diff --git a/soup/screen/mmcifs/denovo0_s20.cif b/soup/screen/mmcifs/denovo0_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..58128baaa99f1ae890ccda6a5aaec8517839aa6b --- /dev/null +++ b/soup/screen/mmcifs/denovo0_s20.cif @@ -0,0 +1,597 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 10 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 11 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 12 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 13 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 14 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 15 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 16 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 21 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 22 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 23 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 24 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 25 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 34 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 35 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 36 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 37 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 38 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 43 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 44 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 45 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 46 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 51 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 52 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 53 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 54 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 55 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 56 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 57 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 58 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 59 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 60 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 61 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 62 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 63 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 64 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 69 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 70 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 71 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 72 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 73 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 74 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 75 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 76 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 77 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 78 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 79 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 80 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 81 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 86 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 87 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 88 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 89 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 90 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 95 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 96 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 97 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 98 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 99 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 100 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 101 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 102 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 103 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 104 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 105 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 106 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 111 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 112 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 113 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 118 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 119 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 120 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 121 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 122 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 123 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 124 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 125 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 130 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 131 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 132 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 133 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 134 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 135 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 136 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 137 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 138 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 139 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 140 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 141 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 146 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 147 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 148 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 149 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 150 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 151 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 152 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 153 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 154 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 155 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 156 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 157 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 158 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 159 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 160 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 161 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 162 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 163 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 164 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 165 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 166 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 167 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 168 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 169 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 170 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 171 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 172 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 173 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 174 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 175 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 176 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 177 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 178 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 179 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 180 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 181 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 182 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 183 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 184 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 185 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 186 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 187 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 192 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 193 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 194 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 195 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 196 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 197 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 198 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 199 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 200 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 201 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 202 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 203 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 204 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 205 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 206 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 207 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 208 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 209 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 210 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 211 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 212 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 213 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 214 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 215 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 216 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 217 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 218 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 219 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 220 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 221 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 222 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 223 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 224 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 225 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 226 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 227 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 228 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 229 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 230 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 231 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 232 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 233 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 234 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 235 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 236 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 237 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 238 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 239 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 240 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 241 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 242 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 243 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 244 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 245 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 246 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 247 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 248 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 249 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 250 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 251 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 252 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 253 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 254 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 255 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 256 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 257 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 258 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 259 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 260 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 261 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 262 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 263 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 264 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 265 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 266 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 267 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 268 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 269 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 270 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 271 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 272 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 273 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 274 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 275 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 276 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 277 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 278 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 279 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 280 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 281 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 282 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 283 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 284 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 285 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 286 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 287 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 288 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 289 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 290 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 291 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 296 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 297 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 298 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 299 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 300 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 301 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 302 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 303 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 304 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 305 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 306 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 307 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 308 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 309 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 310 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 311 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 312 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 313 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 314 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 315 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 316 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 317 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 318 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 319 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 320 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 321 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 322 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 323 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 324 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 325 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 326 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 327 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 328 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 329 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 330 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 331 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 332 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 333 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 334 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 335 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 336 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 337 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 342 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 343 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 344 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 345 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 346 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 347 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 348 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 349 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 350 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 351 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 352 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 353 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 354 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 355 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 356 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 357 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 358 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 359 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 360 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 361 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 362 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 363 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 364 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 365 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 366 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 367 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 368 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 369 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 370 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 371 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 372 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 373 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 374 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 375 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 376 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 377 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 378 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 379 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 380 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 381 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 382 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 383 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 384 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 385 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 386 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 387 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 388 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 389 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 390 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 391 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 392 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 393 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 394 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 395 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 396 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 397 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 398 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 399 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 400 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 401 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 402 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 403 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 404 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 405 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 406 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 407 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 408 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 409 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 410 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 411 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 412 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 413 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 414 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 415 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 416 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 417 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 418 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 419 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 420 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 421 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 422 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 423 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 424 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 425 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 426 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 427 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 428 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 429 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 430 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 431 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 432 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 433 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 434 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 435 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 436 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 437 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 438 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 439 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 440 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 441 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 442 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 443 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 444 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 445 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 446 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 447 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 448 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 449 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 450 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 451 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 452 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 453 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 454 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 455 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 456 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 457 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 458 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 459 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 460 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 461 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 462 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 463 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 464 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 465 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 466 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 467 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 468 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 473 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 474 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 475 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 476 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 477 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 478 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 479 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 480 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 481 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 482 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 483 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 484 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 485 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 486 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 487 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 488 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 489 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 490 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 491 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 492 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 493 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 494 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 495 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 496 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 497 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 498 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 499 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 500 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 501 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 502 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 503 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 504 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 505 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 506 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 507 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 508 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 509 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 510 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 511 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 512 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 513 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 514 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 515 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 516 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 517 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 518 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 519 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 520 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 521 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 522 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 523 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 524 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 525 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 526 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 527 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 528 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 529 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 530 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 531 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 532 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 533 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 534 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 535 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 536 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 537 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 538 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 539 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 540 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 541 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 542 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 543 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 544 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 545 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 546 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 547 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 548 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 549 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 550 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 555 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 556 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 557 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 558 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 559 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 560 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 561 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 562 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 563 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 564 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 565 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 566 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 567 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 568 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 569 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 570 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 571 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 572 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 573 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 574 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 575 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 576 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 577 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 578 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 579 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 580 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 581 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo100_s20.cif b/soup/screen/mmcifs/denovo100_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..7a5f3bb46ed31254138ae89eb1771442f79e7abd --- /dev/null +++ b/soup/screen/mmcifs/denovo100_s20.cif @@ -0,0 +1,586 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 24 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 25 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 26 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 27 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 28 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 37 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 38 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 39 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 40 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 41 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 42 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 43 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 44 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 45 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 46 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 47 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 48 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 49 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 50 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 51 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 52 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 53 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 54 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 55 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 56 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 57 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 58 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 59 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 60 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 61 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 62 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 63 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 64 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 65 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 66 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 67 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 68 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 69 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 70 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 71 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 72 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 73 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 74 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 75 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 76 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 77 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 78 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 79 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 80 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 81 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 82 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 83 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 84 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 85 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 86 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 87 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 88 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 89 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 90 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 91 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 92 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 93 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 94 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 95 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 96 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 97 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 98 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 99 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 100 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 101 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 102 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 103 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 104 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 105 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 106 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 107 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 108 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 109 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 110 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 111 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 112 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 113 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 114 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 115 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 116 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 117 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 118 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 119 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 120 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 121 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 122 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 123 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 124 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 125 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 126 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 127 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 128 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 129 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 130 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 131 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 132 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 133 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 134 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 135 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 136 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 137 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 138 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 139 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 140 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 141 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 142 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 143 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 144 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 145 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 146 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 147 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 148 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 149 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 150 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 151 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 152 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 153 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 154 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 155 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 156 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 157 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 158 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 159 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 160 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 161 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 162 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 163 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 164 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 165 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 166 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 167 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 168 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 169 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 170 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 171 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 172 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 173 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 174 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 175 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 176 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 177 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 178 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 179 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 180 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 181 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 182 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 183 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 184 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 185 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 186 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 187 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 188 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 189 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 190 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 191 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 192 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 193 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 194 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 195 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 196 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 197 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 198 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 199 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 200 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 201 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 202 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 203 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 204 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 205 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 206 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 207 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 208 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 209 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 210 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 211 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 212 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 213 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 214 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 215 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 216 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 217 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 218 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 219 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 220 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 221 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 222 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 223 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 224 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 225 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 226 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 227 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 228 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 229 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 230 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 231 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 232 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 233 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 234 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 235 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 236 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 237 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 238 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 239 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 240 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 241 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 242 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 243 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 244 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 245 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 246 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 247 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 248 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 249 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 250 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 251 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 252 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 253 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 254 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 255 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 256 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 257 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 258 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 259 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 260 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 261 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 262 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 263 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 264 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 265 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 266 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 267 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 268 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 269 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 270 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 271 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 272 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 273 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 274 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 275 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 276 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 277 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 278 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 279 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 280 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 281 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 282 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 283 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 284 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 285 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 290 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 291 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 292 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 293 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 294 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 295 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 296 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 297 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 298 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 299 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 300 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 301 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 302 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 303 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 304 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 305 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 306 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 307 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 308 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 309 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 310 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 311 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 312 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 313 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 314 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 315 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 316 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 317 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 318 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 319 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 320 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 321 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 322 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 323 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 324 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 325 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 326 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 327 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 328 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 329 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 330 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 331 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 332 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 333 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 334 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 335 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 336 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 337 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 338 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 339 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 340 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 341 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 342 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 343 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 344 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 345 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 346 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 347 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 348 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 349 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 350 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 351 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 352 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 353 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 354 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 355 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 356 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 357 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 358 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 359 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 360 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 361 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 362 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 363 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 364 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 365 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 366 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 367 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 368 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 369 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 370 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 371 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 372 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 373 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 374 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 375 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 376 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 377 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 378 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 379 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 380 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 381 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 382 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 383 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 384 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 385 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 386 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 387 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 388 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 389 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 390 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 391 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 392 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 393 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 394 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 395 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 396 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 397 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 398 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 399 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 400 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 401 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 402 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 403 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 404 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 405 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 406 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 407 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 408 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 409 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 410 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 411 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 412 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 413 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 414 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 415 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 416 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 417 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 418 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 419 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 420 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 421 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 422 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 423 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 424 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 425 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 426 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 427 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 428 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 429 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 430 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 431 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 432 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 433 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 434 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 435 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 436 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 437 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 438 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 439 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 440 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 441 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 442 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 443 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 444 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 445 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 446 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 447 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 448 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 449 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 450 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 451 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 452 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 453 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 454 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 455 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 456 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 457 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 458 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 459 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 460 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 461 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 462 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 463 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 464 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 465 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 466 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 467 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 468 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 469 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 470 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 471 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 472 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 473 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 474 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 475 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 476 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 477 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 478 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 479 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 480 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 481 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 482 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 483 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 484 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 485 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 486 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 487 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 488 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 489 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 490 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 491 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 492 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 493 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 494 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 495 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 496 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 497 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 498 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 499 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 500 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 501 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 502 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 503 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 504 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 509 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 510 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 511 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 512 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 517 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 518 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 519 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 524 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 525 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 526 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 527 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 528 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 529 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 530 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 531 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 532 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 533 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 534 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 535 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 536 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 537 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 538 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 539 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 540 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 541 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 542 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 543 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 544 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 545 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 546 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 547 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 548 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 549 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 550 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 551 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 552 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 553 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 554 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 555 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 556 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 557 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 558 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 559 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 560 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 561 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 562 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 563 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 564 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 565 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 566 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 567 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 568 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 569 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 570 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo101_s20.cif b/soup/screen/mmcifs/denovo101_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ceb75f178e22000babe6aef5fdf3b4e9865abed9 --- /dev/null +++ b/soup/screen/mmcifs/denovo101_s20.cif @@ -0,0 +1,566 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 17 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 18 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 19 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 24 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 25 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 26 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 31 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 32 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 33 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 34 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 35 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 36 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 37 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 42 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 47 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 48 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 53 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 54 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 59 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 60 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 61 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 66 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 67 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 68 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 73 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 74 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 75 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 76 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 77 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 82 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 87 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 88 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 89 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 90 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 91 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 92 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 93 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 94 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 99 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 100 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 101 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 102 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 103 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 104 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 105 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 106 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 107 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 108 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 109 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 110 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 115 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 116 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 117 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 118 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 119 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 124 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 125 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 126 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 135 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 136 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 137 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 138 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 139 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 140 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 141 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 150 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 151 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 152 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 153 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 154 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 155 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 156 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 161 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 162 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 163 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 168 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 169 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 170 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 171 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 172 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 181 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 182 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 183 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 184 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 185 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 186 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 187 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 188 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 189 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 190 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 191 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 196 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 197 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 198 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 199 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 200 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 201 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 202 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 203 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 204 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 205 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 206 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 211 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 212 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 213 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 214 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 219 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 220 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 221 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 222 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 223 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 224 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 229 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 230 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 231 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 232 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 233 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 234 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 235 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 236 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 237 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 242 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 243 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 244 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 245 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 246 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 247 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 248 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 249 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 250 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 251 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 252 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 253 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 254 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 255 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 256 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 257 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 258 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 259 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 260 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 261 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 262 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 263 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 264 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 265 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 266 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 267 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 268 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 269 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 274 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 275 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 276 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 281 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 282 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 283 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 284 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 285 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 286 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 287 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 288 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 289 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 290 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 291 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 292 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 293 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 294 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 295 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 296 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 297 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 298 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 303 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 304 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 305 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 306 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 307 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 308 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 309 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 310 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 311 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 312 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 313 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 314 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 315 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 316 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 317 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 318 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 319 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 320 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 321 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 322 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 323 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 324 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 325 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 326 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 327 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 328 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 329 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 330 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 331 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 332 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 333 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 334 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 335 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 336 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 337 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 338 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 339 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 340 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 341 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 342 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 343 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 344 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 345 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 346 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 347 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 348 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 349 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 350 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 351 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 352 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 353 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 354 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 355 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 356 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 357 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 358 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 359 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 360 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 361 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 362 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 363 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 364 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 365 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 366 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 367 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 368 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 369 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 370 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 371 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 372 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 373 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 374 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 375 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 376 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 377 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 378 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 379 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 380 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 381 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 382 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 383 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 384 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 385 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 386 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 387 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 388 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 389 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 390 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 391 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 392 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 393 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 394 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 395 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 396 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 397 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 398 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 399 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 400 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 401 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 402 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 403 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 404 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 405 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 406 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 407 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 412 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 413 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 414 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 415 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 416 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 417 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 418 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 419 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 420 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 421 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 422 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 423 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 424 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 425 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 426 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 427 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 428 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 429 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 430 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 431 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 432 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 433 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 434 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 435 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 436 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 437 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 438 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 439 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 440 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 441 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 442 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 443 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 444 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 445 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 446 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 447 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 448 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 449 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 450 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 451 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 452 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 453 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 454 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 455 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 456 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 457 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 458 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 459 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 460 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 461 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 462 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 463 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 464 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 465 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 466 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 467 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 468 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 469 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 470 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 471 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 472 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 473 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 474 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 475 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 476 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 477 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 478 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 479 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 480 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 481 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 482 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 483 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 484 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 485 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 486 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 487 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 488 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 489 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 490 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 491 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 492 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 493 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 494 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 495 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 496 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 497 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 498 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 499 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 500 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 501 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 502 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 503 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 504 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 505 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 506 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 507 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 508 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 509 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 510 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 511 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 512 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 513 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 514 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 515 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 516 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 517 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 518 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 519 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 520 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 521 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 522 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 523 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 524 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 525 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 526 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 527 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 528 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 529 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 530 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 531 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 532 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 533 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 534 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 535 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 536 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 537 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 538 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 539 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 540 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 541 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 542 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 543 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 544 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 545 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 546 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 547 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 548 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 549 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 550 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo102_s20.cif b/soup/screen/mmcifs/denovo102_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b3d573a0d10080f901c56f7ae7769345714fad28 --- /dev/null +++ b/soup/screen/mmcifs/denovo102_s20.cif @@ -0,0 +1,601 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 13 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 18 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 19 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 20 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 21 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 22 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 27 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 28 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 29 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 34 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 35 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 36 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 37 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 38 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 39 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 40 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 45 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 46 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 47 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 52 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 53 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 54 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 59 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 60 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 61 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 62 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 63 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 68 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 69 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 70 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 71 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 72 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 73 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 74 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 75 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 76 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 81 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 82 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 83 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 84 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 85 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 90 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 91 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 96 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 97 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 98 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 99 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 100 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 105 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 106 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 107 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 108 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 109 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 110 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 111 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 116 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 117 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 118 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 119 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 120 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 121 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 122 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 123 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 124 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 125 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 130 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 131 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 132 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 133 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 134 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 135 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 136 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 137 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 138 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 139 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 140 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 141 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 142 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 143 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 144 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 145 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 146 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 147 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 148 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 149 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 150 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 151 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 152 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 153 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 154 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 155 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 156 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 157 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 158 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 159 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 160 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 161 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 166 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 167 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 168 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 169 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 170 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 171 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 172 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 177 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 178 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 179 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 180 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 181 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 182 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 183 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 184 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 185 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 186 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 187 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 188 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 189 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 194 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 195 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 196 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 197 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 198 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 199 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 200 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 201 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 202 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 203 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 204 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 205 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 206 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 207 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 208 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 209 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 210 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 211 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 212 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 213 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 214 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 219 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 220 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 221 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 226 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 227 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 228 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 233 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 234 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 235 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 240 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 241 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 242 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 243 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 244 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 245 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 246 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 247 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 248 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 249 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 250 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 251 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 252 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 253 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 254 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 255 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 260 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 261 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 262 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 263 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 264 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 265 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 266 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 267 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 268 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 269 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 274 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 275 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 276 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 277 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 278 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 279 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 280 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 281 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 282 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 283 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 284 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 285 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 286 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 287 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 288 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 289 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 290 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 291 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 292 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 293 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 294 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 295 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 296 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 297 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 298 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 299 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 300 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 301 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 302 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 303 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 304 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 305 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 306 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 307 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 308 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 309 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 310 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 311 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 312 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 313 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 314 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 315 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 316 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 317 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 318 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 319 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 320 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 321 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 322 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 323 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 324 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 325 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 326 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 327 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 328 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 329 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 330 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 331 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 332 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 333 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 334 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 335 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 336 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 337 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 338 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 339 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 340 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 341 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 342 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 343 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 344 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 345 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 346 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 347 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 348 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 349 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 350 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 351 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 352 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 353 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 354 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 355 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 356 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 357 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 358 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 359 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 360 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 361 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 362 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 363 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 364 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 365 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 366 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 367 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 368 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 369 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 370 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 371 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 372 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 373 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 374 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 375 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 376 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 377 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 378 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 379 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 380 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 381 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 382 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 383 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 384 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 385 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 386 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 387 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 388 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 389 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 390 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 391 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 392 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 393 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 394 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 395 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 400 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 401 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 402 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 403 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 404 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 405 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 406 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 407 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 408 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 409 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 410 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 411 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 412 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 413 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 414 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 415 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 416 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 417 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 418 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 419 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 420 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 421 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 422 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 423 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 424 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 425 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 426 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 427 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 428 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 429 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 430 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 431 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 432 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 433 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 434 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 435 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 436 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 437 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 438 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 439 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 440 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 441 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 442 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 443 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 444 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 445 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 446 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 447 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 448 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 449 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 450 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 451 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 452 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 453 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 454 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 455 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 456 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 457 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 458 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 459 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 460 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 461 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 462 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 463 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 464 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 465 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 466 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 467 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 468 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 473 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 474 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 475 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 476 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 477 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 478 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 479 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 480 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 481 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 482 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 483 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 484 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 485 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 486 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 487 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 488 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 489 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 490 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 491 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 492 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 493 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 494 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 495 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 496 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 497 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 498 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 499 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 500 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 501 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 502 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 503 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 504 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 505 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 506 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 507 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 508 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 509 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 510 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 511 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 512 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 513 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 514 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 515 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 516 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 517 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 518 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 519 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 520 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 521 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 522 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 523 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 524 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 525 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 526 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 527 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 528 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 529 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 530 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 531 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 532 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 533 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 534 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 535 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 536 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 537 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 538 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 539 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 540 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 541 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 542 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 543 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 548 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 549 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 550 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 551 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 552 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 553 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 554 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 555 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 556 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 557 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 558 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 559 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 560 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 561 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 562 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 563 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 564 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 565 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 566 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 567 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 568 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 569 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 570 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 571 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 572 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 573 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 574 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 575 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 576 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 577 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 578 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 579 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 580 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 581 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 582 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 583 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 584 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 585 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo103_s20.cif b/soup/screen/mmcifs/denovo103_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..93d78c1ad308274b598f401fe2b18a4be5e12fec --- /dev/null +++ b/soup/screen/mmcifs/denovo103_s20.cif @@ -0,0 +1,583 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 11 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 12 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 13 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 14 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 15 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 20 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 21 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 22 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 23 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 28 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 29 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 30 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 31 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 32 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 33 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 34 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 39 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 40 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 41 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 42 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 47 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 48 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 49 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 50 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 51 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 52 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 53 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 54 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 55 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 56 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 57 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 58 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 59 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 64 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 65 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 66 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 71 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 72 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 73 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 74 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 75 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 76 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 77 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 78 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 79 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 80 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 81 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 82 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 83 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 84 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 85 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 86 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 87 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 88 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 89 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 90 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 91 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 92 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 93 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 94 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 95 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 96 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 97 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 98 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 99 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 100 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 101 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 102 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 103 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 104 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 105 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 106 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 107 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 108 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 109 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 110 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 111 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 112 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 113 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 114 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 115 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 116 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 117 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 118 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 119 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 120 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 121 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 122 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 123 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 124 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 125 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 126 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 127 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 128 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 129 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 130 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 131 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 132 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 133 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 134 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 135 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 136 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 137 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 138 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 139 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 140 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 141 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 142 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 143 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 144 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 145 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 146 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 147 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 148 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 149 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 150 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 151 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 152 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 157 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 158 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 159 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 160 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 161 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 162 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 163 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 164 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 165 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 166 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 167 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 168 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 169 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 170 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 171 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 176 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 177 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 178 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 179 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 184 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 185 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 186 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 187 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 188 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 189 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 190 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 191 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 192 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 193 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 194 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 195 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 196 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 197 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 198 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 199 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 200 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 205 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 206 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 207 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 212 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 213 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 214 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 215 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 216 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 217 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 222 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 223 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 224 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 225 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 226 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 227 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 228 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 229 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 230 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 231 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 232 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 233 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 234 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 235 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 236 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 237 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 238 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 239 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 240 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 241 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 242 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 243 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 244 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 245 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 246 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 247 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 248 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 249 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 250 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 251 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 252 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 253 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 254 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 255 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 256 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 257 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 258 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 259 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 260 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 261 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 262 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 263 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 264 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 265 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 266 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 267 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 268 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 269 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 270 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 271 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 272 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 273 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 274 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 275 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 276 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 277 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 278 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 279 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 280 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 281 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 282 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 283 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 284 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 285 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 290 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 291 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 292 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 293 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 294 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 295 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 296 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 297 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 298 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 299 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 300 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 301 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 302 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 303 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 304 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 305 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 310 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 311 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 312 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 313 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 314 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 315 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 316 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 317 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 318 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 319 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 320 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 321 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 322 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 323 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 324 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 325 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 326 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 327 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 328 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 329 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 330 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 331 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 332 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 333 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 334 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 335 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 336 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 337 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 338 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 339 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 340 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 341 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 342 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 343 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 344 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 345 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 346 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 347 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 348 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 349 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 350 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 351 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 352 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 353 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 354 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 355 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 356 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 357 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 358 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 359 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 360 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 361 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 362 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 363 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 364 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 365 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 366 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 367 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 368 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 369 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 370 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 371 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 372 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 373 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 374 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 375 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 376 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 377 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 378 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 379 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 380 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 381 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 382 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 383 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 384 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 385 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 386 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 387 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 388 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 389 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 390 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 391 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 392 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 393 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 394 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 395 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 396 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 397 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 398 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 399 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 400 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 401 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 402 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 403 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 404 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 405 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 406 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 407 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 408 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 409 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 410 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 411 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 412 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 413 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 414 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 415 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 416 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 417 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 418 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 419 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 420 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 421 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 422 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 423 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 424 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 425 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 426 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 427 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 428 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 429 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 430 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 431 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 432 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 433 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 434 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 435 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 436 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 437 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 438 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 439 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 440 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 441 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 442 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 443 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 444 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 445 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 446 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 447 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 448 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 449 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 450 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 451 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 452 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 453 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 454 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 455 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 456 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 457 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 458 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 459 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 460 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 461 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 462 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 463 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 464 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 465 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 466 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 467 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 468 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 469 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 470 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 471 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 472 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 473 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 474 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 475 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 476 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 477 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 478 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 479 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 480 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 481 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 482 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 483 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 484 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 485 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 486 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 487 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 488 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 489 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 490 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 491 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 492 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 493 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 494 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 495 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 496 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 497 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 498 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 503 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 504 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 505 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 506 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 507 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 508 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 509 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 510 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 511 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 512 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 513 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 514 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 515 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 516 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 517 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 518 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 519 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 520 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 521 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 522 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 523 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 524 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 525 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 526 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 527 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 528 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 529 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 530 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 531 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 532 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 533 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 534 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 535 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 536 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 537 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 538 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 539 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 540 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 541 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 542 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 543 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 544 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 545 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 546 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 547 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 548 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 549 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 550 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 551 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 552 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 553 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 554 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 555 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 556 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 557 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 558 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 559 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 560 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 561 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 562 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 563 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 564 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 565 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 566 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 567 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo104_s20.cif b/soup/screen/mmcifs/denovo104_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f12f7ed10e701b6cb983d814b986c6ec37a0b707 --- /dev/null +++ b/soup/screen/mmcifs/denovo104_s20.cif @@ -0,0 +1,609 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 15 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 16 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 17 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 18 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 19 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 20 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 21 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 26 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 31 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 32 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 33 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 34 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 39 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 40 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 41 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 42 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 43 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 48 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 49 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 50 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 51 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 52 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 53 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 54 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 55 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 56 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 57 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 58 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 59 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 64 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 69 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 70 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 75 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 80 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 81 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 82 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 87 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 88 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 89 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 94 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 95 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 96 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 97 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 98 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 103 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 104 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 105 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 106 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 111 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 112 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 117 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 118 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 119 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 120 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 121 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 126 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 127 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 128 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 133 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 134 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 135 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 136 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 137 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 142 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 143 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 144 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 145 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 146 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 147 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 148 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 149 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 150 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 151 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 152 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 153 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 158 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 159 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 160 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 161 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 166 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 167 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 168 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 169 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 170 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 171 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 172 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 173 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 174 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 175 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 176 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 177 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 178 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 179 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 180 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 181 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 186 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 187 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 192 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 193 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 194 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 195 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 196 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 197 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 198 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 199 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 200 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 201 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 202 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 203 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 204 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 205 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 206 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 207 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 208 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 209 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 214 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 215 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 216 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 217 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 218 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 219 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 220 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 221 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 222 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 223 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 224 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 225 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 226 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 227 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 228 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 229 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 230 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 231 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 232 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 233 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 234 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 235 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 240 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 241 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 242 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 247 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 248 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 249 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 250 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 251 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 252 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 253 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 254 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 255 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 256 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 257 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 258 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 259 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 260 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 261 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 262 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 263 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 264 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 269 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 270 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 271 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 272 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 273 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 274 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 275 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 276 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 277 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 282 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 283 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 284 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 285 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 286 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 287 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 288 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 289 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 290 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 291 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 292 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 293 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 294 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 295 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 296 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 297 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 298 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 303 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 304 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 305 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 306 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 307 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 308 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 309 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 310 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 311 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 312 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 313 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 314 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 315 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 316 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 317 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 318 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 319 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 320 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 321 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 326 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 327 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 328 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 329 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 330 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 331 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 332 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 333 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 334 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 335 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 336 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 337 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 338 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 339 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 340 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 341 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 342 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 343 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 344 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 345 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 346 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 347 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 348 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 349 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 350 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 351 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 352 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 353 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 354 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 355 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 360 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 361 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 362 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 363 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 368 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 369 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 370 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 371 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 372 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 373 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 374 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 375 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 376 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 377 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 378 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 379 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 380 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 381 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 382 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 383 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 384 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 385 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 386 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 387 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 388 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 389 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 390 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 391 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 392 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 393 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 394 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 395 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 396 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 397 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 398 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 399 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 400 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 401 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 402 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 403 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 404 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 405 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 406 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 407 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 408 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 409 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 410 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 411 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 412 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 413 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 414 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 415 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 416 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 417 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 418 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 419 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 420 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 421 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 422 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 423 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 424 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 425 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 426 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 427 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 428 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 429 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 430 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 435 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 436 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 437 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 438 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 439 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 440 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 441 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 442 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 443 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 444 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 445 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 446 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 447 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 448 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 449 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 450 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 451 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 452 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 453 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 454 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 455 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 456 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 457 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 458 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 459 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 460 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 461 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 462 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 463 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 464 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 465 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 466 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 467 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 468 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 469 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 470 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 471 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 472 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 473 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 474 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 475 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 476 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 477 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 478 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 479 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 480 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 481 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 482 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 483 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 484 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 485 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 486 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 487 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 492 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 493 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 494 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 495 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 496 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 497 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 498 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 499 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 500 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 501 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 502 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 503 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 504 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 505 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 506 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 507 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 508 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 509 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 510 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 511 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 512 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 513 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 514 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 515 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 516 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 517 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 518 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 519 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 520 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 521 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 522 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 523 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 524 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 525 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 526 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 527 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 528 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 529 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 530 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 531 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 532 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 533 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 534 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 535 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 536 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 537 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 538 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 539 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 540 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 541 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 542 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 543 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 544 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 545 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 546 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 547 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 548 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 549 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 550 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 551 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 552 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 553 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 554 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 555 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 556 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 557 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 558 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 559 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 560 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 561 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 562 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 563 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 564 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 565 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 566 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 567 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 568 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 569 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 570 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 571 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 572 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 573 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 574 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 575 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 576 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 577 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 578 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 579 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 580 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 581 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 582 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 583 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 584 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 585 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 586 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 587 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 588 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 589 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 590 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 591 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 592 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 593 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo105_s20.cif b/soup/screen/mmcifs/denovo105_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..5681302d818f44ace75faa6f9117ac56a7e88855 --- /dev/null +++ b/soup/screen/mmcifs/denovo105_s20.cif @@ -0,0 +1,606 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 20 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 21 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 22 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 27 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 28 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 33 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 34 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 39 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 40 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 41 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 46 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 47 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 48 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 49 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 50 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 51 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 52 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 53 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 54 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 55 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 56 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 57 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 58 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 59 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 60 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 61 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 62 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 63 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 64 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 65 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 66 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 67 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 68 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 73 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 74 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 75 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 76 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 77 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 78 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 79 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 84 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 85 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 86 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 87 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 88 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 93 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 98 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 99 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 100 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 101 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 106 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 107 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 108 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 109 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 110 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 115 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 116 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 117 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 118 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 119 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 120 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 121 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 126 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 127 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 128 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 129 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 130 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 131 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 132 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 133 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 134 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 135 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 136 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 137 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 138 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 139 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 140 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 141 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 142 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 147 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 148 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 149 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 150 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 151 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 156 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 157 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 158 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 159 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 160 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 161 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 162 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 163 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 164 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 165 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 166 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 167 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 168 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 169 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 170 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 171 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 172 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 173 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 174 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 175 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 176 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 177 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 178 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 179 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 180 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 181 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 182 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 183 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 184 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 185 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 186 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 187 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 192 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 193 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 194 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 195 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 196 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 197 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 198 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 199 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 200 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 201 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 202 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 203 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 204 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 205 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 206 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 207 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 208 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 209 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 210 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 211 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 212 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 213 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 214 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 215 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 216 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 217 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 218 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 219 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 220 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 221 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 222 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 223 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 224 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 225 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 226 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 227 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 228 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 229 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 230 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 231 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 232 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 233 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 234 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 235 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 236 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 237 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 238 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 239 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 240 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 241 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 242 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 243 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 244 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 245 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 246 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 247 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 248 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 249 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 250 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 251 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 252 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 253 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 254 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 255 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 256 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 257 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 258 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 259 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 260 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 261 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 262 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 263 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 264 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 265 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 266 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 267 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 268 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 269 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 270 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 271 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 272 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 273 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 274 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 275 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 276 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 277 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 278 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 279 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 280 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 281 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 282 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 283 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 284 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 285 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 286 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 287 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 288 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 289 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 290 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 291 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 292 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 293 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 294 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 295 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 296 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 297 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 298 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 299 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 300 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 301 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 302 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 303 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 304 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 305 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 306 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 307 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 308 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 309 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 310 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 311 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 312 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 313 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 314 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 315 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 316 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 317 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 318 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 319 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 320 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 321 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 322 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 323 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 328 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 329 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 330 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 331 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 332 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 333 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 334 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 335 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 336 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 337 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 338 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 339 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 340 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 341 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 342 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 343 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 344 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 345 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 346 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 347 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 348 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 349 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 350 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 351 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 352 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 353 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 354 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 355 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 356 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 357 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 358 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 359 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 360 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 361 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 362 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 363 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 364 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 365 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 366 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 367 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 368 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 369 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 370 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 371 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 372 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 373 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 374 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 375 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 376 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 377 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 378 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 379 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 380 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 381 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 382 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 383 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 384 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 385 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 386 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 387 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 388 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 389 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 390 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 391 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 392 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 393 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 394 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 395 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 396 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 401 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 402 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 403 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 404 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 405 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 406 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 407 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 408 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 409 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 410 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 411 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 412 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 413 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 414 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 415 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 416 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 417 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 418 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 419 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 420 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 421 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 422 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 423 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 424 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 425 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 426 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 427 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 428 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 429 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 430 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 435 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 436 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 437 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 438 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 439 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 440 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 441 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 442 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 443 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 444 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 445 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 446 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 447 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 448 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 449 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 450 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 451 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 452 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 453 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 454 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 455 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 456 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 457 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 458 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 459 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 460 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 461 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 462 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 463 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 464 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 465 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 466 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 467 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 468 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 469 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 470 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 471 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 472 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 473 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 474 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 475 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 476 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 477 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 478 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 479 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 480 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 481 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 482 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 483 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 484 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 485 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 486 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 487 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 488 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 489 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 490 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 491 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 492 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 493 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 494 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 495 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 496 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 497 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 498 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 499 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 500 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 501 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 502 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 503 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 504 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 505 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 506 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 507 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 508 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 509 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 510 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 511 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 512 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 513 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 514 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 515 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 516 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 517 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 518 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 519 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 520 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 521 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 522 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 523 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 524 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 525 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 526 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 527 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 528 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 529 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 530 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 531 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 532 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 533 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 534 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 535 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 536 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 537 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 538 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 539 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 540 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 541 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 542 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 543 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 544 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 545 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 546 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 547 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 548 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 549 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 550 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 551 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 552 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 553 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 554 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 555 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 556 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 557 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 558 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 559 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 560 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 561 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 562 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 563 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 564 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 565 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 566 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 567 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 568 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 569 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 570 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 571 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 572 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 573 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 574 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 575 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 576 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 577 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 578 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 579 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 580 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 581 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 582 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 583 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 584 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 585 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 586 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 587 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 588 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 589 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 590 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo106_s20.cif b/soup/screen/mmcifs/denovo106_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e7e9a5d8e8dabba9259dc1f463e404303ee07a32 --- /dev/null +++ b/soup/screen/mmcifs/denovo106_s20.cif @@ -0,0 +1,589 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 17 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 22 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 23 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 24 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 25 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 26 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 27 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 28 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 33 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 38 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 43 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 44 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 45 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 46 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 47 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 48 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 49 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 54 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 55 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 56 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 57 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 58 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 59 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 60 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 61 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 62 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 67 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 68 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 69 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 70 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 71 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 72 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 73 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 74 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 75 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 76 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 77 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 82 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 83 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 88 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 89 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 90 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 95 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 96 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 97 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 98 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 99 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 100 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 101 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 106 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 107 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 108 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 113 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 114 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 115 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 116 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 121 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 122 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 123 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 124 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 129 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 130 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 131 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 132 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 133 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 134 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 135 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 136 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 137 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 138 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 139 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 140 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 141 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 142 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 143 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 144 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 145 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 146 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 147 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 148 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 149 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 150 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 151 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 152 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 153 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 154 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 155 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 156 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 157 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 162 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 163 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 164 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 165 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 166 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 167 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 168 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 169 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 170 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 171 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 172 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 173 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 174 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 175 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 176 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 177 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 178 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 179 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 180 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 181 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 182 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 183 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 184 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 189 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 190 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 191 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 192 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 193 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 194 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 195 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 196 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 197 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 198 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 199 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 200 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 201 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 202 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 203 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 204 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 205 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 206 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 207 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 208 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 209 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 210 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 211 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 212 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 213 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 214 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 215 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 216 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 217 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 218 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 219 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 220 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 221 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 222 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 223 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 224 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 225 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 226 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 227 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 228 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 229 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 230 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 231 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 232 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 233 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 234 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 235 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 236 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 237 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 238 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 239 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 240 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 241 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 242 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 243 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 244 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 245 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 246 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 247 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 248 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 249 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 250 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 251 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 252 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 253 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 254 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 255 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 256 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 257 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 258 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 259 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 260 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 261 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 262 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 263 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 264 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 265 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 266 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 267 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 268 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 269 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 270 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 271 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 272 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 273 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 274 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 275 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 276 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 277 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 278 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 279 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 280 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 281 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 282 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 283 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 284 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 285 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 286 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 287 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 288 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 289 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 290 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 291 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 296 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 297 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 298 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 299 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 300 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 301 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 302 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 303 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 304 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 305 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 306 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 307 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 308 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 309 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 310 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 311 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 312 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 313 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 314 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 315 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 316 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 317 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 318 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 319 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 320 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 321 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 322 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 323 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 324 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 329 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 330 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 331 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 332 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 333 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 334 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 335 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 336 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 337 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 338 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 339 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 340 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 341 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 342 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 343 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 344 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 345 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 346 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 347 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 348 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 349 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 350 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 351 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 352 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 353 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 354 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 359 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 360 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 361 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 362 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 363 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 364 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 365 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 366 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 367 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 368 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 369 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 370 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 371 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 372 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 373 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 374 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 375 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 376 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 377 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 378 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 379 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 380 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 381 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 382 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 383 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 384 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 385 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 386 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 387 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 388 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 389 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 390 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 391 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 392 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 393 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 394 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 395 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 396 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 397 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 398 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 399 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 400 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 401 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 402 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 407 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 408 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 409 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 410 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 411 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 412 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 413 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 414 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 415 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 416 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 417 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 418 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 419 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 420 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 421 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 422 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 423 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 424 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 425 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 426 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 427 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 428 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 429 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 430 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 431 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 432 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 433 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 434 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 435 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 436 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 437 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 438 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 439 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 440 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 441 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 442 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 443 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 444 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 445 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 446 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 447 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 448 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 449 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 450 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 451 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 452 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 453 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 454 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 455 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 456 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 457 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 458 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 459 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 460 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 461 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 462 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 463 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 464 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 465 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 466 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 467 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 468 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 469 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 470 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 471 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 472 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 473 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 474 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 475 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 476 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 481 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 482 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 483 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 484 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 485 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 486 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 487 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 488 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 489 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 490 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 491 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 492 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 493 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 494 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 495 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 496 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 497 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 498 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 499 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 500 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 501 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 502 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 503 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 504 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 509 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 510 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 511 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 512 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 513 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 514 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 515 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 516 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 517 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 518 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 519 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 520 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 521 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 522 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 523 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 524 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 525 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 526 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 527 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 528 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 529 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 530 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 531 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 532 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 533 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 534 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 535 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 536 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 537 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 538 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 539 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 540 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 545 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 546 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 547 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 548 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 549 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 550 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 551 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 552 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 553 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 554 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 555 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 556 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 557 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 558 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 559 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 560 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 561 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 562 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 563 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 564 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 565 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 566 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 567 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 568 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 569 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 570 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 571 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 572 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 573 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo107_s20.cif b/soup/screen/mmcifs/denovo107_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..acfd65d1e47d6e6aa1001b0abbbb22f3558d43e1 --- /dev/null +++ b/soup/screen/mmcifs/denovo107_s20.cif @@ -0,0 +1,621 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 17 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 18 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 19 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 20 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 21 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 26 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 27 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 28 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 29 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 30 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 31 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 36 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 37 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 38 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 39 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 44 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 45 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 46 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 47 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 48 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 49 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 50 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 55 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 56 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 57 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 62 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 63 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 64 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 65 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 66 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 71 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 72 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 73 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 78 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 79 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 80 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 85 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 86 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 87 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 88 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 89 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 90 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 91 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 92 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 93 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 94 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 95 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 96 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 97 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 98 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 99 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 100 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 101 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 102 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 103 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 104 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 105 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 106 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 107 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 108 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 109 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 110 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 111 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 112 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 117 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 118 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 119 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 120 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 121 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 122 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 123 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 124 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 125 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 126 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 127 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 128 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 129 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 130 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 131 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 132 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 133 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 134 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 135 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 136 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 137 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 138 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 139 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 140 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 141 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 146 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 147 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 148 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 149 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 150 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 151 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 152 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 153 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 154 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 155 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 156 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 161 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 162 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 163 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 164 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 165 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 166 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 167 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 168 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 169 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 170 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 171 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 172 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 173 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 174 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 175 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 176 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 177 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 178 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 179 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 180 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 181 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 182 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 183 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 184 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 185 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 186 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 187 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 188 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 189 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 190 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 191 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 192 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 193 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 194 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 195 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 200 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 201 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 202 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 203 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 204 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 205 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 206 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 207 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 208 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 209 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 210 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 211 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 212 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 213 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 214 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 215 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 216 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 217 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 218 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 219 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 220 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 221 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 222 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 223 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 224 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 225 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 226 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 227 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 228 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 229 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 230 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 231 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 232 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 233 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 234 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 235 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 236 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 237 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 238 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 239 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 240 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 241 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 242 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 243 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 244 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 245 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 246 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 247 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 248 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 249 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 250 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 251 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 252 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 253 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 254 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 255 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 256 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 257 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 258 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 259 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 260 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 261 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 262 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 263 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 264 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 265 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 266 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 267 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 268 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 269 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 270 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 271 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 272 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 273 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 274 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 275 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 276 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 277 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 278 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 279 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 280 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 281 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 282 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 283 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 284 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 285 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 286 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 287 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 288 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 289 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 290 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 291 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 292 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 293 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 294 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 295 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 296 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 297 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 298 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 299 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 300 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 301 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 302 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 303 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 304 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 305 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 306 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 307 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 308 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 309 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 310 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 311 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 312 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 313 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 314 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 315 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 316 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 317 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 318 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 319 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 320 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 321 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 322 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 323 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 328 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 329 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 330 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 331 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 332 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 333 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 334 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 335 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 336 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 337 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 338 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 339 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 340 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 341 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 342 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 343 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 344 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 345 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 346 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 347 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 348 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 349 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 350 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 351 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 352 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 353 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 354 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 355 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 356 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 357 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 358 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 359 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 360 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 361 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 362 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 363 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 364 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 365 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 366 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 367 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 368 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 369 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 370 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 371 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 372 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 373 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 374 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 375 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 376 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 377 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 378 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 379 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 380 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 381 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 382 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 383 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 384 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 385 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 386 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 387 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 388 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 389 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 390 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 391 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 392 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 393 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 394 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 395 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 396 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 397 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 398 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 399 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 400 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 401 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 402 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 403 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 404 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 405 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 406 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 407 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 408 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 409 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 410 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 411 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 412 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 413 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 414 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 415 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 416 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 417 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 418 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 419 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 420 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 421 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 422 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 423 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 424 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 425 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 426 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 427 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 428 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 429 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 430 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 431 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 432 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 433 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 434 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 435 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 436 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 437 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 438 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 439 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 440 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 441 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 442 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 443 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 444 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 445 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 446 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 447 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 448 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 449 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 450 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 451 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 452 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 453 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 454 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 455 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 456 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 457 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 458 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 459 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 460 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 461 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 462 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 463 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 464 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 465 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 466 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 467 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 468 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 469 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 470 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 471 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 472 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 473 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 474 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 475 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 476 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 477 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 478 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 479 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 480 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 481 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 482 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 483 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 484 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 485 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 486 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 487 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 488 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 489 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 490 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 491 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 492 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 493 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 494 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 495 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 496 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 497 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 498 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 499 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 500 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 501 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 502 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 503 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 504 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 505 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 506 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 507 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 508 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 509 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 510 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 511 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 512 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 513 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 514 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 515 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 516 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 517 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 518 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 519 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 520 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 521 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 522 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 523 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 524 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 525 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 526 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 527 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 528 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 529 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 530 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 531 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 532 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 533 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 534 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 535 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 536 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 537 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 538 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 539 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 540 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 541 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 542 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 543 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 544 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 545 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 546 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 547 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 548 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 549 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 550 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 551 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 552 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 553 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 554 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 555 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 556 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 557 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 558 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 559 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 560 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 561 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 562 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 563 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 564 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 565 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 566 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 567 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 568 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 569 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 570 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 571 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 572 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 573 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 574 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 575 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 576 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 577 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 578 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 579 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 580 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 581 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 582 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 583 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 584 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 585 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 586 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 587 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 588 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 589 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 590 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 591 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 592 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 593 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 594 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 595 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 596 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 597 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 598 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 599 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 600 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 601 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 602 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 603 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 604 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 605 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo108_s20.cif b/soup/screen/mmcifs/denovo108_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..96b9b53cd15f65875d2b92f75179ef92ae7ed5e4 --- /dev/null +++ b/soup/screen/mmcifs/denovo108_s20.cif @@ -0,0 +1,614 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 22 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 27 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 28 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 29 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 30 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 31 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 36 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 37 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 38 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 39 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 44 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 45 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 54 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 55 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 56 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 57 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 58 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 59 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 60 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 65 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 66 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 67 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 72 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 73 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 78 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 79 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 80 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 89 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 90 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 91 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 92 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 93 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 94 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 95 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 100 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 101 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 102 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 103 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 104 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 105 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 106 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 107 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 108 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 113 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 114 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 115 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 116 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 117 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 118 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 119 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 120 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 121 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 122 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 123 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 124 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 125 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 126 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 131 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 132 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 133 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 134 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 139 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 140 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 141 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 146 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 147 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 148 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 149 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 150 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 151 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 156 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 157 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 158 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 159 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 160 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 161 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 162 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 163 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 164 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 165 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 166 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 167 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 168 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 169 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 174 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 175 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 176 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 181 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 182 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 183 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 184 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 185 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 190 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 191 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 192 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 193 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 198 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 199 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 200 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 205 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 206 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 207 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 208 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 209 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 210 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 211 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 212 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 213 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 214 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 215 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 220 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 221 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 226 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 227 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 228 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 233 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 234 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 235 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 236 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 237 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 238 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 239 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 240 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 241 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 242 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 243 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 244 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 245 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 246 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 247 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 248 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 249 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 250 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 251 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 252 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 253 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 254 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 255 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 256 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 257 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 258 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 259 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 260 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 265 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 266 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 267 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 268 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 269 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 274 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 275 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 276 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 277 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 278 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 279 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 280 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 281 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 282 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 283 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 284 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 285 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 286 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 287 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 288 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 289 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 290 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 291 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 292 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 293 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 294 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 295 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 296 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 297 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 298 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 299 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 300 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 301 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 302 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 303 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 304 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 305 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 306 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 307 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 308 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 309 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 310 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 311 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 312 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 313 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 314 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 315 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 316 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 317 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 318 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 319 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 320 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 321 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 322 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 323 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 328 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 329 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 330 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 331 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 332 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 333 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 334 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 335 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 336 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 337 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 338 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 339 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 340 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 341 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 342 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 343 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 344 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 345 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 346 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 347 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 348 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 349 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 350 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 351 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 352 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 353 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 354 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 355 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 356 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 357 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 362 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 363 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 364 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 369 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 370 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 371 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 372 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 373 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 378 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 379 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 380 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 381 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 382 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 383 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 384 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 385 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 386 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 387 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 388 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 389 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 390 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 391 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 392 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 393 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 394 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 395 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 396 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 397 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 398 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 399 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 400 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 401 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 402 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 403 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 404 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 405 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 406 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 407 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 408 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 409 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 410 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 411 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 412 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 413 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 414 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 415 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 416 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 417 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 418 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 419 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 420 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 421 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 422 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 423 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 424 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 425 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 426 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 427 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 428 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 429 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 430 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 431 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 432 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 433 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 434 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 435 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 436 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 437 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 438 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 443 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 444 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 445 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 446 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 447 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 448 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 449 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 450 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 451 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 452 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 453 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 454 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 455 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 456 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 457 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 458 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 459 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 460 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 461 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 462 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 463 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 464 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 465 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 466 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 467 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 468 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 469 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 470 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 471 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 472 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 473 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 474 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 475 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 476 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 477 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 478 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 479 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 480 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 481 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 482 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 483 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 484 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 485 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 486 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 487 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 488 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 489 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 490 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 491 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 492 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 493 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 494 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 495 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 496 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 497 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 498 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 499 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 500 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 501 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 502 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 503 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 504 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 505 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 506 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 507 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 508 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 509 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 510 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 511 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 512 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 513 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 514 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 515 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 516 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 517 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 518 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 519 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 520 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 521 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 522 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 523 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 524 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 525 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 526 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 527 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 528 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 529 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 530 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 531 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 532 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 533 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 534 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 535 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 536 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 537 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 538 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 539 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 540 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 541 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 542 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 543 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 544 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 545 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 546 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 547 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 548 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 549 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 550 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 551 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 552 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 553 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 554 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 555 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 556 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 557 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 558 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 559 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 560 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 561 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 562 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 563 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 564 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 565 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 566 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 567 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 568 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 569 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 570 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 571 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 572 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 573 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 574 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 575 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 576 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 577 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 578 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 579 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 580 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 581 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 582 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 583 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 584 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 585 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 586 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 587 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 588 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 589 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 590 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 591 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 592 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 593 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 594 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 595 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 596 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 597 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 598 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo109_s20.cif b/soup/screen/mmcifs/denovo109_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..21f06558e4c7437cf0c5c104c50fd168f41e9154 --- /dev/null +++ b/soup/screen/mmcifs/denovo109_s20.cif @@ -0,0 +1,594 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 13 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 14 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 15 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 16 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 21 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 22 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 23 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 28 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 29 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 34 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 39 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 40 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 41 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 42 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 43 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 44 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 45 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 46 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 47 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 48 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 49 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 50 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 51 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 52 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 53 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 54 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 55 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 56 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 57 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 58 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 59 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 60 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 61 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 62 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 67 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 68 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 69 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 70 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 71 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 72 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 73 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 78 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 79 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 80 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 81 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 86 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 87 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 88 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 89 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 90 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 91 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 96 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 97 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 98 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 99 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 100 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 105 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 106 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 107 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 108 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 109 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 110 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 111 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 112 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 113 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 114 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 115 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 116 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 117 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 118 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 119 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 120 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 125 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 126 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 127 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 128 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 133 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 134 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 135 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 140 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 141 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 142 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 147 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 148 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 149 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 150 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 155 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 156 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 157 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 158 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 159 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 160 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 161 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 162 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 163 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 164 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 165 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 166 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 167 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 168 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 169 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 170 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 171 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 172 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 173 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 174 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 175 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 176 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 177 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 178 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 179 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 180 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 181 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 182 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 187 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 188 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 189 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 190 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 191 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 192 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 193 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 194 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 195 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 196 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 197 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 198 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 199 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 200 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 201 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 202 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 203 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 204 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 205 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 206 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 207 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 208 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 209 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 210 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 211 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 212 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 213 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 214 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 215 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 216 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 217 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 218 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 219 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 220 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 221 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 222 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 223 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 224 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 225 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 226 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 227 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 228 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 229 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 230 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 231 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 232 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 233 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 234 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 235 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 236 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 237 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 238 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 239 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 240 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 241 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 242 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 243 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 244 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 245 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 246 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 247 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 248 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 249 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 250 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 251 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 252 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 253 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 254 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 255 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 256 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 257 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 258 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 259 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 260 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 261 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 262 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 263 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 264 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 265 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 266 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 267 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 268 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 269 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 270 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 271 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 272 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 273 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 274 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 275 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 276 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 277 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 278 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 279 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 280 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 281 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 282 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 283 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 284 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 285 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 290 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 291 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 292 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 293 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 294 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 295 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 296 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 297 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 298 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 299 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 300 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 301 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 302 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 303 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 304 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 305 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 310 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 311 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 312 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 313 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 314 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 315 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 316 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 317 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 318 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 319 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 320 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 321 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 322 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 323 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 324 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 325 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 326 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 327 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 328 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 329 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 330 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 331 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 332 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 333 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 334 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 335 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 336 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 337 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 338 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 339 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 340 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 341 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 342 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 343 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 344 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 345 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 346 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 347 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 348 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 349 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 350 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 351 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 352 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 353 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 354 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 355 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 356 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 357 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 358 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 359 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 360 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 361 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 362 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 363 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 364 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 365 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 366 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 367 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 368 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 369 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 370 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 371 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 372 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 373 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 374 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 375 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 376 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 377 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 378 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 379 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 380 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 381 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 382 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 383 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 384 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 385 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 386 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 387 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 388 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 389 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 390 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 391 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 392 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 393 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 394 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 395 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 396 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 397 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 398 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 399 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 400 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 401 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 402 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 403 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 404 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 405 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 406 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 407 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 412 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 413 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 414 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 415 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 416 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 417 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 418 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 419 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 420 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 421 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 422 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 423 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 424 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 425 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 426 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 427 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 428 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 429 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 430 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 431 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 432 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 433 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 434 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 435 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 436 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 437 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 438 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 439 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 440 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 441 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 442 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 443 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 444 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 445 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 446 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 447 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 448 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 449 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 454 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 455 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 456 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 457 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 458 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 459 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 460 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 461 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 462 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 463 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 464 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 465 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 466 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 467 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 468 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 469 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 470 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 471 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 472 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 473 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 474 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 475 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 476 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 481 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 482 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 483 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 484 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 485 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 486 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 487 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 488 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 489 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 490 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 491 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 492 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 493 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 494 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 495 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 496 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 497 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 498 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 499 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 500 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 501 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 502 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 503 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 504 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 505 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 506 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 507 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 508 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 509 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 510 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 511 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 512 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 513 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 514 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 515 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 516 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 517 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 518 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 519 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 520 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 521 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 522 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 523 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 524 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 525 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 526 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 527 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 528 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 529 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 530 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 531 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 532 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 533 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 534 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 535 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 536 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 537 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 538 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 539 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 540 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 541 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 542 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 543 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 544 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 545 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 546 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 547 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 548 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 549 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 554 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 555 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 556 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 561 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 562 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 563 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 564 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 565 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 566 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 567 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 568 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 569 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 570 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 571 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 572 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 573 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 574 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 575 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 576 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 577 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 578 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo10_s20.cif b/soup/screen/mmcifs/denovo10_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..80c89788ca29061876aa46463bb7bd7c2c153343 --- /dev/null +++ b/soup/screen/mmcifs/denovo10_s20.cif @@ -0,0 +1,616 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 12 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 13 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 14 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 19 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 20 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 25 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 26 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 31 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 32 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 33 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 38 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 39 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 40 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 41 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 42 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 43 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 44 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 45 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 46 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 47 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 52 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 53 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 54 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 55 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 56 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 57 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 58 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 63 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 64 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 65 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 70 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 75 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 76 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 77 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 78 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 79 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 84 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 89 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 90 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 91 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 92 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 93 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 98 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 103 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 104 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 105 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 106 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 107 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 116 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 117 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 118 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 119 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 120 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 121 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 122 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 123 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 124 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 125 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 126 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 127 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 128 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 133 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 134 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 139 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 140 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 141 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 142 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 143 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 144 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 145 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 146 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 147 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 148 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 149 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 150 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 151 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 152 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 153 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 154 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 155 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 156 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 157 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 158 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 159 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 160 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 161 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 162 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 163 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 164 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 165 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 166 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 167 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 168 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 169 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 170 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 171 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 172 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 173 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 174 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 175 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 176 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 177 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 178 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 179 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 180 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 181 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 182 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 183 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 184 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 185 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 186 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 187 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 188 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 189 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 190 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 191 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 192 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 197 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 198 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 199 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 200 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 201 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 206 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 207 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 208 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 209 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 210 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 211 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 212 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 213 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 214 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 215 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 216 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 217 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 218 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 219 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 220 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 221 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 222 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 223 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 224 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 225 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 226 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 227 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 228 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 229 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 230 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 231 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 232 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 233 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 234 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 235 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 236 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 237 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 238 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 239 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 240 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 241 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 242 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 243 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 248 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 249 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 250 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 251 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 252 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 253 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 254 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 259 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 260 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 261 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 262 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 263 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 264 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 265 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 266 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 267 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 268 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 269 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 270 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 275 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 276 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 277 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 278 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 279 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 284 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 285 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 286 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 287 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 288 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 289 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 290 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 291 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 292 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 293 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 294 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 295 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 296 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 297 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 298 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 299 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 300 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 301 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 302 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 303 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 304 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 305 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 306 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 307 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 308 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 309 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 310 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 311 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 312 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 313 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 314 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 315 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 316 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 317 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 318 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 319 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 320 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 321 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 322 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 323 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 324 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 325 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 326 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 327 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 328 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 329 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 330 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 331 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 332 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 333 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 334 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 335 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 336 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 337 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 338 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 339 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 340 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 341 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 342 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 343 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 344 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 345 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 346 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 347 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 348 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 349 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 350 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 351 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 352 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 353 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 354 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 355 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 356 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 357 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 358 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 359 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 360 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 361 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 362 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 363 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 368 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 369 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 370 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 371 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 372 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 373 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 374 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 375 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 376 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 377 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 378 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 379 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 380 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 381 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 382 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 383 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 384 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 385 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 386 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 387 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 388 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 389 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 390 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 391 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 392 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 393 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 394 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 395 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 396 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 397 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 398 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 399 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 400 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 401 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 402 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 403 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 404 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 405 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 406 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 411 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 412 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 413 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 414 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 415 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 416 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 417 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 418 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 419 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 420 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 421 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 422 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 423 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 424 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 425 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 426 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 427 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 428 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 429 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 430 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 431 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 432 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 433 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 434 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 435 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 436 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 437 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 438 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 439 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 440 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 441 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 442 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 443 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 444 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 445 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 446 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 447 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 448 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 449 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 450 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 451 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 452 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 453 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 454 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 455 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 456 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 457 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 458 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 459 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 460 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 461 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 462 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 467 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 468 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 469 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 470 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 471 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 472 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 473 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 474 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 475 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 476 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 477 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 478 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 479 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 480 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 481 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 482 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 483 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 484 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 485 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 486 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 487 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 488 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 489 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 490 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 491 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 492 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 493 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 494 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 495 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 496 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 497 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 498 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 499 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 500 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 501 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 502 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 503 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 504 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 505 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 506 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 507 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 508 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 509 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 510 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 511 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 512 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 513 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 514 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 515 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 516 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 517 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 518 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 519 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 520 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 521 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 522 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 523 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 524 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 525 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 526 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 527 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 528 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 529 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 530 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 531 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 532 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 533 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 534 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 535 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 536 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 537 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 538 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 539 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 540 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 541 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 542 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 543 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 544 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 545 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 546 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 547 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 548 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 549 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 550 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 551 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 552 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 553 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 554 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 555 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 556 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 557 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 558 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 559 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 560 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 561 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 562 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 563 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 564 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 565 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 566 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 567 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 568 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 569 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 570 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 571 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 572 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 573 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 574 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 575 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 576 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 577 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 578 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 579 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 584 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 585 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 586 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 587 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 588 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 589 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 590 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 591 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 592 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 593 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 594 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 595 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 596 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 597 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 598 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 599 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 600 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo110_s20.cif b/soup/screen/mmcifs/denovo110_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ea7c3203cfad9803a699ca1288ce8ce000ec7fdf --- /dev/null +++ b/soup/screen/mmcifs/denovo110_s20.cif @@ -0,0 +1,596 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 18 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 19 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 20 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 21 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 26 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 27 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 28 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 33 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 34 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 35 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 40 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 41 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 42 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 43 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 44 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 45 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 46 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 51 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 52 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 57 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 58 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 59 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 60 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 69 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 70 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 71 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 72 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 73 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 78 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 79 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 80 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 81 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 82 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 87 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 88 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 89 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 90 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 91 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 92 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 93 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 98 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 99 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 100 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 101 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 102 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 103 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 104 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 105 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 106 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 111 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 112 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 113 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 118 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 119 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 120 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 121 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 122 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 127 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 128 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 129 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 130 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 131 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 132 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 133 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 138 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 139 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 140 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 141 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 146 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 147 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 148 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 149 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 150 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 151 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 152 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 153 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 154 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 155 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 156 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 157 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 158 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 159 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 160 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 161 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 166 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 167 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 168 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 169 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 170 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 171 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 172 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 173 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 174 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 175 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 176 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 177 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 178 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 179 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 180 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 181 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 182 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 183 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 184 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 185 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 186 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 187 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 188 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 189 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 190 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 191 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 192 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 193 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 194 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 195 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 196 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 197 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 198 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 199 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 200 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 201 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 202 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 203 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 204 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 205 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 206 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 207 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 208 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 209 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 214 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 215 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 216 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 217 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 218 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 219 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 220 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 225 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 226 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 227 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 228 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 229 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 230 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 231 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 232 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 233 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 234 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 235 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 236 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 237 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 238 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 239 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 240 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 241 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 242 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 243 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 244 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 245 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 246 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 247 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 248 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 249 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 250 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 251 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 252 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 253 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 254 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 255 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 256 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 257 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 258 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 259 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 260 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 261 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 262 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 263 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 264 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 265 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 266 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 267 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 268 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 269 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 274 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 275 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 276 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 277 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 278 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 279 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 280 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 281 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 282 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 283 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 284 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 285 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 286 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 287 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 288 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 289 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 290 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 291 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 292 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 293 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 294 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 295 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 296 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 297 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 298 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 299 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 300 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 301 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 302 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 303 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 304 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 305 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 306 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 307 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 308 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 309 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 310 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 311 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 312 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 313 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 314 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 315 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 316 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 317 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 318 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 319 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 320 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 321 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 322 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 323 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 324 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 325 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 326 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 327 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 328 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 329 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 330 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 331 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 332 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 333 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 334 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 335 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 336 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 337 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 342 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 343 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 344 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 345 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 346 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 347 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 348 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 349 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 350 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 351 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 352 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 353 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 354 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 359 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 360 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 361 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 362 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 363 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 364 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 365 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 366 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 367 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 368 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 369 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 370 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 375 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 376 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 377 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 378 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 379 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 380 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 381 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 382 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 383 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 384 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 385 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 386 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 387 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 388 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 389 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 390 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 391 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 392 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 393 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 394 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 395 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 396 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 397 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 398 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 399 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 400 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 401 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 402 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 403 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 404 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 405 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 406 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 407 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 408 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 409 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 410 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 411 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 412 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 413 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 414 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 415 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 416 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 417 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 418 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 419 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 420 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 421 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 422 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 423 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 424 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 425 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 426 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 427 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 428 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 429 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 430 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 431 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 432 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 433 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 434 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 435 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 440 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 441 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 442 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 443 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 444 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 445 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 446 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 447 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 448 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 449 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 450 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 451 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 452 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 453 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 454 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 455 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 456 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 457 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 458 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 459 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 460 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 461 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 462 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 463 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 464 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 465 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 466 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 467 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 468 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 469 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 470 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 471 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 472 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 473 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 474 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 475 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 476 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 477 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 478 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 479 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 480 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 481 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 482 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 483 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 484 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 485 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 486 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 487 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 488 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 489 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 490 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 491 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 492 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 493 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 494 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 495 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 496 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 497 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 498 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 499 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 500 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 501 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 502 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 503 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 504 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 505 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 506 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 507 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 508 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 509 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 510 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 511 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 512 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 513 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 514 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 515 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 516 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 517 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 518 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 519 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 520 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 521 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 522 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 523 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 524 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 525 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 526 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 527 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 528 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 529 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 530 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 531 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 532 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 533 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 534 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 535 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 536 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 541 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 542 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 543 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 548 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 549 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 550 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 551 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 552 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 553 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 554 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 555 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 556 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 557 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 558 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 559 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 560 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 561 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 562 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 563 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 564 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 565 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 566 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 567 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 568 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 569 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 570 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 571 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 572 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 573 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 574 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 575 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 576 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 577 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 578 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 579 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 580 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo111_s20.cif b/soup/screen/mmcifs/denovo111_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..49d34a9fd01ca91d9eaac4215d5ad151bb7b1b99 --- /dev/null +++ b/soup/screen/mmcifs/denovo111_s20.cif @@ -0,0 +1,615 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 12 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 13 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 14 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 19 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 20 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 25 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 26 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 27 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 32 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 33 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 34 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 35 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 36 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 37 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 38 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 43 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 44 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 45 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 46 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 47 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 52 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 53 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 58 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 59 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 60 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 65 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 66 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 67 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 68 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 69 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 70 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 71 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 72 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 73 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 74 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 75 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 76 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 81 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 82 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 87 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 88 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 89 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 94 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 95 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 96 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 97 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 98 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 103 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 104 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 109 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 110 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 111 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 112 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 113 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 118 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 119 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 120 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 121 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 122 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 123 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 124 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 125 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 126 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 127 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 128 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 129 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 130 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 131 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 136 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 137 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 138 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 139 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 140 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 141 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 142 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 143 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 144 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 145 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 146 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 147 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 148 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 149 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 154 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 155 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 156 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 157 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 158 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 159 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 160 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 161 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 162 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 163 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 164 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 165 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 166 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 167 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 168 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 169 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 170 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 171 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 172 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 173 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 174 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 179 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 180 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 181 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 190 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 191 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 192 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 193 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 194 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 195 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 196 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 197 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 198 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 199 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 200 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 201 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 202 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 203 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 204 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 205 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 206 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 207 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 208 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 209 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 210 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 211 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 212 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 213 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 214 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 215 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 216 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 217 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 218 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 219 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 220 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 221 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 222 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 223 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 224 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 225 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 226 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 227 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 228 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 229 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 230 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 231 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 232 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 233 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 234 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 235 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 236 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 237 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 238 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 239 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 240 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 241 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 242 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 243 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 244 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 245 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 246 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 247 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 248 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 249 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 250 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 251 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 252 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 253 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 254 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 255 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 260 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 261 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 262 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 263 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 264 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 265 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 266 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 267 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 268 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 269 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 270 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 271 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 272 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 273 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 274 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 275 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 276 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 277 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 278 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 279 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 280 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 281 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 282 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 283 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 284 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 285 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 286 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 287 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 288 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 289 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 290 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 291 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 292 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 293 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 294 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 295 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 296 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 297 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 298 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 299 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 300 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 301 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 302 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 303 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 304 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 305 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 306 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 307 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 308 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 309 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 310 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 311 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 316 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 317 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 318 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 319 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 320 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 321 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 322 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 323 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 324 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 325 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 326 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 327 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 328 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 329 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 330 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 331 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 332 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 333 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 334 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 335 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 336 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 337 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 338 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 339 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 340 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 341 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 342 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 343 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 344 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 345 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 346 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 347 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 348 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 349 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 350 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 351 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 352 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 353 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 354 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 355 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 356 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 357 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 358 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 359 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 360 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 361 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 362 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 363 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 364 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 365 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 366 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 367 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 368 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 369 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 370 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 371 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 372 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 373 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 374 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 375 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 376 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 377 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 378 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 379 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 380 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 381 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 382 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 383 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 384 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 385 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 386 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 387 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 388 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 389 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 390 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 391 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 392 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 393 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 394 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 395 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 400 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 401 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 402 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 403 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 404 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 405 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 406 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 407 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 408 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 409 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 410 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 411 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 412 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 413 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 414 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 415 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 416 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 417 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 418 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 419 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 420 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 421 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 422 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 423 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 424 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 425 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 426 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 427 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 428 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 429 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 430 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 431 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 432 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 433 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 434 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 435 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 436 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 437 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 438 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 439 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 440 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 441 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 442 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 443 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 444 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 445 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 446 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 447 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 448 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 449 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 450 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 451 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 452 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 453 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 454 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 455 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 456 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 457 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 458 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 459 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 460 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 461 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 462 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 463 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 464 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 465 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 466 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 467 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 468 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 473 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 474 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 475 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 476 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 477 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 478 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 479 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 480 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 481 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 482 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 483 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 484 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 485 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 486 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 487 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 488 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 489 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 490 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 491 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 492 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 493 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 494 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 495 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 496 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 497 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 498 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 499 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 500 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 501 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 502 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 503 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 504 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 505 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 506 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 507 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 508 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 509 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 510 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 511 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 512 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 513 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 514 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 515 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 516 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 517 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 518 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 519 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 520 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 521 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 522 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 523 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 524 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 525 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 526 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 527 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 528 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 529 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 530 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 531 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 532 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 533 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 534 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 535 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 536 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 537 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 538 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 539 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 540 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 541 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 542 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 543 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 544 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 545 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 546 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 547 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 548 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 549 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 550 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 551 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 552 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 553 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 554 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 555 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 556 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 557 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 558 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 559 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 560 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 561 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 562 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 563 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 564 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 565 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 566 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 571 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 572 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 573 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 574 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 575 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 576 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 577 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 578 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 579 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 580 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 581 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 582 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 583 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 584 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 585 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 586 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 587 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 588 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 589 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 590 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 591 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 592 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 593 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 594 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 595 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 596 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 597 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 598 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 599 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo112_s20.cif b/soup/screen/mmcifs/denovo112_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b552ac332730036f8008506e413fbca27b4f4b36 --- /dev/null +++ b/soup/screen/mmcifs/denovo112_s20.cif @@ -0,0 +1,586 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 15 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 16 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 17 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 18 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 23 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 24 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 25 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 30 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 31 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 32 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 33 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 38 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 39 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 40 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 45 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 46 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 47 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 48 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 49 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 54 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 55 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 56 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 61 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 62 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 63 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 68 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 69 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 70 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 75 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 76 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 81 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 82 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 83 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 84 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 85 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 90 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 91 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 92 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 93 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 94 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 95 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 96 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 97 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 98 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 99 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 100 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 101 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 102 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 103 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 104 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 105 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 106 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 107 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 108 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 109 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 110 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 115 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 116 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 121 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 122 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 123 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 124 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 129 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 130 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 131 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 132 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 133 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 134 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 135 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 136 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 137 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 138 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 139 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 140 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 141 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 142 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 143 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 144 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 145 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 146 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 147 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 148 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 149 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 150 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 151 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 156 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 161 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 162 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 163 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 168 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 169 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 174 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 175 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 176 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 177 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 178 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 183 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 184 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 185 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 186 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 187 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 188 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 193 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 194 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 195 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 196 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 197 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 198 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 199 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 200 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 201 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 202 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 203 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 204 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 205 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 206 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 207 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 208 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 209 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 210 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 211 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 212 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 213 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 214 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 215 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 216 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 221 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 222 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 223 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 224 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 229 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 230 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 231 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 232 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 233 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 234 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 235 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 236 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 237 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 238 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 239 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 240 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 241 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 242 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 247 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 252 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 253 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 254 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 255 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 256 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 257 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 258 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 259 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 260 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 261 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 262 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 263 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 264 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 265 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 266 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 267 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 268 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 269 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 270 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 275 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 276 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 277 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 278 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 279 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 284 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 285 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 286 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 287 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 288 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 289 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 290 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 291 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 292 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 293 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 294 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 295 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 296 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 297 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 298 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 299 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 300 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 301 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 302 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 303 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 304 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 305 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 306 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 307 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 308 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 309 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 310 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 311 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 312 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 313 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 314 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 315 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 316 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 317 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 318 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 319 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 320 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 321 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 322 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 323 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 324 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 325 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 326 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 327 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 328 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 329 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 330 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 331 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 332 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 333 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 334 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 335 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 336 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 337 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 338 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 339 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 340 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 341 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 342 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 343 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 344 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 345 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 346 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 347 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 348 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 349 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 350 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 351 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 352 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 353 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 354 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 355 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 356 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 357 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 358 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 359 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 360 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 361 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 362 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 363 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 368 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 369 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 370 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 371 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 372 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 373 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 374 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 375 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 376 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 377 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 378 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 379 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 380 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 381 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 382 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 383 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 384 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 385 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 386 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 387 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 388 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 389 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 390 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 391 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 392 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 393 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 394 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 395 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 396 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 397 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 398 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 399 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 400 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 401 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 402 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 403 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 404 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 405 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 406 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 411 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 412 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 413 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 414 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 415 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 416 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 417 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 418 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 419 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 420 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 421 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 422 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 423 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 424 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 425 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 426 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 427 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 428 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 429 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 430 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 431 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 432 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 433 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 434 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 435 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 436 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 437 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 438 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 439 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 440 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 441 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 442 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 443 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 444 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 445 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 446 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 447 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 448 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 449 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 450 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 451 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 452 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 453 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 454 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 455 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 456 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 457 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 458 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 459 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 460 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 461 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 462 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 463 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 464 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 465 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 466 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 467 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 468 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 469 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 470 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 471 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 472 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 473 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 474 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 475 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 476 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 477 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 478 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 479 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 480 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 481 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 482 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 483 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 484 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 485 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 486 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 487 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 488 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 489 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 490 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 491 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 492 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 493 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 494 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 495 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 496 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 497 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 498 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 499 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 500 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 501 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 502 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 503 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 504 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 505 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 506 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 507 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 508 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 509 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 510 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 511 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 512 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 517 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 518 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 519 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 524 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 525 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 526 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 527 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 528 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 533 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 534 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 535 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 536 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 537 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 538 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 539 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 540 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 541 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 542 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 543 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 544 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 545 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 546 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 547 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 548 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 549 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 550 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 551 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 552 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 553 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 554 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 555 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 556 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 557 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 558 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 559 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 560 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 561 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 562 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 563 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 564 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 565 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 566 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 567 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 568 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 569 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 570 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo113_s20.cif b/soup/screen/mmcifs/denovo113_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..17975c3e13a1f63b14b87ef552ad276b6359733d --- /dev/null +++ b/soup/screen/mmcifs/denovo113_s20.cif @@ -0,0 +1,595 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 13 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 18 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 19 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 20 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 25 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 26 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 27 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 32 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 33 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 38 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 39 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 40 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 41 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 42 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 47 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 48 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 49 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 50 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 51 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 56 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 57 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 58 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 59 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 64 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 73 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 74 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 75 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 76 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 77 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 82 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 83 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 84 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 89 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 94 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 95 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 96 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 97 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 98 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 99 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 100 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 101 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 102 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 107 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 108 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 109 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 110 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 111 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 112 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 113 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 118 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 119 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 120 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 125 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 126 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 127 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 132 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 133 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 134 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 135 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 136 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 137 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 138 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 139 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 140 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 141 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 142 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 143 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 148 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 149 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 150 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 151 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 152 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 157 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 158 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 159 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 164 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 165 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 166 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 167 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 168 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 169 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 170 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 171 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 172 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 173 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 174 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 175 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 176 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 177 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 178 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 179 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 180 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 181 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 182 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 183 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 184 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 185 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 186 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 187 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 188 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 193 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 194 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 195 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 196 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 197 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 198 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 199 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 200 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 201 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 202 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 203 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 204 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 205 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 206 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 207 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 208 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 209 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 210 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 211 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 212 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 213 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 214 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 215 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 216 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 217 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 218 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 219 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 220 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 221 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 222 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 223 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 224 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 229 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 230 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 231 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 232 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 237 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 238 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 239 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 240 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 241 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 242 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 243 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 244 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 245 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 246 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 247 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 248 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 249 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 250 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 251 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 252 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 253 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 254 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 255 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 256 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 257 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 258 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 259 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 260 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 261 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 262 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 263 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 264 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 265 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 266 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 267 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 268 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 269 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 270 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 271 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 272 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 273 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 274 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 275 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 276 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 277 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 278 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 279 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 280 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 281 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 282 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 283 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 284 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 285 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 286 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 287 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 288 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 289 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 290 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 291 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 292 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 293 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 294 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 295 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 296 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 297 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 298 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 299 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 300 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 301 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 302 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 303 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 304 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 305 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 306 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 307 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 308 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 309 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 310 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 311 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 312 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 313 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 314 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 315 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 316 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 317 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 318 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 319 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 320 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 321 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 322 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 323 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 324 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 325 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 326 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 327 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 328 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 329 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 330 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 331 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 332 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 333 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 334 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 335 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 336 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 337 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 338 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 339 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 340 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 341 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 342 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 343 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 344 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 345 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 346 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 347 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 348 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 349 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 350 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 351 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 352 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 353 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 354 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 355 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 356 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 357 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 358 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 359 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 360 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 361 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 362 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 363 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 364 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 365 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 366 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 367 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 368 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 369 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 370 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 371 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 372 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 373 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 374 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 375 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 376 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 377 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 378 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 379 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 384 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 385 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 386 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 387 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 388 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 389 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 390 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 391 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 392 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 393 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 394 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 399 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 400 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 401 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 402 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 403 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 404 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 405 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 406 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 407 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 408 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 409 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 410 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 411 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 412 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 413 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 414 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 415 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 416 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 417 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 418 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 419 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 420 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 421 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 422 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 423 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 424 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 425 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 426 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 427 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 428 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 429 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 430 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 431 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 432 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 433 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 434 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 435 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 436 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 437 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 438 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 439 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 440 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 441 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 442 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 447 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 448 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 449 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 450 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 451 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 452 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 453 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 454 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 455 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 456 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 457 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 458 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 459 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 460 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 461 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 462 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 463 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 464 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 465 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 466 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 467 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 468 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 469 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 470 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 471 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 472 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 473 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 474 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 475 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 476 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 477 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 478 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 479 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 480 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 481 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 482 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 483 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 484 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 485 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 486 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 487 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 488 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 489 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 490 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 491 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 492 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 493 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 494 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 495 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 496 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 497 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 498 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 499 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 500 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 501 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 502 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 503 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 504 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 505 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 506 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 507 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 508 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 509 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 510 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 511 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 512 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 513 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 514 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 515 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 516 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 517 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 518 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 519 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 520 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 521 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 522 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 523 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 524 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 525 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 526 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 527 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 528 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 529 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 530 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 531 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 532 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 533 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 534 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 535 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 536 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 537 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 538 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 539 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 540 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 545 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 546 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 547 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 548 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 549 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 550 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 551 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 552 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 553 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 554 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 555 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 556 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 557 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 558 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 559 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 560 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 561 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 562 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 563 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 564 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 565 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 566 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 567 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 568 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 569 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 570 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 571 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 572 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 573 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 574 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 575 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 576 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 577 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 578 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 579 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo114_s20.cif b/soup/screen/mmcifs/denovo114_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..fd19edcfc861f98e4ef6c5f19395eddfa14ae90a --- /dev/null +++ b/soup/screen/mmcifs/denovo114_s20.cif @@ -0,0 +1,639 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 14 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 15 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 16 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 17 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 18 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 19 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 20 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 21 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 22 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 23 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 24 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 25 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 26 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 27 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 28 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 29 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 30 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 31 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 32 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 33 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 34 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 35 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 36 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 37 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 38 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 39 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 40 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 41 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 42 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 43 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 44 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 45 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 46 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 47 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 48 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 49 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 50 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 51 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 52 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 53 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 54 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 59 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 60 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 61 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 62 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 63 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 64 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 65 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 66 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 67 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 68 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 69 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 74 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 75 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 80 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 81 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 82 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 83 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 84 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 85 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 86 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 87 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 88 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 89 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 90 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 91 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 92 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 93 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 94 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 95 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 96 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 97 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 98 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 99 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 100 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 101 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 102 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 103 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 104 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 105 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 106 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 111 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 112 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 117 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 118 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 119 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 120 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 121 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 122 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 123 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 124 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 125 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 126 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 127 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 128 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 129 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 130 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 131 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 132 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 133 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 134 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 135 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 136 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 137 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 138 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 139 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 140 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 141 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 142 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 143 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 144 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 145 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 146 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 147 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 148 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 149 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 150 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 151 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 152 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 153 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 154 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 155 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 156 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 157 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 158 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 159 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 160 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 161 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 162 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 163 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 164 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 165 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 166 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 167 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 168 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 169 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 170 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 171 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 172 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 173 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 174 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 175 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 176 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 177 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 178 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 179 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 180 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 181 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 182 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 183 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 184 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 185 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 186 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 187 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 188 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 189 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 190 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 191 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 192 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 193 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 194 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 195 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 196 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 197 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 198 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 199 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 200 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 201 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 202 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 203 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 204 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 205 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 206 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 207 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 208 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 209 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 210 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 211 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 212 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 213 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 214 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 215 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 216 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 217 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 218 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 219 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 220 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 221 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 222 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 223 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 224 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 225 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 226 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 227 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 228 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 229 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 230 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 231 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 232 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 233 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 234 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 235 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 236 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 237 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 238 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 239 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 240 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 241 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 242 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 243 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 244 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 245 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 246 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 247 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 248 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 249 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 250 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 251 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 252 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 253 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 254 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 255 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 256 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 257 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 258 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 259 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 260 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 261 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 262 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 263 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 264 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 265 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 266 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 267 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 268 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 269 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 270 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 271 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 272 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 273 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 274 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 275 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 276 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 277 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 278 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 279 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 280 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 281 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 282 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 283 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 284 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 285 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 286 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 287 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 288 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 289 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 290 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 291 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 292 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 293 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 294 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 295 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 296 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 297 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 298 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 299 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 300 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 301 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 302 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 303 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 304 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 305 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 306 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 307 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 308 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 309 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 310 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 311 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 312 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 313 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 314 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 315 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 316 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 317 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 318 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 319 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 320 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 321 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 322 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 323 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 324 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 325 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 326 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 327 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 328 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 329 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 330 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 331 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 332 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 333 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 334 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 335 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 336 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 337 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 338 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 339 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 340 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 341 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 342 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 343 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 344 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 345 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 346 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 347 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 348 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 349 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 350 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 351 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 352 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 353 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 354 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 355 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 356 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 357 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 358 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 359 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 360 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 361 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 362 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 363 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 364 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 365 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 366 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 367 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 368 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 369 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 370 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 371 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 372 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 373 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 374 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 375 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 376 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 377 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 378 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 379 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 380 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 381 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 382 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 383 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 384 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 385 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 386 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 387 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 388 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 389 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 390 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 391 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 392 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 393 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 394 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 395 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 396 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 397 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 398 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 399 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 400 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 401 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 402 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 403 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 404 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 405 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 406 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 407 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 408 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 409 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 410 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 411 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 412 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 413 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 414 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 415 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 416 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 417 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 418 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 419 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 420 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 421 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 422 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 423 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 424 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 425 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 426 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 427 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 428 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 429 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 430 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 431 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 432 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 433 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 434 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 435 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 436 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 437 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 438 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 439 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 440 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 441 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 442 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 443 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 444 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 445 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 446 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 447 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 448 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 449 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 450 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 451 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 452 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 453 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 454 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 455 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 456 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 457 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 458 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 459 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 460 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 461 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 462 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 463 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 464 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 465 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 466 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 467 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 468 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 469 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 470 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 471 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 472 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 473 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 474 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 475 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 476 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 477 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 478 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 479 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 480 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 481 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 482 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 483 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 484 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 485 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 486 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 487 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 488 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 489 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 490 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 491 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 492 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 493 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 494 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 495 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 496 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 497 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 498 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 499 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 500 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 501 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 502 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 503 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 504 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 505 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 506 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 507 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 508 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 509 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 510 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 511 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 512 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 513 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 514 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 515 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 516 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 517 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 518 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 519 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 520 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 521 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 522 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 523 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 524 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 525 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 526 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 527 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 528 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 529 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 530 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 531 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 532 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 533 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 534 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 535 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 536 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 537 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 538 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 539 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 540 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 541 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 542 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 543 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 544 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 545 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 546 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 547 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 548 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 549 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 550 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 551 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 552 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 553 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 554 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 555 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 556 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 557 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 558 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 559 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 560 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 561 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 562 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 563 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 564 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 565 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 566 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 567 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 568 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 569 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 570 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 571 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 572 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 573 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 574 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 575 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 576 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 577 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 578 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 579 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 580 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 581 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 582 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 583 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 584 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 585 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 586 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 587 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 588 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 589 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 590 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 591 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 592 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 593 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 594 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 595 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 596 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 597 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 598 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 599 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 600 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 601 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 602 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 603 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 604 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 605 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 606 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 607 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 608 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 609 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 610 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 611 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 612 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 613 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 614 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 615 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 616 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 617 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 618 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 619 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 620 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 621 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 622 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 623 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo115_s20.cif b/soup/screen/mmcifs/denovo115_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..0eb492f62f798f39d9fd3ef8e5472aa9881566be --- /dev/null +++ b/soup/screen/mmcifs/denovo115_s20.cif @@ -0,0 +1,617 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 22 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 23 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 24 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 25 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 26 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 35 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 40 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 41 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 42 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 43 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 44 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 49 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 50 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 51 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 56 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 57 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 58 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 59 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 64 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 65 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 66 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 67 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 68 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 69 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 70 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 75 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 80 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 81 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 82 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 87 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 88 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 89 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 90 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 95 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 100 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 101 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 102 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 103 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 104 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 105 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 106 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 107 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 108 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 109 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 110 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 115 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 116 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 117 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 118 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 119 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 120 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 125 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 126 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 127 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 128 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 129 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 130 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 131 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 136 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 137 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 138 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 139 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 140 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 145 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 146 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 147 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 148 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 149 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 150 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 151 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 152 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 153 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 154 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 155 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 156 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 157 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 158 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 159 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 160 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 161 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 162 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 163 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 164 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 165 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 166 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 167 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 168 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 169 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 170 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 171 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 172 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 173 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 174 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 175 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 176 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 177 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 178 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 179 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 180 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 185 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 186 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 187 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 192 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 193 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 194 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 195 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 196 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 197 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 198 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 199 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 200 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 205 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 206 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 211 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 212 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 213 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 214 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 215 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 216 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 221 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 222 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 223 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 224 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 225 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 230 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 231 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 232 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 237 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 238 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 239 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 240 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 245 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 246 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 247 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 252 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 253 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 254 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 255 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 256 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 257 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 258 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 259 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 260 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 261 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 262 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 263 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 264 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 265 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 266 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 267 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 268 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 269 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 270 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 275 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 276 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 277 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 278 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 279 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 284 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 285 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 286 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 287 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 288 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 289 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 290 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 291 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 292 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 293 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 294 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 295 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 296 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 297 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 298 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 299 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 300 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 301 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 302 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 303 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 304 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 305 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 306 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 307 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 308 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 309 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 310 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 311 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 312 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 313 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 314 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 315 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 316 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 317 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 318 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 319 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 320 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 321 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 322 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 323 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 324 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 329 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 330 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 331 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 332 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 333 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 334 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 335 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 336 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 337 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 338 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 339 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 340 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 341 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 342 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 343 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 344 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 345 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 346 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 347 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 348 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 349 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 350 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 351 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 352 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 353 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 354 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 355 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 356 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 357 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 358 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 359 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 360 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 361 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 362 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 363 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 364 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 365 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 366 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 367 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 368 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 369 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 370 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 371 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 372 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 373 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 374 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 375 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 376 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 377 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 378 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 379 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 380 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 381 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 382 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 383 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 384 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 385 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 386 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 387 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 388 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 389 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 390 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 391 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 392 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 393 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 394 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 395 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 396 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 397 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 398 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 399 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 400 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 401 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 402 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 403 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 404 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 405 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 406 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 407 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 408 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 409 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 410 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 411 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 412 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 413 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 414 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 415 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 416 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 417 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 418 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 419 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 420 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 421 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 422 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 423 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 424 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 425 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 426 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 427 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 428 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 429 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 430 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 431 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 432 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 433 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 434 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 435 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 436 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 437 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 438 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 439 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 440 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 441 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 442 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 443 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 444 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 445 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 446 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 447 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 448 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 449 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 450 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 451 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 452 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 453 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 454 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 455 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 456 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 457 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 458 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 459 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 460 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 461 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 462 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 463 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 464 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 465 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 466 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 467 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 468 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 473 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 474 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 475 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 476 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 477 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 478 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 479 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 480 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 481 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 482 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 483 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 484 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 485 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 486 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 487 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 488 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 489 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 490 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 491 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 492 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 493 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 494 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 495 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 496 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 497 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 498 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 499 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 500 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 501 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 502 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 503 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 504 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 505 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 506 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 507 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 508 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 509 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 510 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 511 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 512 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 513 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 514 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 515 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 516 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 517 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 518 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 519 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 520 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 521 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 522 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 523 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 524 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 525 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 526 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 527 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 528 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 529 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 530 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 531 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 532 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 533 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 534 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 535 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 536 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 537 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 538 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 539 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 540 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 541 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 542 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 543 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 544 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 545 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 546 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 547 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 548 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 549 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 550 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 551 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 552 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 553 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 554 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 555 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 556 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 557 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 558 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 559 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 560 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 561 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 562 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 563 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 564 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 565 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 566 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 567 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 568 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 569 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 570 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 571 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 572 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 573 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 574 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 575 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 576 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 577 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 578 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 579 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 580 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 581 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 582 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 583 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 584 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 585 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 586 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 587 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 588 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 589 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 590 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 591 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 592 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 593 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 594 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 595 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 596 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 597 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 598 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 599 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 600 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 601 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo116_s20.cif b/soup/screen/mmcifs/denovo116_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..4a57f61f49f1e7f4ef8383233495e6f76e8c85cb --- /dev/null +++ b/soup/screen/mmcifs/denovo116_s20.cif @@ -0,0 +1,612 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 14 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 15 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 16 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 17 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 22 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 23 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 24 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 29 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 30 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 31 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 32 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 33 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 34 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 35 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 40 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 41 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 42 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 43 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 44 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 45 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 46 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 47 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 48 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 49 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 50 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 51 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 52 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 53 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 54 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 55 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 56 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 57 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 58 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 59 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 60 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 61 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 62 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 63 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 64 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 65 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 66 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 67 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 68 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 69 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 70 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 71 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 72 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 73 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 74 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 75 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 76 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 77 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 78 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 79 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 80 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 81 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 82 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 83 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 84 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 85 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 86 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 87 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 88 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 89 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 90 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 91 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 92 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 93 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 94 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 95 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 96 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 97 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 98 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 99 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 100 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 101 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 102 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 103 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 104 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 105 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 106 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 107 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 108 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 109 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 110 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 111 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 112 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 113 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 114 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 115 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 116 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 117 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 118 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 119 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 120 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 121 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 122 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 123 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 124 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 125 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 126 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 127 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 128 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 129 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 130 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 131 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 132 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 133 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 134 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 135 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 136 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 137 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 138 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 139 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 140 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 141 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 142 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 143 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 144 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 145 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 146 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 147 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 148 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 149 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 150 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 151 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 152 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 153 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 154 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 155 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 156 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 157 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 158 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 159 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 160 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 161 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 162 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 163 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 164 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 165 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 166 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 167 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 168 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 169 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 170 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 171 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 172 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 173 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 174 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 175 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 176 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 177 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 178 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 179 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 180 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 181 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 182 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 183 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 184 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 185 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 186 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 187 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 188 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 189 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 190 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 191 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 192 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 193 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 194 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 195 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 200 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 201 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 202 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 203 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 204 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 205 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 206 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 207 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 208 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 209 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 210 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 211 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 212 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 213 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 214 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 215 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 216 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 217 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 218 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 219 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 220 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 221 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 222 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 223 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 224 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 229 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 230 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 231 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 232 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 233 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 234 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 235 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 236 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 237 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 238 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 243 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 244 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 245 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 246 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 247 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 248 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 249 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 250 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 251 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 252 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 253 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 254 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 255 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 256 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 257 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 258 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 259 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 260 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 261 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 262 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 263 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 264 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 265 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 266 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 267 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 268 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 269 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 270 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 271 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 272 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 273 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 274 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 275 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 276 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 277 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 278 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 279 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 280 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 281 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 282 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 283 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 284 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 285 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 286 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 287 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 288 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 289 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 290 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 291 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 292 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 293 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 294 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 295 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 296 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 297 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 298 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 299 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 300 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 301 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 302 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 303 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 304 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 305 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 306 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 307 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 308 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 309 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 310 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 311 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 312 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 313 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 314 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 315 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 316 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 317 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 318 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 323 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 324 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 325 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 326 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 327 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 328 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 329 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 330 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 331 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 332 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 333 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 334 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 335 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 336 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 337 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 338 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 339 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 340 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 341 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 342 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 343 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 344 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 345 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 346 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 347 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 348 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 349 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 350 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 351 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 352 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 353 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 354 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 355 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 356 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 357 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 358 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 359 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 360 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 361 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 362 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 363 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 364 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 365 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 366 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 367 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 368 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 369 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 370 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 371 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 372 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 373 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 374 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 375 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 376 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 377 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 378 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 379 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 380 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 381 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 382 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 383 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 384 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 385 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 386 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 387 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 388 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 389 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 390 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 391 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 392 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 393 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 394 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 395 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 396 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 397 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 398 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 399 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 400 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 401 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 402 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 403 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 404 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 405 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 406 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 407 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 408 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 409 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 410 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 411 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 412 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 413 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 414 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 415 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 416 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 417 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 418 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 419 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 420 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 421 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 422 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 423 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 424 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 425 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 426 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 427 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 428 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 429 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 430 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 431 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 432 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 433 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 434 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 435 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 436 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 437 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 438 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 439 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 440 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 441 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 442 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 443 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 444 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 445 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 446 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 447 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 448 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 449 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 450 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 451 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 452 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 453 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 454 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 455 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 456 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 457 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 458 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 459 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 460 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 461 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 462 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 463 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 464 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 465 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 466 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 467 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 468 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 469 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 470 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 471 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 472 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 473 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 474 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 475 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 476 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 477 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 478 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 479 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 480 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 481 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 482 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 483 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 484 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 485 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 486 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 487 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 488 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 489 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 490 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 491 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 492 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 493 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 494 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 495 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 496 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 497 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 498 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 499 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 500 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 501 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 502 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 503 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 504 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 505 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 506 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 507 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 508 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 509 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 510 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 511 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 512 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 513 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 514 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 515 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 516 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 517 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 518 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 519 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 520 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 521 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 522 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 523 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 524 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 525 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 526 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 527 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 528 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 529 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 530 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 531 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 532 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 533 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 534 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 535 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 536 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 537 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 538 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 539 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 540 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 541 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 542 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 543 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 544 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 545 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 546 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 547 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 548 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 549 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 550 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 551 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 552 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 553 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 554 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 555 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 556 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 557 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 558 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 559 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 560 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 561 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 562 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 563 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 564 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 565 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 566 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 571 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 572 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 573 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 574 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 575 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 576 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 577 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 578 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 579 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 580 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 581 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 582 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 583 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 584 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 585 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 586 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 587 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 588 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 589 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 590 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 591 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 592 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 593 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 594 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 595 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 596 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo117_s20.cif b/soup/screen/mmcifs/denovo117_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ecb6951fab27478f590da8b62b1dbd42bc0bd2ad --- /dev/null +++ b/soup/screen/mmcifs/denovo117_s20.cif @@ -0,0 +1,596 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 13 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 14 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 15 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 16 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 21 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 22 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 23 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 24 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 25 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 26 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 27 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 28 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 29 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 30 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 31 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 32 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 33 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 34 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 35 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 36 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 37 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 38 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 39 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 40 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 41 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 42 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 43 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 44 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 45 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 46 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 47 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 48 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 49 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 50 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 51 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 52 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 53 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 54 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 59 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 60 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 61 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 62 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 63 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 64 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 65 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 66 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 71 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 72 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 73 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 78 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 79 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 80 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 81 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 82 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 83 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 84 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 85 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 86 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 87 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 88 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 89 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 90 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 91 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 92 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 93 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 94 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 95 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 100 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 101 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 102 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 103 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 104 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 105 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 106 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 107 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 108 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 109 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 110 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 111 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 112 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 113 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 114 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 115 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 116 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 117 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 118 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 119 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 120 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 121 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 126 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 127 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 128 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 129 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 130 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 131 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 132 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 133 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 134 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 135 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 136 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 137 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 138 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 139 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 140 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 141 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 146 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 147 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 148 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 149 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 154 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 155 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 156 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 161 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 162 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 163 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 164 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 165 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 166 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 167 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 168 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 169 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 170 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 171 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 172 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 173 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 174 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 175 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 176 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 177 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 178 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 179 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 180 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 181 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 182 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 183 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 184 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 189 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 190 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 195 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 196 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 197 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 198 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 199 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 200 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 201 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 202 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 203 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 204 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 205 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 206 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 207 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 208 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 209 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 210 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 211 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 212 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 213 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 214 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 215 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 216 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 217 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 218 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 219 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 220 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 221 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 222 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 223 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 224 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 229 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 230 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 231 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 236 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 237 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 238 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 239 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 240 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 241 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 242 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 243 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 244 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 245 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 246 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 247 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 248 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 249 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 250 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 251 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 252 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 253 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 254 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 255 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 260 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 261 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 262 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 263 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 264 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 265 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 266 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 267 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 268 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 269 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 270 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 271 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 272 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 273 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 274 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 275 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 276 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 277 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 278 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 279 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 280 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 281 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 282 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 283 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 284 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 285 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 286 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 287 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 288 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 289 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 290 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 291 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 292 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 293 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 294 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 295 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 296 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 297 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 298 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 299 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 300 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 301 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 302 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 303 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 304 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 305 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 306 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 307 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 308 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 309 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 310 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 311 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 316 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 317 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 318 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 319 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 320 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 321 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 322 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 323 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 328 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 329 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 330 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 331 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 332 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 333 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 334 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 335 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 336 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 337 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 338 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 339 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 340 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 341 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 342 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 343 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 344 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 345 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 346 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 347 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 348 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 349 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 350 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 351 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 352 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 353 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 354 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 355 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 356 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 357 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 358 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 359 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 360 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 361 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 362 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 363 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 364 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 365 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 366 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 367 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 368 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 369 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 370 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 371 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 372 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 373 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 374 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 375 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 376 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 377 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 378 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 379 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 380 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 381 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 382 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 383 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 384 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 385 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 386 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 387 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 388 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 389 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 390 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 391 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 392 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 393 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 394 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 395 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 396 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 397 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 398 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 399 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 400 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 401 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 402 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 403 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 404 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 405 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 406 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 407 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 408 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 409 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 410 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 411 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 412 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 413 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 414 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 415 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 416 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 417 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 418 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 419 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 420 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 421 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 422 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 423 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 424 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 425 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 426 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 427 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 428 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 429 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 430 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 431 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 432 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 433 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 434 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 435 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 436 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 437 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 438 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 439 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 440 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 441 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 442 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 443 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 444 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 445 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 446 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 447 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 448 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 449 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 450 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 451 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 452 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 453 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 454 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 455 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 456 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 457 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 458 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 459 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 460 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 461 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 462 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 463 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 464 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 465 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 466 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 467 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 468 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 469 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 470 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 471 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 472 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 473 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 474 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 475 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 476 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 477 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 478 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 479 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 480 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 481 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 482 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 483 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 484 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 485 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 486 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 487 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 488 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 489 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 490 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 491 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 492 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 493 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 494 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 495 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 496 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 497 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 498 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 499 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 500 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 501 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 502 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 503 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 504 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 505 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 506 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 507 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 508 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 509 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 510 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 511 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 512 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 513 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 514 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 515 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 516 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 517 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 518 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 519 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 520 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 521 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 522 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 523 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 524 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 525 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 530 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 531 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 532 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 533 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 534 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 535 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 536 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 537 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 538 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 539 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 540 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 541 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 542 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 543 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 544 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 545 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 546 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 547 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 548 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 549 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 550 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 551 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 552 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 553 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 554 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 555 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 556 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 557 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 558 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 559 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 560 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 561 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 562 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 563 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 564 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 565 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 566 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 567 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 568 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 569 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 570 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 571 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 572 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 573 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 574 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 575 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 576 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 577 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 578 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 579 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 580 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo118_s20.cif b/soup/screen/mmcifs/denovo118_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..14ad8451492212e329484f1e388fa31f21a2c29c --- /dev/null +++ b/soup/screen/mmcifs/denovo118_s20.cif @@ -0,0 +1,600 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 22 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 23 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 24 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 29 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 30 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 31 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 32 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 33 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 38 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 39 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 40 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 41 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 42 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 47 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 48 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 49 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 50 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 51 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 52 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 53 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 54 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 55 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 56 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 57 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 58 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 59 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 60 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 61 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 62 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 63 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 64 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 65 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 66 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 67 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 68 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 69 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 74 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 75 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 76 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 77 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 78 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 79 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 80 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 81 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 82 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 83 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 84 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 85 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 86 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 87 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 88 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 89 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 90 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 91 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 92 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 93 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 94 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 95 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 96 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 97 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 98 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 99 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 100 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 101 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 102 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 103 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 104 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 105 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 106 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 107 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 108 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 109 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 110 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 111 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 112 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 113 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 114 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 115 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 116 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 117 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 118 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 119 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 120 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 121 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 122 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 123 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 124 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 125 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 126 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 127 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 128 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 129 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 130 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 131 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 132 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 133 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 138 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 139 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 140 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 141 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 142 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 143 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 144 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 145 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 146 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 147 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 148 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 149 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 154 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 155 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 156 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 161 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 166 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 167 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 168 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 169 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 170 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 171 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 172 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 173 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 174 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 175 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 176 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 177 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 178 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 179 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 184 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 185 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 186 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 187 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 188 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 189 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 194 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 195 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 200 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 201 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 202 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 203 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 204 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 205 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 206 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 207 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 208 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 209 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 210 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 211 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 212 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 213 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 214 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 215 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 216 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 217 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 218 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 219 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 224 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 225 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 230 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 231 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 232 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 233 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 234 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 235 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 236 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 237 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 238 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 239 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 240 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 241 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 242 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 243 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 244 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 245 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 246 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 247 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 252 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 253 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 254 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 255 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 256 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 257 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 258 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 259 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 260 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 261 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 262 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 263 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 264 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 265 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 266 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 267 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 268 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 269 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 270 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 271 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 272 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 273 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 274 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 275 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 276 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 277 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 278 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 279 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 284 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 285 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 286 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 287 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 288 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 289 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 290 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 291 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 292 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 293 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 294 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 295 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 296 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 297 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 298 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 303 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 304 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 305 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 306 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 307 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 308 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 309 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 310 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 311 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 312 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 313 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 314 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 315 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 316 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 317 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 318 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 319 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 320 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 321 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 322 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 323 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 324 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 325 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 326 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 327 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 328 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 333 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 334 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 335 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 336 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 337 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 338 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 339 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 340 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 341 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 342 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 347 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 348 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 349 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 350 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 351 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 352 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 353 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 354 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 355 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 356 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 357 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 358 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 359 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 360 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 361 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 362 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 363 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 364 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 365 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 366 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 367 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 368 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 369 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 370 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 371 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 372 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 373 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 374 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 375 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 376 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 377 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 378 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 379 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 380 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 381 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 382 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 383 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 384 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 385 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 386 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 387 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 388 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 389 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 390 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 391 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 392 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 393 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 394 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 395 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 396 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 397 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 398 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 399 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 400 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 401 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 402 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 403 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 404 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 405 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 406 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 407 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 408 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 409 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 410 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 411 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 412 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 413 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 414 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 415 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 416 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 417 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 418 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 419 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 420 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 421 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 422 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 423 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 424 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 425 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 426 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 427 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 428 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 429 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 430 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 431 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 432 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 433 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 434 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 435 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 436 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 437 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 438 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 443 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 444 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 445 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 446 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 447 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 448 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 449 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 450 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 451 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 452 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 453 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 454 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 455 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 456 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 457 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 458 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 459 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 460 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 461 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 462 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 463 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 464 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 465 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 466 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 467 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 468 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 469 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 470 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 471 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 472 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 473 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 474 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 475 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 476 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 477 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 478 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 479 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 480 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 481 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 482 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 483 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 484 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 485 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 486 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 487 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 492 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 493 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 494 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 495 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 496 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 497 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 498 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 499 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 500 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 501 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 502 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 503 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 504 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 505 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 506 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 507 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 508 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 509 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 510 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 511 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 512 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 513 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 514 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 515 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 516 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 517 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 518 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 519 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 520 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 521 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 522 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 523 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 524 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 525 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 530 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 531 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 532 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 533 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 534 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 535 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 536 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 537 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 538 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 539 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 540 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 541 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 542 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 543 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 544 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 545 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 546 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 547 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 548 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 549 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 550 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 555 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 556 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 557 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 558 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 559 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 560 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 561 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 562 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 563 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 564 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 565 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 566 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 567 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 568 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 569 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 570 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 571 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 572 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 573 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 574 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 575 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 576 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 577 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 578 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 579 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 580 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 581 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 582 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 583 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 584 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo119_s20.cif b/soup/screen/mmcifs/denovo119_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e0edcdc7d27bc1f732294ceb85635332858568ce --- /dev/null +++ b/soup/screen/mmcifs/denovo119_s20.cif @@ -0,0 +1,563 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 14 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 15 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 16 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 17 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 18 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 23 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 32 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 33 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 34 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 43 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 44 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 45 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 46 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 47 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 52 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 53 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 54 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 55 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 56 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 57 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 58 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 59 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 60 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 65 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 66 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 67 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 68 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 69 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 74 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 75 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 76 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 77 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 78 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 79 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 80 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 81 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 82 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 83 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 84 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 85 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 86 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 87 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 88 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 89 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 90 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 95 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 96 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 97 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 98 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 99 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 100 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 101 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 102 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 107 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 108 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 109 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 110 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 111 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 112 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 113 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 114 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 115 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 116 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 117 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 118 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 119 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 120 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 121 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 122 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 123 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 124 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 125 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 126 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 127 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 128 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 129 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 130 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 131 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 132 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 133 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 134 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 135 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 136 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 137 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 138 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 139 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 140 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 141 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 142 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 143 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 144 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 145 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 146 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 147 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 148 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 149 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 150 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 151 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 152 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 153 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 154 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 155 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 156 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 157 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 158 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 159 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 160 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 161 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 162 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 163 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 164 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 165 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 166 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 167 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 168 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 169 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 170 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 171 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 172 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 173 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 174 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 175 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 176 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 177 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 178 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 179 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 180 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 181 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 182 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 183 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 184 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 185 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 186 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 187 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 188 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 189 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 190 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 191 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 192 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 193 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 194 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 195 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 196 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 197 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 198 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 199 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 200 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 201 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 202 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 203 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 204 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 205 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 206 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 207 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 208 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 209 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 210 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 211 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 212 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 213 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 214 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 215 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 216 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 217 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 218 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 219 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 220 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 221 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 222 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 223 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 224 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 225 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 226 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 227 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 228 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 229 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 230 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 231 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 232 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 233 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 234 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 235 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 236 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 237 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 238 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 239 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 240 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 241 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 242 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 243 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 244 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 245 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 246 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 247 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 248 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 249 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 250 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 251 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 252 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 253 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 254 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 255 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 256 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 257 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 258 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 259 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 260 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 261 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 262 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 263 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 264 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 265 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 266 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 267 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 268 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 269 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 270 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 271 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 272 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 273 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 274 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 275 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 276 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 277 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 278 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 279 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 280 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 281 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 282 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 283 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 284 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 285 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 286 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 287 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 288 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 289 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 290 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 291 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 292 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 293 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 294 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 295 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 296 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 297 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 298 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 299 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 300 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 301 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 302 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 303 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 304 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 305 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 306 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 307 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 308 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 309 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 310 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 311 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 312 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 313 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 314 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 315 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 316 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 317 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 318 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 319 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 320 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 321 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 322 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 323 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 324 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 325 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 326 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 327 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 328 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 329 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 330 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 331 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 332 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 333 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 334 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 335 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 336 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 337 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 338 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 339 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 340 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 341 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 342 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 343 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 344 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 345 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 346 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 347 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 348 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 349 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 350 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 351 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 352 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 353 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 354 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 355 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 360 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 361 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 362 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 363 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 364 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 365 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 366 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 367 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 368 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 369 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 370 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 371 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 372 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 373 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 374 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 375 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 376 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 377 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 378 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 379 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 380 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 381 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 382 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 383 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 384 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 385 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 386 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 387 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 388 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 389 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 390 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 391 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 392 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 393 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 394 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 395 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 396 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 397 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 398 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 399 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 400 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 401 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 402 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 403 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 404 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 405 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 406 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 407 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 412 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 413 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 414 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 415 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 416 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 417 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 418 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 419 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 420 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 421 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 422 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 423 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 424 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 425 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 426 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 427 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 428 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 429 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 430 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 431 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 432 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 433 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 434 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 435 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 436 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 437 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 438 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 439 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 440 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 441 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 442 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 443 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 444 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 445 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 446 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 447 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 448 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 449 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 450 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 451 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 452 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 453 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 454 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 455 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 456 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 457 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 458 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 459 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 460 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 461 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 462 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 463 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 464 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 465 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 466 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 467 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 468 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 469 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 470 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 471 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 472 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 473 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 474 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 475 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 476 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 477 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 478 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 479 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 480 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 481 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 482 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 483 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 484 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 485 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 486 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 487 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 488 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 489 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 490 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 491 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 492 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 493 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 494 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 495 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 496 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 497 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 498 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 499 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 500 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 501 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 502 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 503 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 504 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 505 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 506 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 507 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 508 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 509 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 510 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 511 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 512 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 513 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 514 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 515 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 516 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 517 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 518 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 519 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 520 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 521 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 522 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 523 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 524 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 525 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 526 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 527 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 528 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 529 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 530 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 531 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 532 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 533 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 534 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 535 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 536 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 537 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 538 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 539 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 540 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 541 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 542 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 543 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 544 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 545 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 546 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 547 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo11_s20.cif b/soup/screen/mmcifs/denovo11_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..79ec619ec7baa5b4ae55f74c820266f9e18eeebb --- /dev/null +++ b/soup/screen/mmcifs/denovo11_s20.cif @@ -0,0 +1,586 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 11 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 12 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 13 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 14 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 15 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 16 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 17 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 22 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 23 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 28 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 29 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 30 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 35 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 36 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 37 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 46 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 47 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 48 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 49 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 54 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 55 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 56 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 61 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 62 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 63 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 64 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 65 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 70 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 71 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 72 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 77 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 82 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 83 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 84 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 89 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 90 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 91 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 96 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 97 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 98 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 103 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 104 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 105 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 106 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 107 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 108 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 109 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 110 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 111 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 112 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 113 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 114 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 115 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 116 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 117 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 122 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 123 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 124 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 125 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 126 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 127 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 128 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 129 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 130 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 131 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 132 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 133 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 134 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 135 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 136 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 137 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 138 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 139 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 140 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 141 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 142 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 143 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 144 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 145 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 146 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 147 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 148 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 149 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 154 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 155 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 156 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 157 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 158 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 159 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 160 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 161 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 162 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 163 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 164 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 165 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 166 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 167 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 168 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 169 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 170 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 171 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 172 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 173 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 174 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 175 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 176 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 181 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 182 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 183 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 184 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 185 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 190 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 191 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 192 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 197 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 198 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 199 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 200 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 205 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 206 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 207 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 208 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 209 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 210 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 211 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 212 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 213 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 214 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 215 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 216 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 217 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 218 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 219 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 220 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 221 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 222 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 223 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 224 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 225 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 226 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 227 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 228 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 229 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 230 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 231 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 232 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 233 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 234 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 235 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 236 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 237 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 238 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 239 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 240 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 241 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 242 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 243 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 244 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 245 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 246 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 247 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 248 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 249 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 250 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 251 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 252 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 257 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 258 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 259 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 260 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 265 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 266 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 267 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 268 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 269 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 274 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 275 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 276 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 281 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 282 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 283 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 284 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 285 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 286 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 287 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 288 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 289 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 290 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 291 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 292 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 293 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 294 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 295 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 296 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 297 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 298 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 299 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 300 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 301 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 302 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 303 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 304 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 305 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 306 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 307 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 308 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 309 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 310 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 311 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 312 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 313 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 314 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 315 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 316 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 317 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 318 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 319 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 320 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 321 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 322 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 323 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 324 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 325 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 326 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 327 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 328 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 329 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 330 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 331 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 332 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 333 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 334 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 335 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 336 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 337 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 338 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 339 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 340 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 341 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 342 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 343 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 344 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 345 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 346 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 347 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 348 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 349 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 350 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 351 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 352 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 353 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 354 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 355 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 360 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 361 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 362 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 363 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 368 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 369 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 370 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 371 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 372 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 373 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 374 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 375 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 376 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 377 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 378 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 379 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 380 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 381 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 382 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 383 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 384 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 385 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 386 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 387 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 388 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 389 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 390 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 391 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 392 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 393 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 394 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 395 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 396 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 397 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 398 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 399 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 400 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 401 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 402 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 403 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 404 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 405 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 406 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 407 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 408 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 409 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 410 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 411 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 412 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 413 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 414 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 415 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 416 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 417 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 418 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 419 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 420 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 421 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 422 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 423 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 424 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 425 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 426 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 427 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 428 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 429 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 430 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 431 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 432 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 433 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 434 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 435 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 436 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 437 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 438 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 439 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 440 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 441 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 442 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 443 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 444 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 445 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 446 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 447 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 448 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 449 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 450 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 451 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 452 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 453 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 454 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 455 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 456 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 457 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 458 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 459 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 460 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 461 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 462 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 463 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 464 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 465 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 466 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 467 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 468 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 469 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 470 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 471 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 472 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 473 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 474 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 475 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 476 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 477 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 478 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 479 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 480 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 481 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 482 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 483 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 484 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 485 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 486 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 487 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 488 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 489 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 490 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 491 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 492 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 493 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 494 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 495 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 496 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 497 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 498 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 503 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 504 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 505 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 506 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 507 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 508 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 509 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 510 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 511 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 512 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 513 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 514 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 515 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 516 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 517 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 518 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 519 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 520 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 521 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 522 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 523 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 524 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 525 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 526 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 527 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 528 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 533 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 534 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 535 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 536 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 537 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 538 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 539 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 540 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 541 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 542 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 543 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 544 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 545 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 546 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 547 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 548 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 549 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 550 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 551 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 552 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 553 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 554 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 555 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 556 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 557 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 558 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 559 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 560 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 561 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 562 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 563 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 564 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 565 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 566 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 567 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 568 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 569 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 570 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo120_s20.cif b/soup/screen/mmcifs/denovo120_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..24da6b0822c9b6b4b65400f2021972d46802c4b8 --- /dev/null +++ b/soup/screen/mmcifs/denovo120_s20.cif @@ -0,0 +1,604 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 14 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 15 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 16 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 17 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 18 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 23 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 24 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 25 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 30 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 31 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 32 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 33 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 38 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 39 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 40 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 45 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 46 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 47 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 48 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 49 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 54 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 55 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 56 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 57 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 58 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 59 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 60 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 61 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 62 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 63 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 64 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 69 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 70 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 71 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 72 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 73 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 74 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 75 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 80 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 81 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 86 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 87 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 92 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 93 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 94 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 99 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 100 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 101 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 102 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 103 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 104 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 105 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 106 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 107 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 112 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 113 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 114 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 115 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 116 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 117 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 118 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 119 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 120 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 121 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 122 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 123 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 124 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 125 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 126 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 127 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 128 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 129 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 130 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 131 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 136 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 137 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 142 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 143 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 144 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 145 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 146 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 147 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 148 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 149 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 150 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 151 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 152 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 157 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 158 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 159 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 160 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 161 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 162 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 163 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 164 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 165 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 166 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 167 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 168 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 169 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 170 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 171 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 172 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 173 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 174 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 175 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 176 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 181 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 186 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 187 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 188 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 189 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 190 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 191 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 192 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 193 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 194 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 195 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 196 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 197 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 198 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 199 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 200 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 205 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 206 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 207 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 212 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 213 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 214 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 215 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 216 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 221 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 222 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 223 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 224 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 225 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 230 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 231 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 232 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 233 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 234 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 239 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 240 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 241 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 242 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 247 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 248 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 249 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 250 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 251 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 252 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 253 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 254 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 255 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 256 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 257 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 258 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 259 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 260 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 265 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 266 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 267 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 268 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 269 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 274 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 275 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 276 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 277 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 278 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 279 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 280 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 281 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 282 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 287 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 288 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 289 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 290 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 291 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 292 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 297 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 298 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 299 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 304 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 305 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 306 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 307 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 308 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 309 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 310 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 311 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 312 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 317 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 318 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 319 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 324 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 325 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 326 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 327 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 328 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 333 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 334 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 335 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 336 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 337 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 338 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 339 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 340 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 341 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 342 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 343 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 344 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 345 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 350 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 351 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 352 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 353 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 354 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 355 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 356 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 357 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 358 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 359 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 360 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 361 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 362 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 363 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 364 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 365 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 366 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 367 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 368 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 369 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 370 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 375 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 376 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 377 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 378 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 379 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 384 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 385 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 386 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 387 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 388 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 389 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 390 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 391 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 392 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 393 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 394 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 395 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 396 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 397 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 398 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 399 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 400 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 401 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 402 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 403 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 404 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 409 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 410 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 411 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 416 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 417 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 418 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 419 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 420 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 421 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 422 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 423 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 424 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 425 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 426 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 427 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 428 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 429 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 430 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 431 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 432 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 433 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 434 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 435 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 436 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 437 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 438 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 439 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 440 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 441 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 442 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 443 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 444 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 445 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 446 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 447 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 448 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 449 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 450 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 451 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 452 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 453 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 454 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 455 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 456 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 457 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 458 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 459 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 460 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 461 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 462 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 463 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 464 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 465 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 466 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 467 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 468 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 469 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 470 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 471 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 472 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 473 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 474 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 475 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 476 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 477 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 478 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 479 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 480 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 481 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 482 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 483 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 484 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 485 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 486 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 487 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 488 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 489 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 490 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 491 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 492 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 493 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 494 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 495 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 496 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 497 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 498 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 499 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 500 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 501 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 502 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 503 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 504 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 505 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 506 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 507 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 508 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 509 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 510 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 511 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 512 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 513 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 514 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 515 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 516 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 517 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 518 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 519 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 520 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 521 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 522 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 523 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 524 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 525 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 526 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 527 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 528 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 529 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 530 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 531 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 532 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 533 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 534 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 535 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 536 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 537 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 538 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 539 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 540 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 541 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 542 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 543 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 544 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 545 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 546 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 547 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 548 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 549 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 550 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 551 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 552 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 553 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 554 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 555 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 556 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 557 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 558 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 559 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 560 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 561 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 562 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 563 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 564 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 565 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 566 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 567 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 568 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 569 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 570 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 571 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 572 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 573 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 574 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 575 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 576 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 577 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 578 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 579 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 580 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 581 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 582 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 583 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 584 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 585 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 586 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 587 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 588 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo121_s20.cif b/soup/screen/mmcifs/denovo121_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..16cec7dfe959ce2ba86d6dda4729e4cef4891735 --- /dev/null +++ b/soup/screen/mmcifs/denovo121_s20.cif @@ -0,0 +1,606 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 19 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 20 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 21 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 22 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 23 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 28 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 29 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 30 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 31 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 32 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 33 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 34 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 35 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 36 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 37 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 38 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 39 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 44 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 45 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 46 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 47 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 48 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 49 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 50 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 55 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 56 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 57 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 58 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 59 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 64 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 65 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 66 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 71 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 72 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 73 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 78 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 79 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 80 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 81 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 82 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 83 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 84 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 85 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 86 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 87 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 88 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 89 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 90 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 91 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 92 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 93 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 98 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 99 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 100 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 101 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 106 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 107 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 108 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 109 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 110 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 111 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 112 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 117 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 118 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 119 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 120 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 121 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 122 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 123 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 124 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 133 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 134 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 135 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 136 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 137 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 138 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 139 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 140 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 141 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 142 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 143 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 148 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 149 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 154 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 155 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 156 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 157 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 158 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 159 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 160 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 161 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 162 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 163 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 164 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 165 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 170 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 171 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 172 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 173 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 174 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 179 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 180 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 181 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 186 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 187 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 188 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 189 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 190 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 191 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 192 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 193 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 194 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 195 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 196 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 197 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 202 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 203 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 204 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 205 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 206 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 207 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 208 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 209 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 214 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 215 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 220 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 221 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 230 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 231 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 232 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 233 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 234 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 235 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 236 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 237 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 238 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 239 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 240 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 241 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 242 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 243 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 248 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 249 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 250 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 251 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 252 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 253 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 254 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 259 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 264 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 265 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 266 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 267 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 268 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 269 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 270 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 275 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 276 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 277 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 282 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 283 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 284 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 285 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 286 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 287 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 288 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 289 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 290 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 291 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 292 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 293 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 294 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 295 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 296 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 297 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 298 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 299 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 300 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 301 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 302 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 303 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 304 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 305 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 306 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 307 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 308 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 309 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 310 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 311 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 312 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 313 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 314 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 315 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 316 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 317 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 318 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 319 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 320 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 321 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 326 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 327 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 328 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 329 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 330 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 335 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 336 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 337 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 338 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 339 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 340 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 341 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 342 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 343 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 344 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 345 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 346 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 347 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 348 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 349 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 350 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 351 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 352 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 353 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 354 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 355 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 356 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 357 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 362 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 363 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 364 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 369 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 370 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 375 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 376 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 377 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 378 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 379 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 380 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 381 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 382 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 383 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 384 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 389 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 390 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 395 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 396 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 397 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 398 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 399 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 400 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 401 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 402 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 403 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 404 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 409 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 410 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 411 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 416 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 417 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 418 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 419 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 420 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 421 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 422 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 423 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 424 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 425 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 426 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 427 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 428 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 429 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 430 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 431 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 432 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 433 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 434 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 435 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 436 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 437 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 438 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 439 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 440 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 441 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 442 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 443 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 444 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 445 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 446 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 447 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 448 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 449 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 450 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 451 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 452 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 453 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 454 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 455 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 456 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 457 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 458 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 459 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 460 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 461 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 462 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 463 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 464 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 465 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 466 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 467 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 468 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 469 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 470 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 471 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 472 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 473 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 474 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 475 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 476 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 477 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 478 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 479 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 480 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 481 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 482 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 483 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 484 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 485 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 486 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 487 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 488 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 489 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 490 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 491 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 492 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 493 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 494 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 495 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 496 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 497 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 498 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 499 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 500 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 501 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 506 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 507 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 508 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 509 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 510 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 511 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 512 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 513 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 514 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 515 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 516 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 517 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 518 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 519 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 520 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 521 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 522 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 523 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 524 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 525 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 526 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 527 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 528 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 529 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 530 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 531 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 532 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 533 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 534 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 535 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 536 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 537 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 538 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 539 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 540 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 541 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 542 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 543 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 544 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 545 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 546 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 547 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 548 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 549 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 550 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 551 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 552 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 553 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 554 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 555 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 556 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 557 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 558 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 559 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 560 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 561 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 562 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 563 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 564 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 565 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 566 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 567 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 568 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 569 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 570 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 571 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 572 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 573 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 574 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 575 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 576 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 577 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 578 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 579 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 580 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 581 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 582 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 583 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 584 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 585 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 586 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 587 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 588 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 589 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 590 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo122_s20.cif b/soup/screen/mmcifs/denovo122_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d1e6f902f6c795e346f871d25047464312846c4f --- /dev/null +++ b/soup/screen/mmcifs/denovo122_s20.cif @@ -0,0 +1,622 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 11 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 12 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 13 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 18 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 19 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 20 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 25 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 26 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 27 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 32 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 37 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 38 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 39 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 40 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 41 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 46 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 47 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 48 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 49 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 54 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 55 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 56 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 61 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 62 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 63 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 64 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 65 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 66 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 67 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 72 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 73 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 74 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 79 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 80 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 81 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 82 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 87 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 92 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 93 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 94 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 95 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 96 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 97 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 98 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 103 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 104 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 105 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 106 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 111 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 112 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 117 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 118 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 119 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 120 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 121 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 122 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 123 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 124 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 125 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 126 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 127 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 128 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 129 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 130 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 131 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 132 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 133 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 134 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 135 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 136 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 137 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 138 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 139 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 140 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 141 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 142 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 143 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 144 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 145 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 150 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 151 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 152 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 157 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 158 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 159 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 160 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 165 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 166 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 167 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 168 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 169 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 170 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 171 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 172 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 173 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 174 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 175 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 176 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 177 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 178 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 179 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 180 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 181 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 182 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 183 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 184 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 185 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 186 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 187 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 188 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 189 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 190 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 191 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 192 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 193 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 194 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 195 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 200 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 201 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 206 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 207 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 212 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 213 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 214 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 215 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 216 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 221 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 222 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 223 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 224 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 225 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 226 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 227 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 228 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 229 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 230 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 231 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 232 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 233 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 234 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 239 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 240 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 241 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 242 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 243 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 244 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 245 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 246 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 247 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 248 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 249 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 250 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 251 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 252 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 253 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 254 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 255 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 256 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 257 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 258 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 259 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 260 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 265 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 266 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 267 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 268 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 269 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 274 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 275 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 276 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 277 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 278 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 279 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 280 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 281 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 282 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 283 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 284 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 285 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 290 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 291 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 292 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 293 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 294 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 295 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 296 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 297 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 298 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 299 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 304 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 305 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 306 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 307 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 308 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 309 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 310 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 311 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 312 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 313 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 314 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 315 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 316 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 317 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 318 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 319 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 320 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 321 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 326 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 327 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 328 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 329 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 330 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 331 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 332 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 333 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 334 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 335 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 336 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 337 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 338 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 339 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 340 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 341 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 342 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 343 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 344 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 345 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 346 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 347 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 348 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 349 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 350 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 351 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 352 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 353 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 354 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 355 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 356 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 357 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 362 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 363 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 368 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 369 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 370 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 379 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 380 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 381 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 382 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 383 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 384 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 385 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 386 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 387 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 388 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 389 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 390 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 391 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 392 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 393 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 394 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 399 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 400 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 401 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 402 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 403 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 408 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 409 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 410 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 411 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 412 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 413 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 414 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 415 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 416 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 417 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 418 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 419 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 420 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 421 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 422 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 423 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 424 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 425 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 426 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 427 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 428 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 429 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 430 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 431 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 432 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 433 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 434 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 435 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 436 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 437 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 438 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 439 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 440 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 441 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 442 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 443 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 444 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 445 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 446 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 447 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 448 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 449 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 450 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 451 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 452 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 453 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 454 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 455 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 456 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 457 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 458 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 459 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 460 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 461 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 462 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 463 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 464 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 465 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 466 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 467 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 468 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 469 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 470 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 471 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 472 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 473 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 474 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 475 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 476 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 477 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 478 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 479 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 480 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 481 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 482 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 483 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 484 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 485 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 486 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 487 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 488 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 489 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 490 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 491 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 492 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 493 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 494 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 495 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 496 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 497 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 498 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 499 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 500 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 501 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 502 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 503 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 504 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 505 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 506 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 507 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 508 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 509 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 510 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 511 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 512 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 513 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 514 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 515 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 516 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 517 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 518 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 519 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 520 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 521 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 522 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 523 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 524 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 525 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 526 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 527 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 528 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 529 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 530 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 531 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 532 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 533 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 534 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 535 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 536 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 537 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 538 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 539 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 540 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 541 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 542 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 543 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 544 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 545 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 546 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 547 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 548 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 549 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 550 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 551 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 552 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 553 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 554 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 555 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 556 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 557 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 558 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 559 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 560 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 561 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 562 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 563 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 564 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 565 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 566 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 567 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 568 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 569 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 570 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 571 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 572 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 573 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 574 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 575 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 576 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 577 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 578 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 579 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 580 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 581 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 582 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 583 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 584 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 585 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 586 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 587 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 588 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 589 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 590 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 591 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 592 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 593 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 594 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 595 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 596 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 597 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 598 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 599 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 600 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 601 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 602 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 603 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 604 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 605 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 606 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo123_s20.cif b/soup/screen/mmcifs/denovo123_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e8995448374afab01677f16dab373c7486be6061 --- /dev/null +++ b/soup/screen/mmcifs/denovo123_s20.cif @@ -0,0 +1,585 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 15 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 16 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 17 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 22 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 27 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 28 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 29 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 34 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 35 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 40 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 41 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 42 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 43 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 48 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 49 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 50 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 55 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 56 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 57 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 58 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 59 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 68 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 69 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 70 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 71 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 72 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 77 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 78 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 79 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 80 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 81 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 86 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 87 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 88 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 93 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 94 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 95 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 100 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 101 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 102 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 103 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 104 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 109 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 110 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 115 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 116 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 117 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 118 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 119 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 120 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 121 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 122 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 123 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 124 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 125 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 126 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 127 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 132 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 133 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 134 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 139 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 140 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 141 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 142 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 143 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 148 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 149 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 150 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 155 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 156 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 157 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 162 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 163 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 164 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 165 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 166 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 171 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 172 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 173 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 174 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 175 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 176 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 177 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 178 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 179 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 180 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 181 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 186 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 187 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 188 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 189 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 194 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 195 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 196 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 197 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 198 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 199 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 200 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 201 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 202 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 203 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 204 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 205 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 206 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 207 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 208 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 209 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 210 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 211 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 212 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 213 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 214 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 215 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 216 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 217 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 222 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 223 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 224 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 225 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 226 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 227 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 228 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 229 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 230 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 231 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 232 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 233 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 234 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 235 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 236 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 237 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 238 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 239 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 240 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 241 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 242 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 243 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 244 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 245 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 246 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 247 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 248 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 249 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 250 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 251 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 252 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 253 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 254 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 255 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 256 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 257 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 258 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 259 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 260 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 261 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 262 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 263 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 264 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 265 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 266 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 267 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 268 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 269 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 270 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 271 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 272 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 273 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 274 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 275 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 276 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 277 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 278 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 279 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 280 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 281 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 282 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 283 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 284 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 285 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 286 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 287 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 288 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 289 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 290 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 291 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 292 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 293 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 294 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 295 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 296 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 297 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 298 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 299 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 300 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 301 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 302 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 303 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 304 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 305 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 306 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 307 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 308 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 309 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 310 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 311 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 312 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 313 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 314 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 315 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 316 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 317 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 318 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 319 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 320 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 321 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 322 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 323 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 324 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 325 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 326 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 327 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 328 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 329 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 330 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 331 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 332 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 333 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 334 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 335 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 336 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 337 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 338 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 339 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 340 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 341 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 342 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 343 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 344 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 345 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 346 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 347 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 348 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 349 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 350 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 351 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 352 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 353 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 354 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 355 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 356 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 357 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 358 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 359 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 360 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 361 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 362 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 363 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 364 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 365 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 366 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 367 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 368 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 369 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 370 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 371 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 372 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 373 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 374 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 375 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 376 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 377 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 378 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 379 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 380 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 381 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 382 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 383 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 384 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 385 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 386 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 387 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 388 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 389 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 390 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 391 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 392 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 393 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 394 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 395 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 396 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 397 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 398 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 399 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 400 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 401 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 402 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 407 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 408 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 409 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 410 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 411 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 412 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 413 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 414 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 415 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 416 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 417 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 418 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 419 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 420 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 421 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 422 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 423 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 424 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 425 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 426 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 427 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 428 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 429 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 430 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 431 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 432 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 433 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 434 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 435 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 436 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 437 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 438 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 439 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 440 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 441 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 442 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 443 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 444 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 445 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 446 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 447 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 448 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 449 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 450 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 451 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 452 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 453 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 454 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 455 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 456 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 457 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 458 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 459 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 460 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 461 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 462 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 463 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 464 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 465 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 466 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 467 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 468 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 469 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 470 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 471 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 472 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 473 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 474 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 475 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 480 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 481 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 482 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 483 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 484 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 485 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 486 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 487 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 492 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 493 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 494 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 495 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 496 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 497 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 498 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 499 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 500 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 501 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 502 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 503 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 504 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 505 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 506 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 507 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 508 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 509 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 510 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 511 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 512 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 513 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 514 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 515 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 516 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 517 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 518 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 519 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 520 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 521 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 522 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 523 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 524 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 525 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 526 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 527 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 528 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 529 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 530 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 531 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 532 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 533 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 534 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 535 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 536 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 537 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 538 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 539 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 540 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 541 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 542 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 543 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 548 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 549 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 550 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 551 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 552 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 553 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 554 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 555 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 556 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 557 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 558 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 559 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 560 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 561 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 562 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 563 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 564 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 565 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 566 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 567 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 568 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 569 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo124_s20.cif b/soup/screen/mmcifs/denovo124_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..1ef57ecfb44ce7e3409514fbc1b5c09fa3a90c2c --- /dev/null +++ b/soup/screen/mmcifs/denovo124_s20.cif @@ -0,0 +1,601 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 14 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 15 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 16 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 21 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 22 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 23 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 24 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 25 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 30 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 31 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 32 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 33 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 34 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 35 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 36 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 37 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 38 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 39 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 40 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 41 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 42 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 43 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 44 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 45 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 46 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 47 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 48 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 49 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 50 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 51 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 52 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 53 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 54 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 55 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 56 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 57 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 58 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 59 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 60 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 61 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 62 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 63 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 64 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 65 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 66 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 67 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 68 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 69 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 70 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 71 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 72 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 73 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 74 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 75 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 76 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 77 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 78 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 79 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 80 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 81 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 82 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 83 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 84 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 85 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 86 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 87 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 88 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 89 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 90 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 91 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 92 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 93 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 94 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 95 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 96 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 97 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 98 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 99 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 100 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 101 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 102 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 103 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 104 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 105 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 106 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 107 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 108 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 109 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 110 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 115 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 116 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 117 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 118 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 119 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 120 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 121 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 122 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 123 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 124 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 125 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 126 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 127 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 128 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 129 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 130 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 131 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 132 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 133 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 134 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 139 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 140 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 141 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 142 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 147 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 148 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 149 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 150 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 151 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 152 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 153 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 154 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 155 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 156 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 161 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 162 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 163 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 164 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 165 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 166 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 167 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 168 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 169 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 170 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 171 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 172 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 173 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 174 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 175 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 176 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 177 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 178 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 179 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 180 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 181 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 182 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 183 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 184 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 185 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 186 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 187 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 188 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 193 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 194 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 195 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 200 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 201 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 202 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 203 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 204 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 205 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 206 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 211 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 212 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 213 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 218 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 219 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 220 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 221 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 222 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 223 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 224 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 225 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 226 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 227 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 228 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 233 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 234 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 235 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 244 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 245 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 246 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 247 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 248 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 249 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 250 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 251 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 252 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 253 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 254 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 255 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 256 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 257 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 258 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 259 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 260 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 261 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 262 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 263 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 264 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 265 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 266 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 267 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 268 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 269 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 270 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 271 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 272 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 273 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 274 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 275 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 276 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 277 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 278 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 279 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 280 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 281 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 282 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 287 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 288 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 289 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 290 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 291 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 292 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 293 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 294 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 295 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 296 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 297 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 298 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 299 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 300 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 301 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 302 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 303 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 304 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 305 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 306 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 307 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 308 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 309 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 310 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 311 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 312 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 313 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 314 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 315 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 316 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 317 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 318 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 319 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 320 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 321 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 322 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 323 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 324 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 325 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 326 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 327 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 328 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 329 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 330 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 331 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 332 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 333 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 334 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 335 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 336 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 337 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 338 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 343 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 344 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 345 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 350 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 351 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 352 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 353 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 354 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 359 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 360 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 361 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 362 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 363 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 368 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 369 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 370 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 371 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 372 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 373 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 374 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 375 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 376 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 377 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 378 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 379 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 380 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 381 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 382 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 383 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 384 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 385 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 386 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 387 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 388 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 389 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 390 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 391 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 392 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 393 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 394 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 395 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 396 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 397 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 398 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 399 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 400 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 401 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 402 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 403 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 404 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 405 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 406 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 407 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 408 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 409 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 410 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 411 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 412 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 413 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 414 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 415 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 416 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 417 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 418 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 419 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 420 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 421 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 422 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 423 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 424 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 425 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 426 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 427 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 428 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 429 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 430 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 431 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 432 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 433 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 434 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 435 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 436 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 437 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 438 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 439 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 440 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 441 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 442 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 443 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 444 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 445 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 446 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 447 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 448 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 449 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 450 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 451 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 452 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 453 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 454 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 455 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 456 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 457 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 458 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 459 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 460 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 461 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 462 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 463 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 464 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 465 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 466 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 467 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 468 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 469 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 470 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 471 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 472 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 473 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 474 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 475 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 476 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 477 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 478 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 479 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 480 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 481 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 482 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 483 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 484 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 485 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 486 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 487 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 488 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 489 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 490 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 491 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 492 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 493 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 494 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 495 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 496 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 497 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 498 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 499 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 500 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 501 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 502 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 503 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 504 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 505 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 506 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 507 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 508 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 509 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 510 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 511 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 512 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 513 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 514 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 515 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 516 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 517 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 518 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 519 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 520 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 521 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 522 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 523 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 524 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 525 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 526 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 527 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 528 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 529 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 530 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 531 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 532 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 533 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 534 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 535 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 536 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 537 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 538 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 539 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 540 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 541 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 542 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 543 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 544 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 545 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 546 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 547 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 548 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 549 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 550 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 551 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 552 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 553 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 554 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 555 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 556 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 557 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 558 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 559 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 560 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 561 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 562 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 563 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 564 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 565 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 566 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 571 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 572 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 573 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 574 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 575 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 576 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 577 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 578 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 579 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 580 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 581 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 582 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 583 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 584 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 585 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo125_s20.cif b/soup/screen/mmcifs/denovo125_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c4cc7bd6b31459f12c29627100e40dc1a9d57b88 --- /dev/null +++ b/soup/screen/mmcifs/denovo125_s20.cif @@ -0,0 +1,589 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 17 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 18 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 19 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 20 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 21 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 26 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 27 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 28 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 33 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 34 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 35 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 36 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 37 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 38 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 39 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 40 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 41 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 42 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 43 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 44 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 45 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 46 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 47 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 48 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 49 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 50 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 51 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 52 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 53 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 54 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 55 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 56 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 61 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 62 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 63 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 64 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 65 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 66 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 67 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 68 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 69 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 70 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 71 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 72 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 73 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 74 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 79 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 84 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 85 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 86 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 87 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 88 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 89 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 90 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 95 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 96 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 97 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 98 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 99 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 100 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 101 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 102 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 103 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 104 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 105 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 106 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 111 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 112 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 113 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 118 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 119 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 120 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 121 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 122 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 123 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 124 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 125 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 130 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 131 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 136 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 137 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 142 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 147 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 148 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 149 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 154 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 155 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 156 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 157 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 158 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 159 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 160 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 161 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 162 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 163 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 164 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 165 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 166 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 167 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 168 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 169 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 170 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 171 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 176 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 177 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 178 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 179 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 180 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 185 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 190 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 191 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 192 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 193 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 198 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 199 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 200 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 205 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 206 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 211 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 212 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 213 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 214 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 215 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 216 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 217 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 218 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 219 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 224 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 225 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 226 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 227 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 228 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 229 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 230 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 235 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 236 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 237 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 238 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 239 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 240 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 241 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 242 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 243 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 248 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 249 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 254 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 255 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 256 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 257 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 258 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 259 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 260 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 261 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 262 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 263 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 264 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 265 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 266 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 267 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 268 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 269 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 270 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 271 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 272 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 273 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 274 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 275 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 276 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 277 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 278 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 279 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 280 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 281 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 282 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 283 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 284 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 285 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 286 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 287 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 288 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 289 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 290 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 291 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 292 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 293 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 294 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 295 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 296 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 297 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 298 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 299 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 300 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 301 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 302 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 303 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 304 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 305 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 306 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 307 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 308 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 309 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 310 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 311 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 312 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 313 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 314 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 315 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 316 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 317 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 318 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 319 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 320 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 321 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 322 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 323 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 324 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 325 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 326 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 327 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 328 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 329 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 330 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 331 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 332 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 333 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 334 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 335 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 336 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 337 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 338 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 339 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 340 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 341 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 342 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 343 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 344 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 345 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 346 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 347 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 348 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 349 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 350 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 351 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 352 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 353 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 354 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 355 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 356 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 357 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 358 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 359 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 360 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 361 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 362 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 363 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 364 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 365 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 366 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 367 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 368 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 369 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 370 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 375 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 376 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 377 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 378 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 379 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 380 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 381 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 382 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 383 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 384 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 385 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 386 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 387 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 388 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 389 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 390 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 391 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 392 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 393 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 394 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 395 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 396 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 397 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 398 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 399 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 400 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 401 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 402 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 403 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 404 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 405 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 406 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 407 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 408 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 409 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 410 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 411 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 412 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 413 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 414 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 415 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 416 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 417 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 418 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 419 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 420 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 421 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 422 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 423 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 424 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 425 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 426 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 427 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 428 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 429 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 430 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 431 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 432 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 433 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 434 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 435 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 440 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 441 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 442 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 443 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 444 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 445 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 446 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 447 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 448 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 449 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 450 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 451 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 452 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 453 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 454 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 455 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 456 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 457 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 458 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 459 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 460 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 461 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 462 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 463 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 464 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 465 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 466 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 467 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 468 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 469 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 470 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 471 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 472 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 473 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 474 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 475 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 476 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 477 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 478 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 479 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 480 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 481 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 482 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 483 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 484 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 485 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 486 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 487 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 488 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 489 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 490 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 491 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 492 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 493 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 494 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 495 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 496 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 497 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 498 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 499 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 500 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 501 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 502 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 503 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 504 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 505 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 506 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 507 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 508 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 509 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 510 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 511 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 512 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 513 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 514 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 515 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 516 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 517 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 518 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 519 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 520 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 521 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 522 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 523 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 524 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 525 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 526 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 527 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 528 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 529 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 530 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 531 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 532 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 533 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 534 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 535 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 536 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 537 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 538 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 539 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 540 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 541 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 542 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 543 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 544 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 545 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 550 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 551 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 552 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 553 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 554 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 555 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 556 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 557 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 558 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 559 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 560 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 561 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 562 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 563 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 564 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 565 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 566 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 567 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 568 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 569 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 570 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 571 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 572 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 573 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo126_s20.cif b/soup/screen/mmcifs/denovo126_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..272cb268f643d50a4983820be1c8d988d57f40c0 --- /dev/null +++ b/soup/screen/mmcifs/denovo126_s20.cif @@ -0,0 +1,609 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 13 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 14 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 15 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 24 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 25 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 26 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 27 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 28 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 29 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 30 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 31 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 32 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 33 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 34 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 35 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 36 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 37 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 38 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 39 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 40 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 41 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 42 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 43 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 44 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 45 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 46 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 47 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 48 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 49 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 50 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 51 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 52 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 53 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 54 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 55 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 56 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 57 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 58 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 59 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 60 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 61 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 62 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 63 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 64 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 65 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 66 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 67 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 68 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 69 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 70 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 71 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 72 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 73 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 74 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 75 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 76 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 77 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 78 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 79 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 80 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 81 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 82 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 83 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 84 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 85 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 86 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 87 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 88 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 89 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 90 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 91 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 92 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 93 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 94 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 95 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 96 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 97 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 98 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 99 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 100 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 101 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 102 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 103 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 104 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 105 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 106 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 107 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 108 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 109 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 110 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 111 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 112 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 113 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 114 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 115 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 116 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 117 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 118 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 119 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 120 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 121 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 122 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 123 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 124 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 125 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 126 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 127 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 128 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 129 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 130 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 131 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 132 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 133 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 134 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 135 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 136 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 137 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 138 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 139 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 140 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 141 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 142 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 147 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 148 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 149 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 150 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 151 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 152 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 153 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 154 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 155 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 156 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 157 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 158 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 159 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 160 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 161 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 162 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 163 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 164 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 165 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 166 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 167 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 168 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 169 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 170 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 171 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 172 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 173 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 174 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 175 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 176 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 177 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 178 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 179 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 180 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 181 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 182 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 183 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 184 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 185 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 186 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 187 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 188 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 189 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 190 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 191 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 192 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 193 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 194 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 195 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 196 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 197 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 198 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 199 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 200 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 201 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 202 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 203 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 204 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 205 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 206 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 207 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 208 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 209 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 210 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 211 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 212 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 213 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 214 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 219 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 224 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 225 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 230 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 231 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 232 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 233 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 234 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 239 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 240 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 241 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 242 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 243 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 244 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 245 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 246 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 247 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 248 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 249 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 250 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 251 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 252 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 253 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 254 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 255 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 256 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 257 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 258 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 259 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 260 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 261 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 262 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 263 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 264 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 265 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 266 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 267 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 268 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 269 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 270 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 271 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 272 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 273 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 274 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 275 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 276 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 281 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 282 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 283 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 288 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 289 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 290 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 291 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 292 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 293 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 294 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 295 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 296 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 297 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 298 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 299 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 304 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 305 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 310 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 311 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 312 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 313 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 314 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 315 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 316 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 317 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 318 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 319 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 320 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 321 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 322 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 323 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 324 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 325 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 326 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 327 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 328 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 329 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 330 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 331 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 332 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 333 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 334 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 335 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 336 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 337 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 338 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 339 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 340 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 341 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 342 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 343 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 344 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 345 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 346 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 347 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 348 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 349 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 350 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 351 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 352 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 353 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 354 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 355 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 356 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 357 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 358 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 359 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 360 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 361 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 362 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 363 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 364 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 365 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 366 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 367 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 368 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 369 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 370 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 375 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 376 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 377 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 378 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 379 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 380 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 381 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 382 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 383 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 384 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 389 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 390 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 391 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 392 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 393 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 394 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 395 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 396 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 397 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 398 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 399 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 400 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 401 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 402 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 403 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 404 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 405 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 406 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 407 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 408 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 409 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 410 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 411 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 412 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 413 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 414 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 415 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 416 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 417 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 418 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 419 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 420 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 421 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 422 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 423 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 424 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 425 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 426 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 427 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 428 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 429 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 430 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 431 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 432 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 433 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 434 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 435 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 436 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 437 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 438 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 439 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 440 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 441 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 442 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 443 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 444 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 445 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 446 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 447 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 448 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 449 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 450 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 451 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 452 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 453 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 454 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 455 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 456 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 457 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 458 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 459 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 460 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 461 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 462 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 463 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 464 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 465 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 466 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 467 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 468 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 469 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 470 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 471 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 472 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 473 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 474 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 475 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 476 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 477 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 478 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 479 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 480 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 481 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 482 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 483 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 484 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 485 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 486 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 487 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 488 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 489 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 490 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 491 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 492 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 493 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 494 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 495 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 496 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 497 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 498 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 499 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 500 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 501 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 502 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 503 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 504 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 505 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 506 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 507 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 508 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 509 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 510 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 511 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 512 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 513 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 514 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 515 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 516 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 517 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 518 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 519 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 520 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 521 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 522 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 523 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 524 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 525 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 526 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 527 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 528 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 529 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 530 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 531 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 532 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 533 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 534 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 535 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 536 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 537 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 538 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 539 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 540 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 541 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 542 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 543 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 544 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 545 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 546 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 547 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 548 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 549 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 550 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 551 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 552 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 553 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 554 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 555 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 556 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 557 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 558 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 559 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 560 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 561 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 562 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 563 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 564 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 565 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 566 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 567 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 568 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 569 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 570 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 571 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 572 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 573 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 574 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 575 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 576 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 577 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 578 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 579 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 580 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 581 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 582 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 583 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 584 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 585 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 586 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 587 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 588 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 589 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 590 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 591 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 592 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 593 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo127_s20.cif b/soup/screen/mmcifs/denovo127_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..21b18946c3e7372ba2c4d9dc7b652203062f1cdf --- /dev/null +++ b/soup/screen/mmcifs/denovo127_s20.cif @@ -0,0 +1,649 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 15 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 16 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 17 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 18 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 19 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 24 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 25 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 26 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 27 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 28 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 33 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 34 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 35 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 36 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 37 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 42 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 51 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 52 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 53 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 58 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 59 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 64 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 65 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 66 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 71 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 72 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 73 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 74 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 75 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 76 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 77 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 86 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 87 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 88 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 93 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 94 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 95 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 100 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 101 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 102 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 103 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 104 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 105 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 106 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 107 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 108 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 109 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 110 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 115 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 116 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 117 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 118 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 119 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 124 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 125 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 126 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 127 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 128 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 129 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 130 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 135 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 136 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 137 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 138 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 139 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 140 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 141 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 146 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 147 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 148 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 149 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 150 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 151 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 152 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 153 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 154 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 155 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 156 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 157 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 158 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 159 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 160 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 165 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 166 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 167 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 168 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 169 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 170 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 171 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 172 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 173 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 174 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 175 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 176 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 181 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 182 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 183 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 184 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 185 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 190 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 191 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 192 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 193 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 198 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 199 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 200 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 201 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 202 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 203 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 204 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 205 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 206 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 207 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 208 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 209 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 210 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 211 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 212 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 213 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 214 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 215 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 220 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 221 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 222 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 223 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 224 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 229 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 230 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 231 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 232 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 233 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 234 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 235 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 236 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 237 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 238 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 239 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 240 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 241 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 242 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 243 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 244 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 245 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 246 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 247 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 248 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 249 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 250 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 251 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 252 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 253 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 254 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 255 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 256 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 257 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 258 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 259 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 260 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 261 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 262 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 263 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 264 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 265 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 266 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 267 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 268 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 269 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 270 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 271 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 272 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 273 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 274 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 275 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 276 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 277 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 278 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 279 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 280 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 281 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 282 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 283 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 288 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 289 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 290 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 291 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 296 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 297 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 298 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 299 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 300 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 301 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 302 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 303 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 304 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 305 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 306 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 307 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 308 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 309 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 310 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 311 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 312 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 313 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 314 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 315 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 316 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 317 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 318 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 319 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 320 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 321 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 322 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 323 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 324 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 325 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 326 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 327 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 328 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 329 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 330 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 331 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 332 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 333 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 334 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 335 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 336 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 337 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 338 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 339 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 340 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 341 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 342 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 343 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 344 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 345 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 346 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 347 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 348 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 349 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 350 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 351 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 352 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 353 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 354 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 355 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 356 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 357 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 358 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 359 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 360 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 361 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 362 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 363 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 364 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 365 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 366 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 367 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 368 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 369 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 370 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 371 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 372 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 373 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 374 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 375 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 376 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 377 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 378 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 379 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 380 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 381 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 382 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 383 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 384 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 385 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 386 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 387 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 388 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 389 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 390 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 391 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 392 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 393 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 394 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 395 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 396 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 397 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 398 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 399 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 400 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 401 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 402 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 403 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 404 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 405 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 406 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 407 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 408 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 409 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 410 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 411 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 412 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 413 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 414 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 415 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 416 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 417 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 418 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 419 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 420 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 421 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 422 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 423 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 424 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 425 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 426 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 427 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 428 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 429 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 430 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 431 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 432 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 433 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 434 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 435 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 436 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 437 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 438 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 439 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 440 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 441 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 442 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 443 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 444 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 445 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 446 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 447 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 448 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 449 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 450 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 451 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 452 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 453 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 454 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 455 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 456 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 457 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 458 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 459 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 460 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 461 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 462 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 463 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 464 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 465 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 466 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 467 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 468 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 469 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 470 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 471 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 472 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 473 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 474 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 475 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 476 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 477 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 478 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 479 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 480 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 481 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 482 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 483 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 484 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 485 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 486 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 487 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 488 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 489 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 490 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 491 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 492 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 493 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 494 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 495 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 496 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 497 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 498 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 499 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 500 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 501 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 502 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 503 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 504 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 505 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 506 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 507 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 508 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 509 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 510 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 511 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 512 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 513 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 514 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 515 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 516 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 517 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 518 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 519 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 520 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 521 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 522 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 523 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 524 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 525 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 526 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 527 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 528 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 529 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 530 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 531 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 532 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 533 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 534 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 535 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 536 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 537 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 538 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 539 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 540 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 541 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 542 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 543 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 544 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 545 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 546 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 547 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 548 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 549 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 550 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 551 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 552 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 553 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 554 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 555 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 556 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 557 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 558 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 559 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 560 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 561 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 562 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 563 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 564 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 565 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 566 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 567 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 568 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 569 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 570 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 571 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 572 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 573 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 574 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 575 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 576 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 577 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 578 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 579 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 580 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 581 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 582 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 583 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 584 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 585 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 586 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 587 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 588 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 589 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 590 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 591 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 592 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 593 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 594 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 595 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 596 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 597 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 598 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 599 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 600 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 601 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 602 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 603 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 604 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 605 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 606 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 607 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 608 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 609 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 610 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 611 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 612 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 613 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 614 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 615 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 616 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 617 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 618 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 619 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 620 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 621 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 622 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 623 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 624 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 625 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 626 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 627 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 628 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 629 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 630 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 631 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 632 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 633 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo128_s20.cif b/soup/screen/mmcifs/denovo128_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f7994f3a956bfa51c3e62416b27cf7ce6782fff1 --- /dev/null +++ b/soup/screen/mmcifs/denovo128_s20.cif @@ -0,0 +1,612 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 12 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 13 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 14 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 15 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 16 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 17 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 18 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 27 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 28 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 29 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 30 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 35 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 36 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 41 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 42 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 43 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 48 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 49 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 50 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 51 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 52 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 53 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 54 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 59 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 60 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 61 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 66 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 67 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 68 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 69 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 70 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 75 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 76 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 77 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 78 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 79 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 80 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 81 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 86 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 87 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 88 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 89 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 90 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 91 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 92 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 93 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 94 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 95 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 96 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 97 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 98 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 99 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 100 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 101 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 102 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 103 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 104 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 105 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 106 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 107 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 108 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 109 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 110 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 111 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 112 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 113 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 114 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 115 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 116 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 117 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 118 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 119 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 120 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 121 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 122 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 123 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 124 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 125 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 126 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 127 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 128 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 129 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 130 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 131 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 132 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 133 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 134 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 135 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 136 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 137 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 138 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 139 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 140 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 141 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 142 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 143 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 144 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 145 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 146 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 147 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 148 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 149 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 150 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 151 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 152 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 153 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 154 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 155 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 156 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 157 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 158 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 159 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 160 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 161 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 162 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 163 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 164 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 165 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 166 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 167 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 168 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 169 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 174 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 175 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 176 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 177 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 178 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 179 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 180 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 181 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 182 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 183 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 184 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 185 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 186 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 187 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 192 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 193 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 194 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 195 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 196 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 197 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 198 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 199 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 200 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 201 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 202 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 203 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 204 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 205 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 206 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 207 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 208 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 209 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 210 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 211 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 212 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 213 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 214 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 215 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 216 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 217 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 218 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 219 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 220 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 221 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 222 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 223 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 224 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 225 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 226 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 227 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 228 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 229 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 230 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 231 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 232 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 233 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 234 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 235 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 236 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 237 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 238 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 239 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 240 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 241 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 242 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 243 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 244 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 245 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 246 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 247 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 248 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 249 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 250 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 251 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 252 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 253 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 254 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 255 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 256 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 257 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 258 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 259 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 260 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 261 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 262 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 263 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 264 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 265 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 266 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 267 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 268 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 269 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 270 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 271 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 272 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 273 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 274 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 275 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 276 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 277 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 278 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 279 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 280 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 281 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 282 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 283 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 284 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 285 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 286 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 287 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 288 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 289 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 290 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 291 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 292 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 293 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 294 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 295 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 296 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 297 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 298 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 299 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 300 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 301 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 302 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 303 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 304 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 305 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 306 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 307 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 308 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 309 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 310 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 311 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 312 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 313 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 314 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 315 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 316 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 317 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 318 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 319 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 320 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 321 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 322 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 323 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 324 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 325 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 326 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 327 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 328 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 329 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 330 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 331 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 332 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 333 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 334 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 335 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 336 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 337 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 338 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 339 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 340 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 341 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 342 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 343 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 344 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 345 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 346 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 347 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 348 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 349 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 350 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 351 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 352 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 353 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 354 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 355 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 356 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 357 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 358 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 359 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 360 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 361 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 362 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 363 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 364 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 365 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 366 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 367 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 368 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 369 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 370 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 371 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 372 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 373 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 374 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 375 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 376 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 377 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 378 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 379 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 380 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 381 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 382 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 383 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 384 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 385 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 386 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 387 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 388 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 389 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 390 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 391 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 392 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 393 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 394 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 395 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 396 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 397 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 398 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 399 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 400 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 401 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 402 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 403 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 404 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 405 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 406 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 411 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 412 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 413 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 414 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 415 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 416 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 417 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 418 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 419 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 420 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 421 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 422 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 423 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 424 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 425 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 426 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 427 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 428 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 429 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 430 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 431 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 432 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 433 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 434 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 435 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 436 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 437 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 438 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 439 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 440 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 441 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 442 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 443 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 444 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 445 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 446 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 447 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 448 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 449 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 450 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 451 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 452 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 453 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 454 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 455 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 456 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 457 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 458 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 459 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 460 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 461 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 462 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 463 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 464 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 465 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 466 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 467 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 468 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 469 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 470 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 471 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 472 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 473 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 474 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 475 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 476 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 477 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 478 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 479 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 480 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 481 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 482 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 483 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 484 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 485 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 486 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 487 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 488 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 489 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 490 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 491 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 492 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 493 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 494 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 495 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 496 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 497 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 498 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 499 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 500 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 501 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 502 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 503 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 504 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 505 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 506 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 507 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 508 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 509 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 510 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 511 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 512 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 513 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 514 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 515 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 516 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 517 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 518 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 519 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 520 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 521 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 522 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 523 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 524 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 525 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 526 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 527 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 528 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 529 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 530 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 531 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 532 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 533 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 534 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 535 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 536 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 537 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 538 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 539 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 540 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 541 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 542 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 543 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 544 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 545 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 546 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 547 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 548 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 549 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 550 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 551 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 552 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 553 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 554 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 555 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 556 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 557 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 558 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 559 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 560 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 561 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 562 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 563 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 564 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 565 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 566 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 567 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 568 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 569 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 570 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 571 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 572 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 573 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 574 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 575 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 576 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 577 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 578 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 579 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 580 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 581 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 582 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 583 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 584 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 585 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 586 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 587 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 588 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 589 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 590 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 591 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 592 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 593 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 594 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 595 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 596 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo129_s20.cif b/soup/screen/mmcifs/denovo129_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..feaa069d55d7e129b2d97ef699b76ed84c40eb29 --- /dev/null +++ b/soup/screen/mmcifs/denovo129_s20.cif @@ -0,0 +1,613 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 13 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 14 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 15 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 16 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 17 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 22 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 23 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 24 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 29 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 30 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 31 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 32 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 33 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 38 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 39 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 40 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 41 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 42 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 47 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 48 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 49 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 50 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 55 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 56 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 57 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 62 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 67 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 68 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 69 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 70 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 71 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 72 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 73 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 74 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 75 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 76 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 77 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 78 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 79 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 80 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 85 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 86 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 87 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 88 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 89 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 90 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 91 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 92 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 93 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 94 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 95 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 96 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 97 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 98 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 99 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 100 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 101 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 102 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 103 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 104 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 105 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 106 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 107 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 108 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 109 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 110 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 111 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 112 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 113 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 118 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 119 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 120 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 121 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 122 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 123 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 124 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 125 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 126 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 127 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 128 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 129 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 130 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 131 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 132 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 133 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 134 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 135 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 136 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 137 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 138 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 139 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 140 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 141 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 142 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 143 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 144 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 145 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 146 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 147 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 148 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 149 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 150 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 151 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 152 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 153 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 154 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 155 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 156 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 157 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 158 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 159 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 160 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 161 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 162 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 163 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 164 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 165 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 166 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 167 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 168 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 169 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 170 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 171 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 172 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 173 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 174 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 175 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 176 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 177 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 178 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 179 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 180 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 181 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 182 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 183 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 184 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 185 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 186 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 187 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 188 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 189 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 190 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 191 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 192 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 193 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 194 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 195 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 196 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 197 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 198 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 199 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 200 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 201 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 202 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 203 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 204 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 205 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 206 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 207 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 208 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 209 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 210 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 211 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 212 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 213 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 214 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 215 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 216 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 217 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 218 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 219 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 220 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 221 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 222 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 223 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 224 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 225 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 226 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 227 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 228 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 229 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 230 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 231 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 232 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 233 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 234 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 235 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 236 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 237 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 238 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 239 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 240 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 241 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 242 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 243 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 244 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 245 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 246 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 247 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 248 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 249 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 250 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 251 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 252 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 253 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 254 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 255 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 256 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 257 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 258 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 259 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 260 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 261 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 262 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 263 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 264 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 265 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 266 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 267 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 268 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 269 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 270 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 271 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 272 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 273 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 274 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 275 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 276 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 277 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 278 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 279 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 280 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 281 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 282 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 283 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 284 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 285 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 286 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 287 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 288 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 289 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 290 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 291 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 292 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 293 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 294 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 299 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 300 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 301 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 302 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 303 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 304 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 305 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 306 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 307 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 308 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 309 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 310 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 311 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 312 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 313 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 314 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 315 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 316 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 317 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 318 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 319 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 320 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 321 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 322 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 323 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 324 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 325 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 326 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 327 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 328 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 329 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 330 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 331 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 332 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 333 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 334 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 335 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 336 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 337 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 338 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 339 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 340 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 341 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 342 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 343 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 344 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 345 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 346 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 347 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 348 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 349 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 350 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 351 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 352 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 353 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 354 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 355 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 356 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 357 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 358 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 359 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 360 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 361 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 362 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 363 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 364 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 365 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 366 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 367 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 368 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 369 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 370 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 371 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 372 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 373 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 374 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 375 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 376 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 377 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 378 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 379 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 380 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 381 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 382 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 383 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 384 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 385 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 386 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 387 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 388 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 389 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 390 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 391 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 392 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 393 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 394 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 395 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 396 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 397 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 398 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 399 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 400 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 401 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 402 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 403 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 404 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 405 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 406 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 407 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 408 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 409 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 410 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 411 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 412 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 413 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 414 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 415 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 416 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 417 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 418 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 419 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 420 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 421 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 422 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 423 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 424 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 425 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 426 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 427 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 428 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 429 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 430 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 431 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 432 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 433 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 434 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 435 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 436 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 437 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 438 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 439 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 440 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 441 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 442 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 443 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 444 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 445 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 446 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 447 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 448 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 449 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 450 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 451 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 452 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 453 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 454 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 455 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 456 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 457 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 458 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 459 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 460 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 461 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 462 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 463 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 464 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 465 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 466 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 467 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 468 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 473 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 474 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 475 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 476 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 477 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 478 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 479 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 480 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 481 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 482 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 483 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 484 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 485 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 486 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 487 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 488 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 489 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 490 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 491 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 492 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 493 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 494 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 495 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 496 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 497 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 498 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 499 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 500 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 501 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 506 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 507 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 508 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 509 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 510 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 511 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 512 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 513 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 514 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 515 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 516 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 517 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 518 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 519 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 520 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 521 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 522 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 523 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 524 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 525 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 526 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 527 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 528 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 529 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 530 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 531 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 532 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 533 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 534 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 535 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 536 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 537 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 538 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 539 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 540 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 541 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 542 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 543 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 544 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 545 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 546 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 547 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 548 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 549 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 550 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 551 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 552 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 553 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 554 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 555 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 556 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 557 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 558 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 559 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 560 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 561 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 562 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 563 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 564 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 565 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 566 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 571 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 572 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 573 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 574 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 575 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 576 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 577 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 578 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 579 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 580 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 581 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 582 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 583 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 584 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 585 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 586 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 587 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 588 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 589 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 590 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 591 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 592 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 593 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 594 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 595 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 596 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 597 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo12_s20.cif b/soup/screen/mmcifs/denovo12_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e9bf3d2af406cd081468679ace30f49711317b94 --- /dev/null +++ b/soup/screen/mmcifs/denovo12_s20.cif @@ -0,0 +1,634 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 20 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 21 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 22 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 23 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 24 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 29 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 30 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 31 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 36 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 37 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 38 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 43 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 48 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 49 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 54 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 55 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 56 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 61 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 62 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 63 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 64 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 69 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 70 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 71 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 72 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 73 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 74 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 75 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 80 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 81 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 82 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 83 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 84 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 85 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 86 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 87 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 88 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 89 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 90 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 91 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 92 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 93 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 94 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 95 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 100 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 101 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 102 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 103 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 104 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 105 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 106 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 107 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 108 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 109 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 110 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 111 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 112 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 113 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 118 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 119 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 120 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 121 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 122 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 123 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 124 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 125 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 126 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 127 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 128 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 129 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 130 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 131 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 132 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 133 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 134 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 135 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 136 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 137 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 138 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 139 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 140 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 141 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 142 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 143 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 144 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 145 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 146 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 147 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 148 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 149 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 150 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 151 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 152 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 153 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 154 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 155 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 156 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 157 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 158 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 159 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 160 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 161 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 162 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 163 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 164 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 165 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 166 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 167 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 168 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 169 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 174 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 175 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 176 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 177 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 178 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 179 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 180 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 181 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 182 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 183 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 184 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 185 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 186 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 187 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 188 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 189 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 190 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 191 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 192 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 193 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 194 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 195 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 196 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 197 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 198 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 199 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 200 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 201 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 202 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 203 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 204 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 205 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 206 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 207 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 208 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 209 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 210 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 211 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 212 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 213 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 214 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 215 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 216 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 217 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 218 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 219 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 220 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 221 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 222 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 223 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 224 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 225 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 226 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 227 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 228 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 229 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 230 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 231 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 232 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 233 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 234 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 235 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 236 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 237 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 238 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 239 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 240 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 241 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 242 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 243 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 244 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 245 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 246 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 247 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 248 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 249 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 250 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 251 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 252 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 253 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 254 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 255 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 256 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 257 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 258 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 259 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 260 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 261 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 262 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 263 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 264 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 265 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 266 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 267 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 268 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 269 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 270 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 271 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 272 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 273 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 274 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 275 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 276 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 277 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 278 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 279 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 280 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 281 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 282 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 283 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 284 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 285 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 286 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 287 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 288 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 289 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 290 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 291 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 292 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 293 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 294 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 295 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 296 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 297 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 298 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 299 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 300 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 301 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 302 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 303 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 304 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 305 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 306 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 307 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 308 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 309 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 310 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 311 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 312 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 313 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 314 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 315 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 316 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 317 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 318 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 319 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 320 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 321 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 322 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 323 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 324 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 325 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 326 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 327 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 328 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 329 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 330 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 331 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 332 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 333 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 334 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 335 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 336 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 337 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 338 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 339 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 340 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 341 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 342 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 343 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 344 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 345 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 346 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 347 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 348 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 349 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 350 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 351 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 352 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 353 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 354 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 355 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 356 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 357 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 358 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 359 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 360 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 361 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 362 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 363 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 364 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 365 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 366 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 367 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 368 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 369 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 370 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 371 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 372 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 373 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 374 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 375 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 376 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 377 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 378 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 379 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 380 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 381 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 382 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 383 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 384 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 385 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 386 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 387 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 388 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 389 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 390 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 391 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 392 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 393 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 394 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 395 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 396 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 397 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 398 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 399 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 400 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 401 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 402 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 403 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 404 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 405 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 406 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 407 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 408 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 409 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 410 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 411 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 412 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 413 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 414 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 415 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 416 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 417 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 418 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 419 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 420 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 421 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 422 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 423 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 424 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 425 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 426 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 427 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 428 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 429 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 430 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 431 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 432 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 433 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 434 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 435 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 436 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 437 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 438 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 439 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 440 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 441 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 442 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 443 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 444 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 445 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 446 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 447 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 448 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 449 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 450 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 451 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 452 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 453 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 454 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 455 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 456 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 457 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 458 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 459 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 460 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 461 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 462 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 463 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 464 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 465 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 466 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 467 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 468 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 469 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 470 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 471 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 472 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 473 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 474 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 475 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 476 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 477 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 478 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 479 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 480 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 481 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 482 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 483 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 484 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 485 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 486 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 487 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 488 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 489 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 490 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 491 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 492 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 493 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 494 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 495 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 496 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 497 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 498 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 499 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 500 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 501 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 502 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 503 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 504 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 505 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 506 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 507 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 508 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 509 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 510 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 511 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 512 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 513 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 514 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 515 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 516 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 517 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 518 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 519 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 520 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 521 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 522 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 523 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 524 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 525 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 526 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 527 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 528 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 529 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 530 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 531 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 532 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 533 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 534 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 535 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 536 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 537 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 538 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 539 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 540 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 541 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 542 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 543 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 544 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 545 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 546 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 547 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 548 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 549 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 550 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 551 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 552 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 553 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 554 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 555 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 556 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 557 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 558 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 559 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 560 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 561 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 562 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 563 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 564 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 565 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 566 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 567 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 568 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 569 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 570 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 571 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 572 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 573 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 574 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 575 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 576 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 577 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 578 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 579 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 580 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 581 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 582 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 583 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 584 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 585 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 586 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 587 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 588 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 589 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 590 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 591 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 592 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 593 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 594 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 595 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 596 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 597 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 598 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 599 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 600 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 601 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 602 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 603 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 604 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 605 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 606 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 607 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 608 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 609 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 610 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 611 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 612 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 613 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 614 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 615 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 616 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 617 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 618 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo130_s20.cif b/soup/screen/mmcifs/denovo130_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..9c968b13215bcf072def2d9b361dbf18bfdde8b0 --- /dev/null +++ b/soup/screen/mmcifs/denovo130_s20.cif @@ -0,0 +1,592 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 13 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 18 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 23 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 24 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 25 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 26 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 27 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 28 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 29 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 34 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 35 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 36 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 41 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 42 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 43 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 48 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 49 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 50 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 55 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 56 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 57 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 62 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 63 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 64 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 73 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 74 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 75 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 80 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 81 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 82 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 87 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 88 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 89 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 94 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 95 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 96 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 97 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 98 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 99 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 100 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 101 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 102 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 107 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 108 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 109 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 110 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 111 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 112 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 113 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 118 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 119 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 120 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 121 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 122 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 123 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 124 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 125 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 126 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 127 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 128 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 129 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 130 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 131 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 132 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 133 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 134 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 135 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 136 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 137 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 138 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 139 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 140 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 141 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 142 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 143 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 144 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 145 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 146 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 147 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 148 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 149 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 150 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 151 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 152 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 153 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 154 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 155 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 156 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 157 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 158 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 159 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 160 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 161 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 162 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 163 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 164 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 165 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 166 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 167 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 168 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 169 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 170 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 171 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 172 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 173 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 174 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 175 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 176 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 177 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 178 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 179 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 180 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 181 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 182 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 183 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 184 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 185 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 186 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 187 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 188 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 189 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 190 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 191 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 192 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 193 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 194 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 195 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 196 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 197 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 198 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 199 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 200 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 201 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 202 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 203 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 204 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 205 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 206 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 207 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 208 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 209 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 210 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 211 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 212 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 213 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 214 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 215 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 216 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 217 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 218 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 219 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 220 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 221 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 222 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 223 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 224 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 225 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 226 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 227 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 228 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 229 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 230 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 231 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 232 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 233 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 234 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 235 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 236 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 237 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 238 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 239 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 240 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 241 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 242 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 243 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 244 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 245 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 246 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 247 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 248 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 249 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 250 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 251 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 252 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 253 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 254 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 255 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 256 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 257 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 258 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 259 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 260 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 261 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 262 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 263 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 264 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 265 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 266 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 267 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 268 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 269 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 270 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 271 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 272 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 273 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 274 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 275 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 276 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 277 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 278 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 279 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 280 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 281 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 282 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 283 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 284 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 285 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 286 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 287 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 288 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 289 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 290 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 291 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 292 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 293 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 294 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 295 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 296 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 297 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 298 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 299 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 300 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 301 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 302 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 303 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 304 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 305 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 306 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 307 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 308 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 309 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 310 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 311 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 312 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 313 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 314 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 315 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 316 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 317 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 318 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 319 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 320 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 321 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 322 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 323 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 324 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 325 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 326 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 327 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 328 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 329 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 330 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 331 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 332 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 333 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 334 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 335 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 336 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 337 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 338 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 339 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 340 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 341 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 342 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 343 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 344 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 345 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 346 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 347 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 348 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 349 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 350 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 351 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 352 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 353 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 354 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 355 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 356 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 357 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 358 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 359 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 360 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 361 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 362 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 363 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 364 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 365 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 366 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 367 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 368 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 369 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 370 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 371 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 372 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 373 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 374 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 375 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 376 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 377 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 378 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 379 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 380 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 381 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 382 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 383 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 384 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 385 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 386 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 387 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 388 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 389 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 390 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 391 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 392 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 393 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 394 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 399 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 400 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 401 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 402 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 403 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 404 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 405 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 406 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 407 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 408 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 409 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 410 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 411 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 412 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 413 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 414 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 415 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 416 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 417 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 418 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 419 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 420 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 421 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 422 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 423 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 424 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 425 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 426 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 427 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 428 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 429 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 430 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 431 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 432 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 433 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 434 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 435 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 436 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 437 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 438 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 439 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 440 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 441 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 442 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 443 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 444 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 445 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 446 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 447 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 448 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 449 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 450 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 451 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 452 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 453 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 454 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 455 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 456 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 457 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 458 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 459 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 460 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 461 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 462 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 463 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 464 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 465 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 466 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 467 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 468 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 469 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 470 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 471 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 472 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 473 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 474 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 475 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 476 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 477 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 478 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 479 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 480 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 481 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 482 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 483 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 484 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 485 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 486 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 487 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 488 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 489 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 490 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 491 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 492 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 493 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 494 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 495 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 496 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 497 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 498 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 499 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 500 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 501 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 502 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 503 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 504 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 509 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 510 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 511 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 512 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 513 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 514 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 515 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 516 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 517 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 518 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 519 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 524 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 525 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 526 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 527 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 528 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 533 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 534 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 535 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 536 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 537 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 538 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 539 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 540 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 541 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 542 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 543 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 544 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 545 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 550 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 551 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 552 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 553 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 554 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 555 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 556 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 557 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 558 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 559 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 560 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 561 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 562 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 563 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 564 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 565 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 566 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 567 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 568 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 569 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 570 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 571 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 572 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 573 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 574 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 575 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 576 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo131_s20.cif b/soup/screen/mmcifs/denovo131_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f6c2f08ec8b1c6c4ec2d1cd1a7c166d28caca0f1 --- /dev/null +++ b/soup/screen/mmcifs/denovo131_s20.cif @@ -0,0 +1,588 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 10 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 11 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 12 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 13 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 18 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 19 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 20 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 21 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 26 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 27 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 28 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 33 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 34 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 39 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 40 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 41 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 42 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 47 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 52 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 53 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 54 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 55 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 56 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 57 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 58 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 59 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 60 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 61 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 62 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 63 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 64 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 65 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 70 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 71 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 72 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 73 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 74 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 79 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 80 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 81 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 86 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 87 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 88 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 89 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 90 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 95 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 96 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 97 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 98 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 99 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 100 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 101 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 102 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 103 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 104 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 109 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 110 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 111 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 124 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 125 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 126 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 131 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 132 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 133 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 134 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 135 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 140 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 141 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 142 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 147 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 148 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 149 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 154 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 155 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 156 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 157 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 158 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 159 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 160 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 161 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 162 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 163 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 164 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 165 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 166 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 167 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 168 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 169 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 170 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 171 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 172 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 173 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 174 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 175 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 176 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 181 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 182 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 183 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 184 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 185 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 190 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 191 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 192 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 193 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 194 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 195 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 196 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 197 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 198 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 199 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 200 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 201 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 202 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 203 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 204 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 205 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 206 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 207 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 208 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 209 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 210 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 211 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 212 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 213 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 214 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 215 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 216 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 217 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 218 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 219 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 220 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 221 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 222 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 223 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 224 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 225 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 226 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 227 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 228 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 229 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 230 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 231 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 232 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 233 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 234 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 235 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 236 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 237 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 238 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 239 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 244 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 245 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 246 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 247 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 248 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 249 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 250 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 251 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 252 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 253 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 254 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 255 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 256 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 257 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 258 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 259 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 260 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 261 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 262 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 263 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 264 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 265 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 266 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 267 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 272 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 273 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 278 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 279 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 280 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 281 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 282 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 283 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 284 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 285 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 286 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 287 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 288 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 289 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 290 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 291 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 292 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 293 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 294 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 295 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 296 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 297 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 298 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 299 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 300 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 301 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 302 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 303 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 304 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 305 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 310 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 311 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 312 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 313 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 314 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 315 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 316 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 317 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 318 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 319 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 320 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 321 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 322 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 323 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 324 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 325 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 326 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 327 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 328 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 329 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 330 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 331 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 332 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 333 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 334 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 335 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 336 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 337 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 338 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 339 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 340 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 341 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 342 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 343 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 344 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 345 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 346 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 347 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 348 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 349 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 350 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 351 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 352 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 353 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 354 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 355 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 356 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 357 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 358 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 359 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 360 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 361 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 362 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 363 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 364 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 365 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 366 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 367 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 368 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 369 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 370 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 371 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 372 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 373 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 374 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 375 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 376 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 377 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 378 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 379 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 380 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 381 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 382 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 383 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 384 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 385 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 386 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 387 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 388 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 389 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 390 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 391 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 392 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 393 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 394 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 395 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 396 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 397 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 398 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 399 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 400 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 401 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 402 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 403 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 404 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 405 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 406 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 407 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 412 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 413 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 414 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 415 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 416 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 417 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 418 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 419 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 420 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 421 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 422 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 423 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 424 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 425 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 426 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 427 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 428 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 429 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 430 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 431 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 432 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 433 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 434 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 435 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 436 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 437 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 438 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 439 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 440 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 441 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 442 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 443 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 444 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 445 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 446 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 447 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 448 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 449 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 450 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 451 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 452 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 453 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 454 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 455 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 456 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 457 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 458 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 459 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 460 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 461 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 462 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 463 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 464 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 465 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 466 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 467 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 468 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 469 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 470 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 471 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 472 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 473 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 474 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 475 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 476 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 477 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 478 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 479 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 480 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 481 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 482 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 483 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 484 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 485 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 486 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 487 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 488 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 489 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 490 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 491 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 492 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 493 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 494 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 495 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 496 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 497 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 498 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 499 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 500 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 501 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 502 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 503 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 504 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 505 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 506 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 507 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 508 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 509 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 510 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 511 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 512 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 513 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 514 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 515 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 516 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 517 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 518 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 519 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 520 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 521 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 522 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 523 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 524 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 525 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 526 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 527 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 528 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 529 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 530 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 531 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 532 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 533 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 534 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 535 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 536 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 537 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 538 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 539 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 540 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 541 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 542 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 543 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 544 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 545 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 546 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 547 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 548 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 549 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 550 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 551 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 552 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 553 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 554 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 555 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 556 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 557 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 558 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 559 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 560 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 561 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 562 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 563 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 564 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 565 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 566 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 567 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 568 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 569 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 570 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 571 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 572 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo132_s20.cif b/soup/screen/mmcifs/denovo132_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..296f2b66ae423fc23bad3fbe804605d27700aa5f --- /dev/null +++ b/soup/screen/mmcifs/denovo132_s20.cif @@ -0,0 +1,602 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 15 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 16 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 17 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 18 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 19 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 24 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 29 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 30 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 31 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 36 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 37 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 38 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 43 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 44 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 45 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 54 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 55 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 56 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 61 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 62 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 63 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 64 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 65 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 70 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 75 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 76 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 77 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 78 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 79 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 80 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 81 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 86 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 87 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 88 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 89 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 94 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 99 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 100 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 101 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 106 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 107 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 108 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 109 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 110 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 111 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 112 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 117 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 118 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 119 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 124 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 125 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 126 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 135 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 136 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 137 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 142 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 143 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 144 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 145 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 146 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 147 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 148 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 149 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 150 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 151 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 152 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 153 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 154 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 155 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 156 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 157 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 158 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 159 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 160 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 161 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 162 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 167 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 168 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 169 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 174 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 179 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 180 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 181 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 182 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 183 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 184 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 185 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 186 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 187 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 188 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 189 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 190 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 191 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 192 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 193 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 194 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 195 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 196 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 197 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 198 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 199 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 200 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 201 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 202 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 203 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 204 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 205 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 206 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 207 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 212 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 213 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 214 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 215 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 216 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 221 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 222 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 223 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 224 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 225 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 226 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 227 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 228 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 229 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 230 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 235 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 236 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 237 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 238 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 239 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 240 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 241 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 242 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 243 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 244 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 245 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 246 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 247 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 248 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 249 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 254 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 255 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 256 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 257 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 258 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 259 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 260 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 261 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 262 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 263 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 264 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 265 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 266 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 267 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 268 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 269 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 274 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 275 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 276 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 277 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 278 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 279 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 280 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 281 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 282 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 283 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 284 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 285 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 290 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 291 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 292 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 297 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 298 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 299 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 304 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 305 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 306 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 307 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 308 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 309 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 310 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 311 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 312 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 313 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 314 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 315 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 316 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 317 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 318 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 319 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 320 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 321 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 322 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 323 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 324 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 325 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 326 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 327 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 328 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 329 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 330 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 331 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 332 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 333 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 334 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 335 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 336 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 337 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 338 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 343 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 344 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 345 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 346 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 347 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 348 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 349 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 350 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 351 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 352 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 353 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 354 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 355 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 356 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 357 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 362 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 363 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 364 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 365 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 366 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 367 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 368 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 369 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 370 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 379 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 380 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 381 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 382 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 383 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 384 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 385 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 386 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 387 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 388 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 389 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 390 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 395 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 396 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 401 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 402 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 403 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 404 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 409 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 410 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 411 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 416 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 417 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 418 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 419 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 420 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 421 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 422 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 423 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 424 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 425 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 426 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 427 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 428 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 429 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 430 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 435 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 436 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 437 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 438 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 439 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 440 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 441 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 442 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 443 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 444 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 445 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 446 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 447 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 448 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 449 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 450 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 451 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 452 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 453 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 454 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 455 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 456 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 457 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 458 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 459 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 460 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 461 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 462 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 463 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 464 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 465 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 466 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 467 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 468 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 469 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 470 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 471 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 472 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 473 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 474 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 475 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 476 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 477 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 478 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 479 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 480 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 481 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 482 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 483 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 484 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 485 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 486 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 487 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 492 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 493 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 494 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 495 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 496 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 497 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 498 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 499 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 500 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 501 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 502 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 503 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 504 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 505 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 506 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 507 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 508 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 509 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 510 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 511 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 512 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 513 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 514 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 515 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 516 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 517 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 518 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 519 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 520 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 521 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 522 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 523 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 524 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 525 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 526 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 527 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 528 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 529 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 530 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 531 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 532 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 533 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 534 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 535 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 536 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 537 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 538 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 539 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 540 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 541 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 542 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 543 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 544 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 545 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 546 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 547 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 548 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 549 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 550 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 551 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 552 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 553 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 554 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 555 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 556 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 557 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 558 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 559 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 560 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 561 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 562 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 563 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 564 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 565 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 566 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 567 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 568 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 569 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 570 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 571 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 572 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 573 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 574 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 575 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 576 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 577 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 578 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 579 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 580 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 581 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 582 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 583 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 584 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 585 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 586 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo133_s20.cif b/soup/screen/mmcifs/denovo133_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ef787ca02ae0075b73b3a384786f76631344883f --- /dev/null +++ b/soup/screen/mmcifs/denovo133_s20.cif @@ -0,0 +1,564 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 12 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 13 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 14 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 19 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 20 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 21 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 22 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 27 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 28 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 29 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 34 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 35 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 40 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 41 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 42 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 43 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 44 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 45 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 46 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 47 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 48 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 49 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 54 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 55 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 56 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 57 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 62 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 63 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 64 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 69 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 74 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 75 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 76 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 77 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 78 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 79 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 80 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 81 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 82 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 87 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 88 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 89 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 94 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 95 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 96 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 97 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 102 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 103 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 104 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 105 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 106 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 107 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 108 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 109 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 110 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 111 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 112 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 113 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 114 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 115 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 116 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 117 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 118 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 119 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 120 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 121 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 122 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 123 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 124 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 125 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 126 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 127 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 128 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 129 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 130 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 131 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 132 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 133 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 134 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 135 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 136 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 137 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 138 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 139 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 140 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 141 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 142 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 143 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 144 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 145 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 146 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 147 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 148 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 149 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 150 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 151 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 152 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 153 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 154 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 155 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 156 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 157 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 158 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 159 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 160 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 161 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 162 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 163 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 164 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 165 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 166 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 167 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 168 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 169 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 170 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 171 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 172 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 173 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 174 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 175 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 176 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 177 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 178 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 179 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 180 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 181 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 182 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 183 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 184 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 185 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 186 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 187 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 188 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 189 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 190 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 191 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 192 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 193 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 194 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 195 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 196 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 197 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 198 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 199 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 200 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 201 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 202 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 203 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 204 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 205 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 206 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 207 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 208 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 209 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 210 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 211 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 212 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 213 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 214 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 215 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 216 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 217 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 218 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 219 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 220 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 221 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 222 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 223 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 224 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 225 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 226 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 227 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 228 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 229 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 230 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 231 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 232 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 233 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 234 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 235 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 236 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 237 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 238 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 239 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 240 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 241 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 242 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 243 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 244 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 245 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 246 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 247 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 248 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 249 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 250 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 251 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 252 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 253 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 254 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 255 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 256 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 257 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 258 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 259 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 260 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 261 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 262 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 263 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 264 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 265 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 266 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 267 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 268 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 269 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 270 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 271 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 272 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 273 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 274 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 275 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 276 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 277 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 278 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 279 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 280 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 281 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 282 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 283 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 284 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 285 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 286 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 287 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 288 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 289 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 290 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 291 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 292 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 293 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 294 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 295 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 296 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 297 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 298 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 299 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 300 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 301 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 302 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 303 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 304 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 305 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 306 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 307 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 308 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 309 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 310 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 311 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 312 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 313 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 314 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 315 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 316 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 317 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 318 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 319 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 320 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 321 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 322 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 323 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 324 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 325 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 326 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 327 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 328 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 329 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 330 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 331 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 332 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 333 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 334 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 335 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 336 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 337 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 338 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 339 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 340 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 341 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 342 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 343 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 344 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 345 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 346 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 347 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 348 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 349 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 350 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 351 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 352 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 353 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 354 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 355 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 356 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 357 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 358 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 359 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 360 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 361 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 362 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 363 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 364 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 365 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 366 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 367 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 368 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 369 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 370 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 371 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 372 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 373 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 374 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 375 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 376 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 377 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 378 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 379 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 380 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 381 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 382 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 383 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 384 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 385 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 386 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 387 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 388 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 389 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 390 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 391 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 392 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 393 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 394 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 395 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 396 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 397 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 398 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 399 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 400 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 401 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 402 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 403 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 404 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 405 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 406 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 407 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 408 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 409 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 410 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 411 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 412 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 413 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 414 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 415 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 416 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 417 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 418 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 419 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 420 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 421 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 422 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 423 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 424 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 425 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 426 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 427 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 428 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 429 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 430 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 431 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 432 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 433 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 434 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 435 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 436 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 437 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 438 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 439 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 440 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 441 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 442 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 443 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 444 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 445 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 446 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 447 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 448 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 449 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 450 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 451 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 452 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 453 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 454 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 455 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 456 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 457 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 458 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 459 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 460 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 461 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 462 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 463 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 464 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 465 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 466 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 467 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 468 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 469 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 470 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 471 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 472 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 473 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 474 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 475 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 476 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 477 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 478 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 479 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 480 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 481 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 482 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 483 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 484 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 485 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 486 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 487 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 488 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 489 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 490 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 491 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 492 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 493 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 494 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 495 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 496 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 497 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 498 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 499 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 500 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 501 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 502 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 503 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 504 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 505 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 506 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 507 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 508 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 509 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 510 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 511 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 512 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 513 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 514 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 515 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 516 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 517 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 518 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 519 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 520 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 521 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 522 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 523 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 524 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 525 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 526 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 527 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 528 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 529 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 530 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 531 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 532 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 533 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 534 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 535 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 536 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 537 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 538 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 539 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 540 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 541 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 542 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 543 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 544 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 545 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 546 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 547 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 548 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo134_s20.cif b/soup/screen/mmcifs/denovo134_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6fa423ba0da98e977f23a386f8457e13fcf6f111 --- /dev/null +++ b/soup/screen/mmcifs/denovo134_s20.cif @@ -0,0 +1,594 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 11 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 12 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 13 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 18 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 19 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 20 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 21 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 26 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 27 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 28 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 33 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 38 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 39 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 40 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 41 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 42 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 43 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 44 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 49 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 50 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 51 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 60 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 61 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 62 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 67 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 68 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 69 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 70 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 75 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 76 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 77 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 78 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 79 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 84 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 85 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 86 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 87 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 88 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 89 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 90 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 95 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 96 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 97 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 98 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 99 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 100 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 101 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 102 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 103 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 104 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 105 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 106 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 107 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 108 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 113 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 114 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 115 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 120 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 121 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 122 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 127 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 128 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 133 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 134 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 135 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 136 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 137 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 142 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 143 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 144 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 145 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 146 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 147 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 148 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 149 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 150 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 151 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 152 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 153 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 158 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 159 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 160 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 161 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 162 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 163 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 164 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 165 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 166 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 167 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 168 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 169 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 170 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 171 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 172 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 173 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 174 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 175 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 176 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 177 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 178 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 179 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 180 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 181 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 182 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 183 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 184 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 189 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 190 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 191 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 192 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 193 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 194 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 195 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 196 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 197 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 198 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 199 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 200 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 201 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 202 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 203 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 204 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 205 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 206 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 207 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 208 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 209 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 210 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 211 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 212 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 213 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 214 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 215 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 216 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 217 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 218 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 219 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 220 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 225 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 226 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 227 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 232 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 233 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 234 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 239 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 240 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 241 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 242 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 243 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 244 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 245 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 246 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 247 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 248 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 249 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 250 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 251 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 252 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 253 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 254 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 255 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 256 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 257 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 258 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 259 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 260 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 261 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 262 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 263 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 264 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 265 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 266 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 267 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 268 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 269 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 270 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 271 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 272 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 273 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 274 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 275 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 276 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 277 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 278 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 279 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 280 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 281 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 282 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 283 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 284 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 285 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 286 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 287 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 288 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 289 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 290 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 291 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 292 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 293 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 294 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 299 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 300 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 301 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 302 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 303 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 304 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 305 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 306 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 307 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 308 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 309 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 310 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 311 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 312 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 313 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 314 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 315 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 316 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 317 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 318 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 319 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 320 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 321 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 322 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 323 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 324 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 325 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 326 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 327 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 328 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 329 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 330 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 331 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 332 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 333 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 334 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 335 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 336 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 337 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 338 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 339 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 340 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 341 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 342 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 343 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 344 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 345 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 346 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 347 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 348 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 349 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 350 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 351 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 352 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 353 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 354 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 355 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 356 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 357 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 358 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 359 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 360 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 361 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 362 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 363 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 364 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 365 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 366 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 367 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 368 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 369 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 370 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 371 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 372 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 373 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 374 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 375 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 376 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 377 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 378 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 379 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 380 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 381 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 382 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 383 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 384 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 385 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 386 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 387 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 388 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 389 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 390 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 391 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 392 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 393 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 398 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 399 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 400 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 401 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 402 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 403 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 404 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 405 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 406 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 407 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 408 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 409 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 410 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 411 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 412 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 413 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 414 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 415 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 416 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 417 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 418 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 419 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 420 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 421 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 422 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 423 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 424 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 425 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 426 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 427 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 428 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 429 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 430 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 435 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 436 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 437 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 438 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 439 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 440 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 441 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 442 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 443 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 444 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 445 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 446 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 447 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 448 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 449 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 450 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 451 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 452 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 453 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 454 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 455 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 456 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 457 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 458 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 459 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 460 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 461 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 462 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 463 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 464 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 465 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 466 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 467 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 468 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 469 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 470 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 471 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 472 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 473 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 474 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 475 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 476 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 477 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 478 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 479 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 480 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 481 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 482 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 483 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 484 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 485 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 486 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 487 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 488 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 489 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 490 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 491 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 492 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 493 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 494 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 495 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 496 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 497 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 498 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 499 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 500 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 501 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 502 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 503 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 504 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 505 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 506 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 507 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 508 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 509 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 510 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 511 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 512 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 513 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 514 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 515 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 516 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 517 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 518 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 519 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 520 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 521 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 522 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 523 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 524 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 525 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 530 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 531 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 532 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 533 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 534 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 535 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 536 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 537 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 538 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 539 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 540 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 541 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 542 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 543 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 544 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 545 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 546 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 547 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 548 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 549 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 550 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 551 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 552 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 553 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 554 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 555 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 556 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 557 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 558 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 559 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 560 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 561 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 562 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 563 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 564 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 565 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 566 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 567 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 568 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 569 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 570 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 571 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 572 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 573 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 574 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 575 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 576 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 577 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 578 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo135_s20.cif b/soup/screen/mmcifs/denovo135_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2416a168f0a52cca883051b539c9bd69015e701e --- /dev/null +++ b/soup/screen/mmcifs/denovo135_s20.cif @@ -0,0 +1,549 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 12 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 13 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 14 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 19 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 24 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 25 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 26 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 27 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 32 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 37 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 38 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 39 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 40 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 41 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 42 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 43 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 44 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 45 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 46 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 47 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 48 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 49 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 50 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 51 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 52 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 53 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 54 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 55 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 56 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 57 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 58 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 59 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 60 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 61 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 62 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 63 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 64 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 65 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 66 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 67 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 68 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 69 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 70 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 71 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 72 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 73 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 74 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 75 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 76 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 77 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 78 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 79 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 80 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 81 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 82 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 83 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 84 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 85 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 86 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 87 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 88 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 89 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 90 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 91 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 92 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 93 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 94 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 95 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 96 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 97 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 98 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 99 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 100 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 101 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 102 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 103 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 104 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 105 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 106 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 107 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 108 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 109 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 110 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 111 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 112 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 113 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 114 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 115 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 116 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 117 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 118 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 119 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 120 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 121 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 122 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 123 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 124 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 125 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 126 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 127 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 128 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 129 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 130 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 131 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 132 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 133 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 134 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 135 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 136 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 137 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 138 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 139 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 140 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 141 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 142 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 143 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 144 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 145 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 146 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 147 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 148 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 149 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 150 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 151 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 152 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 153 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 154 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 155 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 156 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 157 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 158 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 159 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 160 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 161 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 162 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 163 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 164 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 165 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 166 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 167 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 168 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 169 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 170 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 171 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 172 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 173 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 174 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 175 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 176 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 177 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 178 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 179 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 180 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 181 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 182 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 183 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 184 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 185 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 186 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 187 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 188 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 189 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 190 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 191 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 192 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 193 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 194 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 195 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 196 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 197 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 198 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 199 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 200 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 201 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 202 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 203 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 204 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 205 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 206 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 207 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 208 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 209 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 210 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 211 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 212 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 213 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 214 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 215 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 216 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 217 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 218 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 219 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 220 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 221 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 222 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 223 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 224 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 225 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 226 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 227 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 228 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 229 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 230 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 231 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 232 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 233 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 234 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 235 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 236 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 237 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 238 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 239 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 240 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 241 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 242 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 243 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 244 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 245 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 246 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 247 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 248 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 249 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 250 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 251 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 252 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 253 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 254 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 255 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 256 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 257 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 258 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 259 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 260 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 261 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 262 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 263 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 264 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 265 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 266 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 267 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 268 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 269 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 270 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 271 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 272 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 273 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 274 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 275 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 276 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 277 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 278 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 279 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 280 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 281 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 282 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 283 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 284 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 285 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 286 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 287 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 288 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 289 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 290 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 291 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 292 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 293 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 294 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 295 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 296 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 297 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 298 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 299 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 300 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 301 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 302 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 303 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 304 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 305 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 306 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 307 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 308 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 309 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 310 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 311 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 312 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 313 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 314 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 315 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 316 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 317 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 318 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 319 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 320 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 321 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 322 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 323 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 324 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 325 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 326 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 327 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 328 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 329 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 330 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 331 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 332 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 333 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 334 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 335 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 336 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 337 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 338 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 339 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 340 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 341 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 342 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 343 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 344 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 345 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 346 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 347 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 348 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 349 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 350 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 351 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 352 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 353 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 354 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 355 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 356 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 357 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 358 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 359 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 360 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 361 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 362 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 363 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 364 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 365 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 366 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 367 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 368 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 369 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 370 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 371 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 372 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 373 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 374 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 375 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 376 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 377 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 378 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 379 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 380 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 381 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 382 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 383 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 384 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 385 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 386 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 387 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 388 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 389 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 390 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 391 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 392 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 393 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 394 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 395 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 396 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 397 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 398 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 399 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 400 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 401 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 402 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 403 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 404 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 405 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 406 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 407 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 408 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 409 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 410 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 411 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 412 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 413 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 414 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 415 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 416 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 417 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 418 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 419 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 420 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 421 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 422 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 423 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 424 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 425 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 426 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 427 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 428 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 429 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 430 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 431 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 432 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 433 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 434 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 435 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 436 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 437 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 438 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 439 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 440 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 441 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 442 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 443 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 444 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 445 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 446 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 447 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 448 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 449 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 450 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 451 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 452 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 453 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 454 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 455 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 456 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 457 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 458 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 459 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 460 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 461 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 462 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 463 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 464 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 465 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 466 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 467 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 468 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 469 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 470 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 471 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 472 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 473 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 474 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 475 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 476 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 477 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 478 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 479 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 480 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 481 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 482 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 483 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 484 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 485 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 486 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 487 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 488 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 489 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 490 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 491 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 492 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 493 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 494 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 495 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 496 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 497 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 498 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 499 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 500 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 501 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 502 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 503 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 504 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 505 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 506 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 507 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 508 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 509 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 510 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 511 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 512 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 513 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 514 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 515 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 516 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 517 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 518 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 519 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 520 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 521 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 522 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 523 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 524 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 525 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 526 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 527 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 528 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 529 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 530 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 531 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 532 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 533 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo136_s20.cif b/soup/screen/mmcifs/denovo136_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..104c90aba63e4438e0096ad7cddf49ed04a5f0c4 --- /dev/null +++ b/soup/screen/mmcifs/denovo136_s20.cif @@ -0,0 +1,596 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 15 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 20 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 25 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 26 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 27 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 28 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 33 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 34 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 35 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 40 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 41 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 46 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 47 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 48 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 49 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 50 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 51 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 52 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 53 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 54 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 55 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 56 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 57 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 58 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 59 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 60 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 61 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 62 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 63 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 64 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 65 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 66 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 67 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 68 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 69 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 70 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 71 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 72 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 73 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 74 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 75 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 76 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 77 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 78 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 79 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 80 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 81 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 82 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 87 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 88 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 89 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 94 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 95 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 96 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 97 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 98 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 103 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 104 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 105 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 106 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 107 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 116 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 117 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 122 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 123 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 124 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 125 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 126 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 127 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 128 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 133 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 134 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 135 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 140 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 141 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 142 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 143 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 148 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 149 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 150 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 155 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 156 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 157 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 158 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 159 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 160 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 161 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 162 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 163 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 164 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 165 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 166 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 167 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 168 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 169 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 174 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 175 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 176 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 177 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 178 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 179 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 180 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 181 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 182 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 183 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 184 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 185 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 186 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 187 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 188 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 189 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 190 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 191 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 192 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 193 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 194 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 195 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 196 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 197 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 198 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 199 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 200 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 201 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 202 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 203 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 204 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 205 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 206 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 207 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 208 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 209 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 210 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 211 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 212 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 213 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 214 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 215 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 216 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 217 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 218 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 219 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 220 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 221 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 222 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 223 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 224 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 225 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 226 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 227 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 228 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 229 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 230 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 231 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 232 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 233 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 234 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 235 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 236 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 237 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 238 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 239 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 240 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 241 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 242 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 243 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 244 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 245 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 246 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 247 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 248 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 249 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 250 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 251 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 252 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 253 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 254 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 255 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 256 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 257 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 258 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 259 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 260 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 261 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 262 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 263 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 264 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 265 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 266 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 267 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 268 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 269 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 270 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 271 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 272 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 273 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 274 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 275 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 276 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 277 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 278 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 279 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 280 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 281 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 282 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 283 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 284 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 285 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 286 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 287 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 288 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 289 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 290 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 291 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 292 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 293 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 294 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 295 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 296 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 297 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 298 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 299 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 300 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 301 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 302 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 303 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 304 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 305 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 306 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 307 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 308 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 309 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 310 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 311 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 312 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 313 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 314 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 315 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 316 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 317 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 318 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 319 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 320 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 321 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 322 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 323 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 324 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 325 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 326 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 327 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 328 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 329 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 330 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 331 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 332 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 333 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 334 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 335 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 336 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 337 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 338 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 339 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 340 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 341 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 342 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 343 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 344 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 345 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 346 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 347 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 348 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 349 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 350 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 351 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 352 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 353 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 354 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 355 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 356 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 357 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 358 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 359 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 360 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 361 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 362 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 363 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 364 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 365 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 366 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 367 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 368 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 369 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 370 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 371 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 372 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 373 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 374 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 375 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 376 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 377 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 378 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 379 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 380 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 381 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 382 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 383 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 384 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 385 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 386 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 387 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 388 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 389 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 390 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 391 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 392 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 393 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 394 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 395 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 396 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 397 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 398 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 399 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 400 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 401 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 402 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 403 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 404 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 405 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 406 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 407 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 408 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 409 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 410 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 411 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 412 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 413 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 414 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 415 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 416 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 417 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 418 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 419 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 420 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 421 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 422 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 423 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 424 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 425 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 426 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 427 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 428 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 429 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 430 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 431 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 432 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 433 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 434 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 435 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 436 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 437 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 438 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 439 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 440 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 441 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 442 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 443 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 444 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 445 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 446 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 447 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 448 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 449 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 450 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 451 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 452 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 453 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 454 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 455 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 456 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 457 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 458 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 459 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 460 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 461 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 462 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 463 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 464 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 465 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 466 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 467 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 468 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 469 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 470 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 471 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 472 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 473 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 474 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 475 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 476 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 477 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 478 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 479 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 480 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 481 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 482 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 483 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 484 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 485 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 486 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 487 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 492 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 493 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 494 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 495 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 496 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 497 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 498 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 499 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 500 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 501 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 502 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 503 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 504 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 505 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 506 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 507 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 508 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 509 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 510 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 511 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 512 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 513 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 514 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 515 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 516 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 517 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 518 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 519 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 520 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 521 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 522 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 523 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 524 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 525 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 526 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 527 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 528 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 529 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 530 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 531 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 532 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 533 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 534 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 535 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 536 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 541 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 542 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 543 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 544 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 545 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 546 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 547 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 548 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 549 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 550 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 551 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 552 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 553 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 554 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 555 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 556 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 557 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 558 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 559 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 560 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 561 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 562 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 563 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 564 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 565 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 566 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 567 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 568 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 569 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 570 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 571 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 572 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 573 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 574 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 575 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 576 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 577 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 578 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 579 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 580 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo137_s20.cif b/soup/screen/mmcifs/denovo137_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..3b461dad56933a3676f315ebc2f65582f4246a4d --- /dev/null +++ b/soup/screen/mmcifs/denovo137_s20.cif @@ -0,0 +1,596 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 20 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 21 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 22 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 23 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 24 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 25 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 26 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 31 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 32 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 33 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 34 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 39 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 40 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 41 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 42 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 43 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 48 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 49 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 50 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 51 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 52 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 53 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 54 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 55 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 56 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 57 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 58 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 59 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 64 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 65 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 66 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 71 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 72 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 73 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 74 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 75 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 80 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 81 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 82 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 83 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 84 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 85 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 86 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 87 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 88 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 89 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 90 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 91 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 92 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 93 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 94 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 95 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 96 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 97 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 98 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 99 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 100 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 101 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 102 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 103 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 104 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 105 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 106 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 107 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 108 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 109 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 110 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 111 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 116 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 117 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 118 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 119 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 120 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 121 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 122 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 123 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 124 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 125 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 126 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 127 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 128 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 129 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 130 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 131 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 132 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 133 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 134 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 135 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 136 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 137 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 138 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 139 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 140 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 141 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 142 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 143 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 148 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 149 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 150 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 151 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 152 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 153 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 154 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 155 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 156 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 157 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 158 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 159 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 160 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 161 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 162 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 163 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 164 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 165 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 166 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 167 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 172 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 173 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 174 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 175 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 176 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 177 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 178 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 179 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 180 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 185 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 186 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 187 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 196 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 197 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 198 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 199 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 200 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 205 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 206 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 207 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 208 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 209 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 210 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 211 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 212 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 213 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 214 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 219 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 220 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 221 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 222 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 223 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 224 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 225 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 226 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 227 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 228 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 229 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 230 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 231 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 236 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 237 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 238 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 239 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 240 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 241 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 242 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 243 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 244 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 245 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 246 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 247 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 252 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 253 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 254 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 255 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 256 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 257 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 258 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 259 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 260 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 261 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 262 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 263 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 264 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 265 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 266 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 267 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 268 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 269 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 270 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 271 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 272 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 273 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 274 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 275 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 276 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 277 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 278 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 279 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 280 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 281 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 282 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 283 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 284 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 285 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 286 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 287 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 288 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 289 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 290 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 291 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 292 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 293 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 294 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 295 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 296 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 297 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 298 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 299 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 300 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 301 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 302 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 303 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 304 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 305 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 306 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 307 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 308 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 309 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 310 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 311 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 312 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 313 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 314 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 315 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 316 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 317 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 318 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 319 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 320 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 321 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 322 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 323 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 324 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 325 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 326 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 327 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 328 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 329 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 330 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 331 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 332 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 333 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 334 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 335 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 336 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 337 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 338 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 339 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 340 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 341 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 342 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 343 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 344 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 345 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 346 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 347 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 348 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 349 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 350 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 351 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 352 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 353 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 354 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 355 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 356 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 357 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 358 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 359 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 360 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 361 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 362 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 363 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 364 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 365 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 366 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 367 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 368 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 369 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 370 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 371 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 372 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 373 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 374 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 375 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 376 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 377 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 378 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 379 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 380 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 381 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 382 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 383 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 384 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 385 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 386 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 387 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 388 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 389 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 390 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 391 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 392 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 393 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 394 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 395 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 396 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 397 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 398 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 399 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 400 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 401 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 402 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 403 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 404 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 405 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 406 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 407 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 408 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 409 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 410 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 411 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 412 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 413 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 414 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 415 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 416 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 417 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 418 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 419 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 420 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 421 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 422 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 423 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 424 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 425 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 426 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 427 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 428 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 429 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 430 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 431 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 432 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 433 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 434 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 435 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 436 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 437 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 438 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 439 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 440 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 441 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 442 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 443 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 444 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 445 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 446 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 447 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 448 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 449 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 450 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 451 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 452 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 453 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 454 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 455 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 456 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 457 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 458 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 459 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 460 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 461 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 462 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 463 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 464 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 465 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 466 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 467 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 468 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 469 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 470 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 471 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 472 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 473 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 474 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 475 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 476 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 477 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 478 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 479 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 480 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 481 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 482 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 483 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 484 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 485 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 486 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 487 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 488 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 489 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 490 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 491 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 492 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 493 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 494 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 495 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 496 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 497 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 498 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 499 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 500 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 501 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 502 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 503 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 504 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 505 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 506 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 507 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 508 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 509 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 510 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 511 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 512 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 513 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 514 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 515 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 516 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 517 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 518 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 519 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 520 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 521 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 522 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 523 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 524 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 525 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 526 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 527 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 528 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 529 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 530 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 531 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 532 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 533 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 534 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 535 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 536 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 537 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 538 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 539 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 540 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 545 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 546 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 547 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 548 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 549 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 550 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 551 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 552 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 553 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 554 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 555 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 556 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 557 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 558 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 559 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 560 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 561 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 562 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 563 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 564 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 565 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 566 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 567 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 568 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 569 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 570 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 571 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 572 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 573 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 574 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 575 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 576 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 577 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 578 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 579 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 580 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo138_s20.cif b/soup/screen/mmcifs/denovo138_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..feb550093b6297bc86075b570f5c8dd1bf432539 --- /dev/null +++ b/soup/screen/mmcifs/denovo138_s20.cif @@ -0,0 +1,597 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 18 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 23 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 24 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 25 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 26 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 27 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 32 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 33 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 34 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 39 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 40 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 41 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 42 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 47 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 48 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 49 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 50 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 55 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 56 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 57 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 62 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 63 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 64 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 65 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 66 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 71 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 72 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 77 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 78 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 87 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 88 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 89 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 90 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 91 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 92 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 93 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 94 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 95 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 96 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 97 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 98 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 99 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 100 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 101 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 102 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 103 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 104 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 105 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 106 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 107 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 108 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 109 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 110 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 111 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 112 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 113 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 114 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 115 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 116 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 117 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 118 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 119 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 120 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 121 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 122 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 123 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 124 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 125 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 126 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 127 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 128 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 129 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 130 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 131 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 132 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 133 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 134 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 135 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 136 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 137 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 138 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 139 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 140 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 141 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 142 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 143 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 144 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 145 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 146 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 147 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 148 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 149 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 150 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 151 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 152 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 153 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 154 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 155 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 156 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 157 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 158 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 159 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 160 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 161 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 162 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 163 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 164 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 165 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 166 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 167 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 168 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 169 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 170 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 171 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 172 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 173 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 174 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 175 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 176 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 177 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 178 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 179 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 180 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 181 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 182 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 183 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 184 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 185 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 186 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 187 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 188 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 189 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 190 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 191 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 192 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 193 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 194 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 195 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 196 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 197 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 198 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 199 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 200 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 201 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 202 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 203 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 204 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 205 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 206 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 207 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 208 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 209 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 210 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 211 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 212 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 213 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 214 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 215 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 216 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 217 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 218 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 219 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 220 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 221 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 222 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 223 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 224 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 225 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 226 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 227 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 228 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 229 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 230 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 231 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 232 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 233 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 234 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 235 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 236 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 237 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 238 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 239 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 240 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 241 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 242 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 243 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 244 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 245 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 246 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 247 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 248 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 249 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 250 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 251 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 252 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 253 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 254 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 255 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 256 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 257 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 258 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 259 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 260 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 261 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 262 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 263 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 264 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 265 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 266 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 267 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 268 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 269 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 270 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 271 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 272 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 273 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 274 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 275 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 276 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 277 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 278 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 279 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 280 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 281 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 282 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 283 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 284 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 285 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 290 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 291 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 292 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 293 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 294 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 295 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 296 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 297 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 298 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 299 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 300 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 301 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 302 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 303 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 304 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 305 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 306 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 307 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 308 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 309 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 310 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 311 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 312 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 313 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 314 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 315 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 316 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 317 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 318 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 319 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 320 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 321 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 322 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 323 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 324 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 325 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 326 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 327 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 328 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 329 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 330 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 331 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 332 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 333 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 334 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 335 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 336 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 337 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 338 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 339 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 340 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 341 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 342 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 343 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 344 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 345 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 346 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 347 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 348 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 349 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 350 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 351 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 352 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 353 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 354 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 355 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 356 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 357 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 358 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 359 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 360 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 361 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 362 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 363 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 364 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 365 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 366 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 367 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 368 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 369 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 370 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 371 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 372 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 373 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 374 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 375 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 376 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 377 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 378 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 379 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 380 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 381 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 382 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 383 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 384 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 385 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 386 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 387 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 388 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 389 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 390 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 391 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 392 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 393 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 394 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 395 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 396 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 397 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 398 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 399 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 400 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 401 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 402 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 403 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 404 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 405 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 406 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 407 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 408 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 409 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 410 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 411 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 412 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 413 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 414 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 415 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 416 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 417 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 418 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 419 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 420 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 421 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 422 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 423 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 424 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 425 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 426 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 427 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 428 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 429 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 430 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 431 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 432 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 433 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 434 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 435 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 436 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 437 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 438 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 439 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 440 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 441 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 442 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 443 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 444 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 445 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 446 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 447 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 448 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 449 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 450 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 451 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 452 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 453 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 454 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 455 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 456 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 457 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 458 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 459 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 460 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 461 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 462 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 463 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 464 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 465 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 466 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 467 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 468 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 469 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 470 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 471 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 472 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 473 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 474 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 475 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 476 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 477 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 478 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 479 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 480 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 481 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 482 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 483 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 484 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 485 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 486 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 487 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 488 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 489 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 490 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 491 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 492 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 493 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 494 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 495 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 496 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 497 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 498 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 499 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 500 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 501 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 502 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 503 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 504 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 505 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 506 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 507 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 508 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 509 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 510 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 511 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 512 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 513 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 514 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 515 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 516 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 517 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 518 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 519 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 520 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 521 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 522 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 523 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 524 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 525 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 530 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 531 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 532 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 533 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 534 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 535 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 536 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 541 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 542 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 543 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 544 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 545 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 546 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 547 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 548 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 549 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 550 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 551 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 552 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 553 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 554 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 555 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 556 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 557 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 558 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 559 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 560 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 561 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 562 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 563 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 564 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 565 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 566 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 567 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 568 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 569 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 570 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 571 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 572 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 573 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 574 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 575 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 576 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 577 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 578 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 579 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 580 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 581 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo139_s20.cif b/soup/screen/mmcifs/denovo139_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..129e0d0440c98f276fc16f2b265f75979b97c9af --- /dev/null +++ b/soup/screen/mmcifs/denovo139_s20.cif @@ -0,0 +1,576 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 10 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 11 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 12 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 13 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 14 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 19 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 20 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 21 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 30 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 31 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 32 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 33 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 34 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 35 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 36 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 37 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 38 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 39 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 40 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 41 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 42 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 43 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 44 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 45 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 46 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 47 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 48 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 49 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 50 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 51 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 52 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 53 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 54 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 55 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 56 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 57 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 58 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 59 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 60 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 61 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 62 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 63 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 64 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 65 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 66 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 67 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 68 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 69 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 70 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 71 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 72 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 73 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 74 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 75 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 76 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 77 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 78 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 79 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 80 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 81 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 82 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 83 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 84 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 85 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 86 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 87 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 88 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 89 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 90 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 91 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 92 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 93 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 94 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 95 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 96 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 97 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 98 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 99 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 100 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 101 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 102 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 103 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 104 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 105 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 106 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 107 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 108 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 109 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 110 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 111 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 112 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 113 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 114 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 115 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 116 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 117 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 122 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 123 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 124 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 125 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 126 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 127 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 128 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 129 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 130 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 131 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 132 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 133 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 134 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 135 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 136 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 137 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 138 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 139 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 140 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 141 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 142 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 143 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 144 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 145 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 146 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 147 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 148 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 149 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 150 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 151 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 152 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 153 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 154 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 155 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 156 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 157 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 158 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 159 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 160 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 161 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 162 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 163 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 164 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 165 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 166 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 167 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 168 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 169 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 170 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 171 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 172 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 173 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 174 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 175 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 176 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 177 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 178 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 179 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 180 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 181 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 182 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 187 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 188 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 189 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 190 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 191 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 192 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 193 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 194 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 195 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 196 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 197 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 198 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 199 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 200 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 201 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 202 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 203 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 204 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 205 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 206 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 207 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 208 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 209 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 210 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 211 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 212 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 213 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 214 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 215 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 216 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 217 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 218 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 219 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 220 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 221 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 222 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 223 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 224 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 225 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 226 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 227 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 228 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 229 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 230 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 231 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 232 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 233 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 234 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 235 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 236 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 237 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 238 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 239 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 240 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 241 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 242 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 243 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 244 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 245 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 246 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 247 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 248 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 249 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 250 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 251 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 252 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 253 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 254 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 255 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 256 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 257 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 258 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 259 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 260 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 261 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 262 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 263 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 264 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 265 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 266 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 267 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 268 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 269 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 270 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 271 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 272 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 273 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 274 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 275 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 276 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 277 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 278 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 279 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 280 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 281 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 282 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 283 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 284 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 285 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 286 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 287 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 288 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 289 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 290 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 291 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 292 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 293 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 294 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 295 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 296 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 297 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 298 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 299 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 300 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 301 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 302 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 303 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 304 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 305 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 306 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 307 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 308 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 309 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 310 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 311 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 312 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 313 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 314 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 315 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 316 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 317 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 318 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 319 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 320 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 321 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 322 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 323 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 324 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 325 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 326 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 327 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 328 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 329 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 330 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 331 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 332 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 333 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 334 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 335 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 336 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 337 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 338 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 339 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 340 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 341 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 342 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 343 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 344 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 345 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 346 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 347 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 348 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 349 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 350 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 351 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 352 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 353 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 354 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 355 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 356 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 357 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 358 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 359 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 360 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 361 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 362 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 363 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 364 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 365 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 366 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 367 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 368 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 369 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 370 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 371 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 372 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 373 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 374 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 375 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 376 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 377 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 378 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 379 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 380 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 381 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 382 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 383 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 384 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 385 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 386 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 387 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 388 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 389 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 390 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 391 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 392 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 393 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 394 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 395 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 396 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 397 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 398 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 399 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 400 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 401 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 402 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 403 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 404 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 405 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 406 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 407 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 408 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 409 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 410 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 411 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 412 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 413 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 414 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 415 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 416 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 417 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 418 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 419 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 420 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 421 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 422 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 423 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 424 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 425 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 426 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 427 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 428 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 429 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 430 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 431 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 432 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 433 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 434 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 435 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 436 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 437 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 438 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 439 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 440 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 441 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 442 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 443 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 444 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 445 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 446 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 447 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 448 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 449 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 450 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 451 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 452 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 453 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 454 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 455 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 456 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 457 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 458 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 459 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 460 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 461 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 462 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 463 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 464 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 465 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 466 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 467 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 468 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 469 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 470 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 471 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 472 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 473 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 474 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 475 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 476 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 477 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 478 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 479 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 480 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 481 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 482 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 483 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 484 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 485 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 486 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 487 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 488 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 489 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 490 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 491 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 492 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 493 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 494 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 495 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 496 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 497 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 498 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 499 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 500 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 501 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 502 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 503 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 504 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 505 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 506 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 507 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 508 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 509 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 510 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 511 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 512 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 513 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 514 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 515 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 516 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 517 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 518 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 519 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 520 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 521 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 522 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 523 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 524 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 525 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 526 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 527 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 528 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 529 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 530 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 531 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 532 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 533 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 534 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 535 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 536 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 537 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 538 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 539 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 540 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 541 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 542 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 543 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 544 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 545 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 546 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 547 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 548 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 549 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 550 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 551 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 552 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 553 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 554 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 555 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 556 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 557 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 558 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 559 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 560 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo13_s20.cif b/soup/screen/mmcifs/denovo13_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..03692278227a93684790d77b0047df2a68e2f612 --- /dev/null +++ b/soup/screen/mmcifs/denovo13_s20.cif @@ -0,0 +1,643 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 15 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 16 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 21 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 22 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 23 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 28 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 29 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 30 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 35 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 36 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 37 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 38 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 39 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 44 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 45 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 46 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 47 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 52 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 53 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 58 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 59 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 60 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 69 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 70 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 71 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 72 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 73 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 74 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 75 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 76 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 77 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 78 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 79 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 80 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 85 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 86 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 87 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 88 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 89 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 94 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 95 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 100 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 105 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 106 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 107 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 116 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 117 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 118 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 119 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 120 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 121 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 122 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 123 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 124 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 125 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 126 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 127 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 128 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 129 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 130 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 131 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 132 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 133 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 134 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 135 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 136 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 137 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 138 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 139 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 140 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 141 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 142 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 143 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 144 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 145 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 146 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 147 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 148 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 149 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 150 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 151 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 152 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 157 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 158 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 159 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 160 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 161 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 162 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 163 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 168 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 169 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 170 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 171 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 172 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 173 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 174 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 179 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 180 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 181 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 182 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 183 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 184 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 185 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 186 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 187 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 188 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 193 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 194 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 195 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 196 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 197 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 198 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 199 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 204 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 205 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 206 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 211 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 212 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 213 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 218 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 219 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 220 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 221 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 222 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 223 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 224 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 225 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 226 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 227 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 228 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 229 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 230 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 231 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 236 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 237 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 238 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 239 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 240 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 241 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 242 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 247 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 248 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 249 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 250 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 251 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 252 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 253 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 254 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 255 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 256 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 257 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 258 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 259 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 260 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 261 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 262 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 263 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 264 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 265 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 266 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 267 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 268 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 269 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 270 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 271 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 272 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 273 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 274 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 275 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 276 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 277 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 278 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 279 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 280 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 281 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 282 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 283 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 288 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 289 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 290 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 291 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 292 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 293 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 294 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 295 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 296 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 297 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 298 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 299 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 300 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 301 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 302 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 303 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 304 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 305 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 306 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 307 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 308 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 309 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 310 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 311 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 312 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 313 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 314 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 315 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 316 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 317 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 318 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 319 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 320 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 321 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 322 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 323 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 328 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 329 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 330 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 331 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 332 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 333 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 334 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 335 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 336 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 337 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 338 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 339 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 340 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 341 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 342 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 343 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 344 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 345 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 346 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 347 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 348 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 349 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 350 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 351 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 352 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 353 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 354 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 355 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 356 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 357 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 358 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 359 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 360 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 361 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 362 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 363 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 364 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 365 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 366 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 367 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 368 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 369 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 370 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 371 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 372 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 373 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 374 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 375 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 376 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 377 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 378 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 379 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 380 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 381 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 382 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 383 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 384 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 385 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 386 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 387 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 388 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 389 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 390 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 391 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 392 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 393 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 394 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 395 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 396 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 397 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 398 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 399 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 400 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 401 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 402 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 403 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 404 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 405 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 406 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 407 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 408 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 409 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 410 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 411 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 412 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 413 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 414 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 415 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 416 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 417 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 418 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 419 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 420 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 421 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 422 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 423 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 424 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 425 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 426 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 427 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 428 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 429 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 430 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 431 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 432 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 433 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 434 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 435 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 436 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 437 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 438 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 439 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 440 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 441 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 442 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 443 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 444 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 445 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 446 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 447 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 448 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 449 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 450 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 451 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 452 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 453 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 454 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 455 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 456 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 457 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 458 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 459 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 460 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 461 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 462 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 463 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 464 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 465 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 466 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 467 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 468 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 469 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 470 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 471 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 472 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 473 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 474 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 475 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 476 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 477 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 478 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 479 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 480 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 481 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 482 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 483 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 484 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 485 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 486 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 487 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 488 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 489 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 490 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 491 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 492 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 493 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 494 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 495 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 496 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 497 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 498 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 499 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 500 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 501 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 502 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 503 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 504 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 505 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 506 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 507 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 508 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 509 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 510 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 511 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 512 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 513 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 514 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 515 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 516 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 517 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 518 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 519 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 520 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 521 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 522 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 523 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 524 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 525 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 526 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 527 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 528 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 529 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 530 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 531 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 532 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 533 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 534 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 535 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 536 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 537 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 538 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 539 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 540 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 541 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 542 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 543 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 544 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 545 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 546 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 547 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 548 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 549 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 550 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 551 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 552 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 553 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 554 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 555 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 556 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 557 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 558 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 559 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 560 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 561 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 562 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 563 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 564 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 565 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 566 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 567 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 568 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 569 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 570 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 571 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 572 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 573 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 574 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 575 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 576 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 577 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 578 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 579 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 580 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 581 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 582 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 583 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 584 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 585 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 586 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 587 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 588 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 589 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 590 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 591 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 592 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 593 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 594 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 595 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 596 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 597 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 598 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 599 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 600 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 601 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 602 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 603 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 604 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 605 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 606 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 607 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 608 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 609 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 610 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 611 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 612 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 613 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 614 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 615 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 616 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 617 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 618 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 619 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 620 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 621 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 622 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 623 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 624 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 625 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 626 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 627 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo140_s20.cif b/soup/screen/mmcifs/denovo140_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6550eb568fd20445338ca58b42279ec5360878ff --- /dev/null +++ b/soup/screen/mmcifs/denovo140_s20.cif @@ -0,0 +1,590 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 10 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 11 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 12 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 17 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 18 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 19 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 24 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 25 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 26 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 27 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 28 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 29 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 30 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 35 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 36 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 37 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 38 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 39 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 40 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 41 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 42 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 43 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 44 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 45 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 46 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 55 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 56 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 57 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 58 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 59 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 60 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 65 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 66 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 67 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 68 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 73 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 74 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 75 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 80 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 81 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 82 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 83 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 84 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 85 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 86 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 87 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 88 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 89 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 90 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 95 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 96 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 97 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 98 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 99 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 100 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 101 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 106 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 107 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 112 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 113 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 118 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 119 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 120 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 121 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 126 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 127 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 128 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 133 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 134 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 135 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 140 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 141 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 142 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 143 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 144 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 145 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 146 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 147 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 148 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 149 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 150 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 151 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 152 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 153 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 154 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 155 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 156 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 157 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 158 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 159 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 160 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 161 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 162 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 163 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 164 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 165 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 170 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 171 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 172 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 173 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 174 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 175 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 176 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 177 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 178 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 179 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 180 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 181 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 182 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 187 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 188 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 189 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 190 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 191 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 192 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 193 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 194 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 195 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 196 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 197 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 198 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 199 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 200 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 201 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 202 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 203 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 204 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 205 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 206 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 207 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 208 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 209 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 210 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 211 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 212 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 213 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 214 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 215 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 216 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 217 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 218 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 219 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 220 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 221 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 222 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 223 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 224 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 225 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 226 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 227 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 228 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 229 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 230 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 231 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 232 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 233 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 234 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 235 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 236 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 237 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 238 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 239 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 240 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 241 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 242 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 243 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 244 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 245 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 246 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 247 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 248 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 249 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 250 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 251 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 252 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 253 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 254 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 255 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 256 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 257 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 258 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 259 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 260 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 261 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 262 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 263 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 264 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 265 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 266 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 267 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 268 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 269 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 270 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 271 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 272 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 273 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 274 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 275 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 276 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 277 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 278 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 279 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 284 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 285 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 286 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 287 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 288 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 289 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 290 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 291 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 292 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 293 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 294 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 295 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 296 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 297 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 298 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 299 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 300 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 301 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 302 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 303 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 304 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 305 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 306 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 307 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 308 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 309 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 310 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 311 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 312 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 313 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 314 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 315 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 316 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 317 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 318 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 319 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 320 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 321 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 322 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 323 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 324 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 325 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 326 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 327 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 328 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 329 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 330 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 331 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 332 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 333 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 334 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 335 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 336 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 337 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 338 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 339 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 340 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 341 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 342 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 343 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 344 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 345 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 346 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 347 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 348 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 349 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 350 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 351 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 352 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 353 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 354 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 355 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 356 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 357 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 358 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 359 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 360 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 361 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 362 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 363 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 364 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 365 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 366 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 367 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 368 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 369 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 370 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 371 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 372 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 373 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 374 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 375 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 376 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 377 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 378 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 379 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 380 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 381 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 382 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 383 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 384 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 385 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 386 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 387 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 388 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 389 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 390 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 391 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 392 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 393 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 394 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 395 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 396 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 397 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 398 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 399 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 400 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 401 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 402 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 403 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 404 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 405 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 406 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 407 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 408 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 409 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 410 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 411 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 412 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 413 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 414 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 415 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 416 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 417 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 418 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 419 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 420 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 421 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 422 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 423 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 424 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 425 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 426 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 427 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 428 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 429 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 430 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 431 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 432 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 433 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 434 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 435 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 436 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 437 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 438 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 439 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 440 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 441 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 442 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 443 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 444 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 445 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 446 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 447 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 448 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 449 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 450 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 451 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 452 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 453 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 454 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 455 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 456 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 457 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 458 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 459 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 460 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 461 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 462 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 463 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 464 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 465 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 466 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 467 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 468 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 469 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 470 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 471 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 472 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 473 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 474 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 475 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 476 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 477 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 478 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 479 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 480 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 481 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 482 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 483 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 484 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 485 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 486 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 487 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 488 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 489 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 490 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 491 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 492 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 493 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 494 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 495 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 496 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 497 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 498 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 499 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 500 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 501 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 502 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 503 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 504 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 505 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 506 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 507 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 508 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 509 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 510 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 511 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 512 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 517 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 518 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 519 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 520 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 521 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 522 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 523 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 524 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 525 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 526 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 527 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 528 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 533 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 534 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 535 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 536 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 537 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 538 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 539 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 540 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 541 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 542 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 543 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 544 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 545 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 550 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 551 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 552 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 553 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 554 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 555 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 556 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 557 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 558 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 559 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 560 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 561 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 562 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 563 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 564 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 565 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 566 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 567 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 568 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 569 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 570 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 571 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 572 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 573 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 574 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo141_s20.cif b/soup/screen/mmcifs/denovo141_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..94e5f5a150f6fc0a2f1e8d228dcb2ad001d6f36c --- /dev/null +++ b/soup/screen/mmcifs/denovo141_s20.cif @@ -0,0 +1,607 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 22 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 23 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 24 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 29 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 30 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 35 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 36 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 37 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 38 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 39 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 44 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 49 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 50 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 51 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 56 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 57 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 58 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 59 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 64 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 65 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 66 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 67 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 72 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 77 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 78 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 79 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 80 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 81 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 86 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 87 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 88 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 93 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 94 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 95 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 100 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 101 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 110 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 111 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 112 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 113 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 114 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 115 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 116 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 117 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 118 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 119 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 124 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 125 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 126 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 131 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 132 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 133 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 134 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 135 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 136 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 137 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 138 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 139 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 140 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 141 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 142 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 147 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 148 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 149 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 150 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 151 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 156 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 157 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 158 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 159 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 160 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 161 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 162 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 167 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 168 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 169 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 174 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 175 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 176 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 181 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 182 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 183 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 184 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 185 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 190 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 191 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 192 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 193 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 194 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 195 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 196 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 197 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 198 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 199 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 204 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 205 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 206 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 207 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 208 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 209 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 210 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 211 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 212 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 213 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 214 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 215 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 216 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 217 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 218 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 219 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 220 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 221 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 222 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 223 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 224 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 225 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 226 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 227 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 228 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 229 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 230 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 231 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 232 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 233 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 234 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 235 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 236 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 237 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 238 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 239 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 240 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 241 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 242 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 243 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 244 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 245 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 246 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 247 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 248 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 249 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 250 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 251 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 252 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 253 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 254 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 255 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 256 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 257 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 258 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 259 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 260 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 261 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 262 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 263 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 264 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 265 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 266 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 267 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 268 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 269 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 270 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 271 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 272 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 273 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 274 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 275 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 276 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 277 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 278 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 279 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 280 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 281 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 286 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 287 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 288 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 289 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 290 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 291 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 292 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 293 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 294 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 295 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 296 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 297 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 298 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 299 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 300 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 301 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 302 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 303 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 304 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 305 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 306 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 307 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 308 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 309 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 310 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 311 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 312 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 313 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 314 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 315 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 316 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 317 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 318 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 319 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 320 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 321 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 322 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 323 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 324 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 325 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 326 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 327 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 328 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 329 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 330 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 335 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 336 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 337 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 338 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 339 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 340 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 341 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 342 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 343 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 344 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 345 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 350 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 351 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 352 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 353 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 354 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 355 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 356 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 357 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 358 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 359 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 360 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 361 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 362 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 363 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 364 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 365 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 366 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 367 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 368 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 369 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 370 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 371 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 372 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 373 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 374 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 375 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 376 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 377 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 378 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 379 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 380 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 381 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 382 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 383 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 384 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 385 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 386 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 387 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 388 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 389 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 390 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 391 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 392 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 393 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 394 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 395 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 396 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 397 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 398 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 399 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 400 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 401 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 402 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 403 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 404 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 405 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 406 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 407 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 408 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 409 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 410 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 411 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 412 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 413 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 414 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 415 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 416 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 417 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 418 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 419 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 420 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 421 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 422 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 423 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 424 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 425 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 426 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 427 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 428 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 429 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 430 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 431 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 432 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 433 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 434 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 435 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 436 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 437 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 438 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 439 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 440 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 441 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 442 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 443 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 444 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 445 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 446 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 447 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 448 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 449 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 450 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 451 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 452 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 453 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 454 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 455 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 456 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 457 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 458 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 459 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 460 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 461 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 462 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 463 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 464 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 465 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 466 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 467 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 468 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 469 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 470 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 471 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 472 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 473 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 478 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 479 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 480 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 481 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 482 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 483 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 484 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 485 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 486 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 487 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 488 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 489 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 490 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 491 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 492 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 493 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 494 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 495 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 496 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 497 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 498 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 499 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 500 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 501 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 506 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 507 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 508 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 509 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 510 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 511 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 512 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 513 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 514 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 515 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 516 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 517 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 518 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 519 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 520 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 521 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 522 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 523 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 524 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 525 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 526 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 527 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 528 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 529 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 530 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 531 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 532 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 533 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 534 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 535 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 536 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 537 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 538 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 539 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 540 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 541 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 542 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 543 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 544 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 545 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 546 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 547 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 548 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 549 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 550 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 551 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 552 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 553 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 554 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 555 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 556 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 557 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 558 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 559 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 560 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 561 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 562 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 563 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 564 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 565 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 566 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 571 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 572 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 573 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 574 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 575 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 576 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 577 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 578 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 579 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 580 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 581 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 582 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 583 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 584 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 585 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 586 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 587 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 588 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 589 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 590 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 591 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo142_s20.cif b/soup/screen/mmcifs/denovo142_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..02ea0d02852f309dcb488bfccd75b2f686035c5d --- /dev/null +++ b/soup/screen/mmcifs/denovo142_s20.cif @@ -0,0 +1,621 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 13 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 14 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 15 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 16 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 21 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 22 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 23 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 24 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 29 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 30 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 31 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 32 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 33 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 38 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 43 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 44 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 45 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 46 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 47 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 52 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 53 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 54 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 55 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 56 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 65 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 66 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 67 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 72 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 73 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 74 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 79 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 80 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 81 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 82 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 83 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 88 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 89 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 90 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 91 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 96 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 97 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 98 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 99 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 100 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 101 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 102 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 103 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 104 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 105 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 106 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 107 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 108 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 109 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 110 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 115 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 116 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 117 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 118 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 119 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 120 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 121 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 122 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 123 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 124 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 125 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 126 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 127 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 128 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 129 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 130 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 131 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 132 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 133 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 134 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 135 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 136 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 137 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 138 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 139 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 140 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 141 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 142 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 147 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 148 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 149 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 150 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 151 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 152 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 153 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 154 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 155 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 156 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 157 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 158 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 159 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 160 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 161 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 162 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 163 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 164 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 165 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 166 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 167 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 168 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 169 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 170 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 171 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 172 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 173 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 174 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 175 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 176 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 177 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 178 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 179 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 180 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 181 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 182 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 183 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 184 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 185 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 186 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 187 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 188 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 189 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 190 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 191 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 192 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 193 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 194 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 195 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 196 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 197 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 198 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 199 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 200 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 201 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 202 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 203 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 204 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 205 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 206 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 207 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 208 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 209 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 210 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 211 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 212 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 213 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 214 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 215 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 216 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 217 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 218 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 219 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 220 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 221 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 222 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 223 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 224 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 225 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 226 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 227 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 228 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 229 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 230 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 231 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 232 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 233 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 234 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 235 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 236 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 237 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 238 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 239 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 240 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 241 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 242 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 243 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 244 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 245 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 246 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 247 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 248 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 249 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 250 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 251 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 252 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 253 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 254 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 255 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 256 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 257 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 258 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 259 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 260 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 261 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 262 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 263 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 264 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 265 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 266 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 267 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 268 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 269 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 270 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 271 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 272 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 273 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 274 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 275 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 276 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 277 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 278 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 279 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 280 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 281 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 282 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 283 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 288 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 289 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 290 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 291 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 292 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 293 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 294 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 299 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 300 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 301 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 302 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 303 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 304 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 305 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 306 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 307 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 308 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 309 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 310 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 311 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 312 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 313 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 314 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 315 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 316 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 317 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 318 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 319 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 320 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 321 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 322 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 323 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 324 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 325 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 326 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 327 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 328 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 329 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 330 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 331 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 332 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 333 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 334 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 335 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 336 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 337 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 338 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 339 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 340 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 341 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 342 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 343 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 344 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 345 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 346 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 347 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 348 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 349 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 350 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 351 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 352 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 353 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 354 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 355 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 356 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 357 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 358 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 359 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 360 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 361 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 362 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 363 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 364 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 365 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 366 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 367 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 368 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 369 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 370 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 371 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 372 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 373 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 374 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 375 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 376 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 377 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 378 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 379 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 380 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 381 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 382 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 383 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 384 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 385 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 386 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 387 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 388 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 389 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 390 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 391 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 392 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 393 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 394 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 395 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 396 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 397 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 398 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 399 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 400 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 401 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 402 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 403 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 404 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 405 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 406 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 407 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 408 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 409 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 410 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 411 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 412 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 413 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 414 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 415 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 416 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 417 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 418 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 419 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 420 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 421 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 422 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 423 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 424 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 425 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 426 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 427 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 428 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 429 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 430 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 431 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 432 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 433 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 434 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 435 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 436 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 437 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 438 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 439 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 440 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 441 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 442 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 443 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 444 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 445 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 446 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 447 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 448 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 449 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 450 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 451 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 452 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 453 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 454 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 455 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 456 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 457 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 458 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 459 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 460 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 461 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 462 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 463 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 464 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 465 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 466 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 467 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 468 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 469 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 470 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 471 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 472 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 473 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 474 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 475 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 476 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 477 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 478 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 479 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 480 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 481 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 482 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 483 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 484 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 485 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 486 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 487 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 488 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 489 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 490 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 491 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 492 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 493 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 494 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 495 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 496 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 497 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 498 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 499 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 500 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 501 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 502 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 503 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 504 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 505 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 506 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 507 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 508 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 509 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 510 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 511 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 512 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 513 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 514 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 515 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 516 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 517 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 518 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 519 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 520 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 521 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 522 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 523 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 524 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 525 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 526 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 527 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 528 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 529 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 530 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 531 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 532 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 533 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 534 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 535 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 536 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 537 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 538 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 539 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 540 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 541 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 542 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 543 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 544 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 545 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 546 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 547 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 548 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 549 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 550 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 551 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 552 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 553 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 554 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 555 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 556 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 557 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 558 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 559 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 560 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 561 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 562 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 563 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 564 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 565 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 566 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 567 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 568 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 569 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 570 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 571 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 572 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 573 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 574 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 575 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 576 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 577 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 578 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 579 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 580 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 581 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 582 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 583 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 584 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 585 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 586 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 587 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 588 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 589 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 590 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 591 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 592 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 593 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 594 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 595 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 596 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 597 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 598 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 599 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 600 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 601 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 602 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 603 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 604 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 605 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo143_s20.cif b/soup/screen/mmcifs/denovo143_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..50dc9e81cc323d1b46197386126703fc33792e82 --- /dev/null +++ b/soup/screen/mmcifs/denovo143_s20.cif @@ -0,0 +1,595 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 14 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 15 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 16 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 21 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 22 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 27 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 32 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 33 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 34 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 39 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 40 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 41 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 42 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 43 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 44 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 45 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 50 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 51 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 52 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 57 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 62 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 63 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 64 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 73 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 74 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 75 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 76 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 77 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 78 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 79 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 80 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 81 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 82 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 87 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 88 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 89 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 90 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 91 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 96 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 97 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 98 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 103 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 104 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 105 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 106 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 107 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 116 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 117 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 122 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 123 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 124 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 125 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 126 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 127 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 128 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 129 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 130 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 131 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 132 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 133 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 134 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 135 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 136 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 137 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 138 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 139 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 140 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 141 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 142 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 143 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 144 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 145 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 146 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 147 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 148 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 149 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 150 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 151 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 152 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 153 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 154 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 155 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 156 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 157 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 158 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 159 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 160 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 161 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 162 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 163 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 164 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 165 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 166 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 167 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 168 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 169 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 170 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 171 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 172 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 173 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 174 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 175 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 176 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 177 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 178 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 179 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 180 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 181 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 182 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 183 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 184 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 185 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 186 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 187 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 188 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 189 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 190 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 191 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 192 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 193 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 194 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 195 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 196 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 197 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 198 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 199 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 200 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 201 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 202 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 203 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 204 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 205 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 206 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 207 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 208 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 209 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 210 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 211 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 212 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 213 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 214 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 215 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 216 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 217 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 218 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 219 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 220 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 221 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 222 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 223 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 224 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 225 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 226 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 227 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 228 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 229 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 230 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 231 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 232 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 233 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 234 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 235 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 236 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 237 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 238 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 239 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 240 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 241 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 242 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 243 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 244 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 245 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 246 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 247 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 248 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 249 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 250 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 251 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 252 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 253 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 254 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 255 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 256 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 257 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 258 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 259 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 260 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 261 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 262 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 263 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 264 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 265 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 266 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 267 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 268 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 269 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 270 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 271 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 272 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 273 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 274 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 275 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 276 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 277 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 278 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 279 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 280 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 281 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 282 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 283 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 284 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 285 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 286 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 287 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 288 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 289 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 290 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 291 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 292 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 293 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 294 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 295 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 296 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 297 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 298 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 299 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 300 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 301 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 302 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 303 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 304 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 305 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 306 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 307 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 308 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 309 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 310 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 311 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 312 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 313 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 314 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 315 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 316 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 317 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 318 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 319 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 320 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 321 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 322 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 323 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 324 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 325 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 326 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 327 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 328 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 329 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 330 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 331 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 332 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 333 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 334 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 335 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 336 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 337 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 338 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 339 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 340 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 341 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 342 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 343 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 344 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 345 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 346 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 347 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 348 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 349 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 350 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 351 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 352 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 353 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 354 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 355 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 360 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 361 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 362 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 363 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 364 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 365 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 366 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 367 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 368 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 369 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 370 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 371 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 372 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 373 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 374 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 375 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 376 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 377 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 378 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 379 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 380 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 381 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 382 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 383 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 384 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 385 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 386 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 387 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 388 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 389 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 390 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 391 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 392 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 393 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 394 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 395 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 396 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 397 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 398 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 399 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 400 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 401 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 402 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 403 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 404 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 405 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 406 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 407 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 408 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 409 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 410 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 411 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 412 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 413 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 414 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 415 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 416 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 417 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 418 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 419 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 420 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 421 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 422 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 423 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 424 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 425 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 426 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 427 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 428 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 429 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 430 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 431 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 432 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 433 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 434 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 435 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 440 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 441 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 442 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 447 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 448 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 449 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 450 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 451 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 452 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 453 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 454 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 455 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 456 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 457 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 458 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 459 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 460 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 461 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 462 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 463 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 464 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 465 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 466 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 467 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 468 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 469 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 470 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 471 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 472 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 473 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 474 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 475 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 476 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 477 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 478 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 479 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 480 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 481 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 482 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 483 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 484 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 485 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 486 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 487 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 492 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 493 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 494 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 495 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 496 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 497 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 498 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 499 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 500 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 501 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 502 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 503 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 504 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 505 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 506 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 507 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 508 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 509 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 510 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 511 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 512 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 513 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 514 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 515 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 516 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 517 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 518 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 519 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 520 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 521 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 522 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 523 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 524 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 525 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 526 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 527 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 528 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 529 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 530 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 531 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 532 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 533 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 534 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 535 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 536 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 537 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 538 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 539 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 540 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 545 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 546 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 547 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 548 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 549 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 550 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 551 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 552 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 553 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 554 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 555 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 556 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 557 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 558 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 559 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 560 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 561 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 562 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 563 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 564 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 565 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 566 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 567 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 568 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 569 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 570 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 571 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 572 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 573 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 574 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 578 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 579 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo144_s20.cif b/soup/screen/mmcifs/denovo144_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2988cb901fe93f8e33f2f269366b40109fec6233 --- /dev/null +++ b/soup/screen/mmcifs/denovo144_s20.cif @@ -0,0 +1,601 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 15 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 20 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 21 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 22 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 27 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 28 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 29 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 30 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 35 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 36 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 37 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 38 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 43 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 44 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 45 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 50 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 51 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 56 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 57 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 58 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 59 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 64 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 65 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 70 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 71 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 72 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 73 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 74 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 79 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 80 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 81 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 86 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 87 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 88 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 93 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 94 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 95 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 100 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 101 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 102 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 103 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 104 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 109 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 110 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 115 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 116 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 117 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 118 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 119 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 120 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 121 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 122 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 123 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 124 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 125 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 126 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 131 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 132 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 133 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 134 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 135 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 136 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 137 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 138 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 139 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 140 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 141 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 142 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 143 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 144 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 145 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 146 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 147 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 148 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 149 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 150 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 151 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 152 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 153 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 154 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 155 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 156 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 157 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 158 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 159 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 160 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 161 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 162 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 163 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 164 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 165 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 170 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 171 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 172 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 173 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 174 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 175 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 176 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 177 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 178 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 179 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 180 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 181 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 186 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 187 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 188 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 189 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 190 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 191 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 192 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 193 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 194 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 195 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 196 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 197 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 198 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 199 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 200 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 201 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 202 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 203 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 204 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 205 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 206 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 207 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 208 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 209 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 210 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 211 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 212 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 213 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 214 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 215 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 216 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 217 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 218 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 219 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 220 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 221 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 222 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 223 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 224 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 225 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 230 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 231 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 232 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 233 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 234 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 235 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 236 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 237 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 238 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 239 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 240 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 241 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 242 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 243 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 244 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 245 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 246 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 247 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 252 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 253 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 254 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 255 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 260 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 265 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 266 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 267 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 268 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 269 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 270 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 271 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 272 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 273 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 274 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 275 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 276 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 277 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 278 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 279 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 280 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 281 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 282 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 287 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 288 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 289 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 290 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 291 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 292 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 293 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 294 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 295 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 296 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 297 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 298 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 299 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 300 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 301 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 302 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 303 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 304 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 305 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 306 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 307 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 308 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 309 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 310 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 311 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 312 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 313 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 314 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 315 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 316 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 317 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 318 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 319 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 320 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 321 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 326 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 327 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 328 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 329 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 330 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 335 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 336 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 337 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 342 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 347 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 348 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 349 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 350 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 351 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 352 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 353 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 354 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 355 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 356 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 357 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 358 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 359 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 360 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 361 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 362 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 363 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 364 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 365 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 366 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 367 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 368 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 369 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 370 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 371 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 372 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 373 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 374 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 375 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 376 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 377 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 378 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 379 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 380 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 381 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 382 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 383 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 384 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 385 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 386 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 387 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 388 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 389 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 390 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 391 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 392 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 393 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 394 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 395 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 396 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 397 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 398 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 399 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 400 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 401 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 402 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 403 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 404 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 405 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 406 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 407 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 408 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 409 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 410 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 411 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 412 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 413 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 414 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 415 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 416 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 417 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 418 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 419 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 420 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 421 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 422 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 423 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 424 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 425 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 426 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 427 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 428 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 429 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 430 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 431 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 432 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 433 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 434 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 435 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 436 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 437 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 438 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 439 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 440 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 441 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 442 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 443 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 444 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 445 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 446 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 447 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 448 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 449 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 450 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 451 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 452 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 453 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 454 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 455 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 456 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 457 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 458 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 459 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 460 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 461 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 462 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 463 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 464 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 465 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 466 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 467 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 468 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 473 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 474 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 475 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 480 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 481 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 482 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 483 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 484 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 485 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 486 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 487 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 488 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 489 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 490 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 491 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 492 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 493 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 494 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 495 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 496 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 497 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 498 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 499 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 500 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 501 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 502 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 503 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 504 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 505 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 506 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 507 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 508 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 509 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 510 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 511 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 512 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 513 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 514 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 515 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 516 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 517 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 518 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 519 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 520 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 521 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 522 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 523 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 524 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 525 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 526 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 527 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 528 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 529 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 530 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 531 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 532 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 533 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 534 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 535 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 536 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 541 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 542 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 543 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 544 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 545 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 546 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 547 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 548 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 549 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 550 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 551 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 552 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 553 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 554 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 555 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 556 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 557 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 558 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 559 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 560 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 561 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 562 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 563 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 564 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 565 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 566 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 567 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 568 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 569 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 570 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 571 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 572 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 573 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 574 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 575 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 576 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 577 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 578 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 579 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 580 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 581 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 582 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 583 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 584 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 585 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo145_s20.cif b/soup/screen/mmcifs/denovo145_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..8530183a3e6dc89b5a40c6e74a0d60c2c84c776f --- /dev/null +++ b/soup/screen/mmcifs/denovo145_s20.cif @@ -0,0 +1,623 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 14 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 15 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 16 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 17 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 18 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 23 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 24 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 29 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 30 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 31 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 32 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 33 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 42 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 43 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 44 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 45 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 46 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 47 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 48 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 53 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 54 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 59 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 60 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 61 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 62 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 63 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 64 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 65 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 66 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 67 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 68 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 69 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 70 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 71 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 72 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 73 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 78 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 79 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 80 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 81 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 86 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 87 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 88 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 93 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 94 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 95 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 96 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 97 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 98 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 99 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 100 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 101 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 102 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 103 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 104 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 105 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 106 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 107 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 108 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 109 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 110 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 111 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 112 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 113 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 114 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 115 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 116 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 117 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 118 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 119 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 120 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 121 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 122 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 123 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 124 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 125 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 126 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 127 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 128 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 129 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 130 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 131 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 132 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 133 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 134 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 135 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 136 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 137 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 138 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 139 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 140 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 141 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 142 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 143 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 144 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 145 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 146 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 147 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 148 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 149 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 158 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 159 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 160 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 161 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 162 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 163 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 164 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 165 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 166 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 167 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 168 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 169 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 170 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 171 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 172 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 173 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 174 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 175 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 176 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 177 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 178 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 179 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 180 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 181 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 182 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 183 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 184 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 185 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 186 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 187 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 188 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 189 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 190 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 191 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 192 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 193 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 194 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 195 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 196 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 197 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 198 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 199 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 200 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 201 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 202 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 203 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 204 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 205 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 206 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 207 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 208 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 209 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 210 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 211 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 212 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 213 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 214 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 215 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 216 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 217 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 218 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 219 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 220 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 221 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 222 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 223 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 224 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 225 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 226 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 227 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 228 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 229 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 230 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 231 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 232 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 233 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 234 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 235 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 236 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 237 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 238 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 239 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 240 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 241 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 242 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 243 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 244 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 245 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 246 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 247 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 248 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 249 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 250 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 251 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 252 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 253 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 254 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 255 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 256 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 257 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 258 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 259 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 260 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 261 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 262 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 263 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 264 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 265 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 266 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 267 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 268 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 269 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 270 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 271 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 272 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 273 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 274 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 275 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 276 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 277 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 278 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 279 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 280 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 281 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 282 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 283 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 288 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 289 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 290 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 291 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 292 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 293 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 294 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 295 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 296 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 297 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 298 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 299 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 300 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 301 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 302 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 303 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 304 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 305 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 306 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 307 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 308 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 309 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 310 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 311 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 312 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 313 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 314 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 315 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 316 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 317 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 318 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 323 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 324 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 325 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 326 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 327 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 328 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 329 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 330 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 331 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 332 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 333 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 334 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 335 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 336 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 337 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 338 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 339 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 340 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 341 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 342 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 343 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 344 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 345 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 346 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 347 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 348 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 349 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 350 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 351 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 352 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 353 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 354 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 355 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 356 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 357 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 358 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 359 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 360 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 361 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 362 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 363 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 364 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 365 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 366 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 367 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 368 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 369 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 370 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 371 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 372 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 373 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 374 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 375 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 376 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 377 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 378 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 379 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 380 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 381 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 382 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 383 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 384 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 385 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 386 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 387 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 388 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 389 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 390 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 391 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 392 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 393 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 394 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 395 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 396 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 397 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 398 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 399 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 400 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 401 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 402 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 403 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 404 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 405 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 406 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 407 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 408 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 409 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 410 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 411 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 412 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 413 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 414 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 415 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 416 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 417 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 418 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 419 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 420 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 421 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 422 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 423 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 424 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 425 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 426 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 427 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 428 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 429 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 430 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 431 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 432 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 433 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 434 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 435 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 436 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 437 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 438 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 439 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 440 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 441 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 442 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 443 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 444 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 445 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 446 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 447 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 448 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 449 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 450 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 451 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 452 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 453 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 454 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 455 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 456 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 457 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 458 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 459 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 460 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 461 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 462 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 463 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 464 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 465 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 466 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 467 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 468 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 469 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 470 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 471 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 472 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 473 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 474 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 475 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 476 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 477 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 478 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 479 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 480 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 481 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 482 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 483 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 484 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 485 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 486 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 487 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 488 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 489 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 490 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 491 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 492 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 493 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 494 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 495 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 496 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 497 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 498 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 499 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 500 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 501 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 502 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 503 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 504 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 505 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 506 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 507 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 508 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 509 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 510 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 511 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 512 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 513 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 514 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 515 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 516 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 517 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 518 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 519 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 520 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 521 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 522 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 523 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 524 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 525 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 526 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 527 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 528 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 529 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 530 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 531 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 532 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 533 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 534 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 535 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 536 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 537 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 538 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 539 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 540 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 541 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 542 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 543 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 544 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 545 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 546 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 547 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 548 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 549 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 550 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 551 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 552 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 553 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 554 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 555 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 556 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 557 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 558 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 559 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 560 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 561 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 562 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 563 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 564 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 565 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 566 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 567 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 568 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 569 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 570 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 571 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 572 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 573 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 574 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 575 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 576 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 577 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 578 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 579 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 580 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 581 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 582 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 583 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 584 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 585 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 586 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 587 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 588 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 589 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 590 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 591 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 592 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 593 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 594 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 595 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 596 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 597 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 598 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 599 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 600 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 601 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 602 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 603 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 604 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 605 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 606 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 607 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo146_s20.cif b/soup/screen/mmcifs/denovo146_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6f824124d7fc8e404dd5189318826107398b98f0 --- /dev/null +++ b/soup/screen/mmcifs/denovo146_s20.cif @@ -0,0 +1,596 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 15 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 16 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 17 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 22 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 23 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 24 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 25 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 30 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 31 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 32 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 33 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 34 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 39 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 40 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 41 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 42 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 47 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 48 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 49 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 54 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 55 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 56 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 57 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 58 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 59 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 60 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 61 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 62 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 63 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 64 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 65 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 66 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 67 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 68 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 69 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 74 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 75 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 84 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 85 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 86 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 87 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 88 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 93 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 98 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 103 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 104 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 105 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 106 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 107 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 108 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 109 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 110 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 111 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 112 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 113 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 114 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 115 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 116 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 117 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 118 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 119 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 120 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 121 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 122 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 123 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 124 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 125 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 126 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 127 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 128 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 129 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 130 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 131 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 132 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 133 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 134 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 135 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 136 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 137 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 138 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 139 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 140 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 141 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 142 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 147 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 148 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 149 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 150 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 151 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 152 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 153 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 154 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 155 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 156 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 157 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 158 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 159 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 160 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 161 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 162 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 163 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 164 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 165 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 166 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 167 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 168 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 169 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 174 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 175 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 176 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 177 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 178 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 179 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 180 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 181 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 182 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 183 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 184 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 185 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 186 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 187 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 188 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 189 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 190 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 195 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 196 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 197 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 198 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 199 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 200 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 201 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 202 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 207 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 208 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 209 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 210 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 211 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 212 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 213 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 214 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 215 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 216 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 217 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 218 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 219 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 220 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 221 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 222 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 223 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 224 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 225 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 226 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 227 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 228 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 229 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 230 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 231 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 236 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 237 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 238 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 243 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 244 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 245 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 246 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 247 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 248 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 249 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 250 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 251 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 252 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 253 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 254 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 255 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 256 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 257 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 258 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 259 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 260 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 265 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 266 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 267 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 268 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 269 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 274 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 275 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 276 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 277 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 278 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 279 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 280 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 281 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 282 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 287 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 288 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 289 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 290 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 291 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 292 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 293 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 294 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 295 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 296 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 297 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 298 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 299 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 300 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 301 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 302 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 303 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 304 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 305 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 306 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 307 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 308 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 309 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 314 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 315 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 316 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 317 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 318 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 319 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 320 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 321 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 322 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 323 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 324 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 325 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 326 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 327 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 328 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 329 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 330 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 331 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 332 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 333 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 334 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 335 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 336 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 337 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 338 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 339 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 340 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 341 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 342 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 343 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 344 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 345 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 346 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 347 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 348 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 349 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 350 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 351 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 352 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 353 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 354 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 355 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 356 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 357 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 362 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 363 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 368 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 369 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 370 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 375 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 376 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 377 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 378 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 379 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 380 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 381 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 382 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 383 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 384 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 385 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 386 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 387 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 388 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 389 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 390 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 391 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 392 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 393 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 394 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 395 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 396 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 401 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 402 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 403 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 404 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 409 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 410 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 411 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 412 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 413 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 414 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 415 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 416 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 417 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 418 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 419 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 420 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 421 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 422 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 423 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 424 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 425 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 426 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 427 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 428 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 429 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 430 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 431 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 432 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 433 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 434 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 435 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 436 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 437 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 438 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 439 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 440 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 441 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 442 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 443 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 444 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 445 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 446 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 447 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 448 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 449 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 450 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 451 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 452 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 453 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 454 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 455 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 456 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 457 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 458 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 459 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 460 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 461 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 462 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 463 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 464 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 465 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 466 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 467 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 468 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 469 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 470 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 471 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 472 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 473 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 474 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 475 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 476 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 477 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 478 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 479 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 480 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 481 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 482 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 483 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 484 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 485 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 486 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 487 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 488 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 489 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 490 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 491 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 492 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 493 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 494 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 495 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 496 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 497 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 498 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 499 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 500 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 501 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 506 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 507 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 508 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 509 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 510 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 511 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 512 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 513 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 514 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 515 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 516 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 517 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 518 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 519 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 520 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 521 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 522 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 523 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 524 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 525 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 526 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 527 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 528 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 529 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 530 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 531 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 532 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 533 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 534 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 535 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 536 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 537 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 538 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 539 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 540 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 541 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 542 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 543 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 544 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 545 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 546 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 547 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 548 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 549 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 550 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 555 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 556 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 557 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 558 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 559 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 560 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 561 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 562 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 563 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 564 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 565 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 566 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 567 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 568 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 569 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 570 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 571 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 572 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 573 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 574 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 575 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 576 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 577 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 578 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 579 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 580 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo147_s20.cif b/soup/screen/mmcifs/denovo147_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..fa1259a93519eb710820eaf311cca2f96ac76aa6 --- /dev/null +++ b/soup/screen/mmcifs/denovo147_s20.cif @@ -0,0 +1,563 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 21 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 22 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 31 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 32 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 33 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 34 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 35 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 40 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 41 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 42 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 47 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 48 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 49 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 50 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 51 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 60 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 61 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 62 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 63 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 68 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 69 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 70 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 75 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 76 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 77 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 78 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 79 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 80 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 81 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 82 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 83 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 84 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 85 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 86 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 87 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 96 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 97 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 98 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 99 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 100 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 105 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 106 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 111 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 116 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 117 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 118 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 119 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 120 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 121 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 122 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 123 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 124 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 125 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 126 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 127 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 128 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 129 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 130 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 131 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 132 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 133 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 134 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 135 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 136 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 137 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 142 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 147 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 148 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 149 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 150 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 151 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 152 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 153 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 154 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 155 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 156 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 157 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 158 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 159 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 164 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 165 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 166 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 167 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 168 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 169 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 170 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 171 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 172 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 173 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 174 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 175 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 176 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 177 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 178 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 183 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 184 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 185 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 186 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 187 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 192 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 193 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 194 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 195 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 196 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 197 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 198 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 199 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 204 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 205 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 206 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 207 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 208 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 209 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 210 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 211 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 212 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 213 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 218 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 219 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 220 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 221 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 226 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 227 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 228 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 229 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 230 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 231 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 232 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 233 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 234 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 235 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 244 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 245 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 246 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 251 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 252 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 253 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 254 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 255 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 256 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 257 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 258 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 259 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 260 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 261 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 262 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 263 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 264 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 265 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 266 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 267 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 268 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 269 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 270 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 271 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 272 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 273 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 274 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 275 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 276 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 277 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 278 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 279 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 280 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 281 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 282 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 283 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 284 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 285 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 286 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 287 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 288 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 289 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 290 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 291 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 292 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 293 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 294 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 295 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 296 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 297 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 298 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 299 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 300 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 301 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 302 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 303 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 304 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 305 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 306 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 307 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 308 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 309 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 310 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 311 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 312 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 313 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 314 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 315 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 316 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 317 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 318 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 319 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 320 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 321 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 322 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 323 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 324 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 325 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 326 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 327 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 328 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 329 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 330 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 331 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 332 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 333 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 334 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 335 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 336 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 337 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 338 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 339 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 340 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 341 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 342 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 343 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 344 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 345 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 346 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 347 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 348 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 349 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 350 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 351 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 352 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 353 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 354 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 355 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 356 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 357 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 358 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 359 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 360 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 361 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 362 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 363 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 364 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 365 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 366 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 367 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 368 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 369 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 370 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 371 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 372 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 373 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 374 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 375 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 376 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 377 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 378 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 379 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 380 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 381 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 382 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 383 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 384 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 385 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 386 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 387 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 388 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 389 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 390 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 391 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 392 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 393 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 394 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 395 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 396 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 397 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 398 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 399 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 400 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 401 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 402 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 403 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 404 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 405 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 406 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 407 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 408 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 409 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 410 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 411 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 412 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 413 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 414 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 415 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 416 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 417 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 418 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 419 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 420 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 421 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 422 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 423 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 424 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 425 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 426 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 427 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 428 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 429 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 430 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 431 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 432 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 433 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 434 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 435 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 436 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 437 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 438 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 439 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 440 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 441 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 442 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 443 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 444 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 445 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 446 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 447 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 448 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 449 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 450 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 451 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 452 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 453 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 454 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 455 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 456 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 457 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 458 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 459 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 460 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 461 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 462 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 463 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 464 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 465 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 466 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 467 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 468 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 469 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 470 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 471 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 472 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 473 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 474 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 475 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 476 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 477 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 478 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 479 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 480 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 481 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 482 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 483 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 484 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 485 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 486 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 487 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 488 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 489 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 490 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 491 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 492 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 493 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 494 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 495 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 496 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 497 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 498 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 499 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 500 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 501 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 502 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 503 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 504 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 505 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 506 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 507 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 508 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 509 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 510 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 511 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 512 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 513 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 514 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 515 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 516 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 517 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 518 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 519 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 520 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 521 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 522 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 523 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 524 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 525 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 526 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 527 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 528 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 529 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 530 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 531 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 532 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 533 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 534 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 535 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 536 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 537 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 538 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 539 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 540 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 541 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 542 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 543 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 544 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 545 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 546 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 547 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo148_s20.cif b/soup/screen/mmcifs/denovo148_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..3a57979f057cb77d8146bd75e23e8884dab06af2 --- /dev/null +++ b/soup/screen/mmcifs/denovo148_s20.cif @@ -0,0 +1,614 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 10 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 11 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 12 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 17 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 18 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 19 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 20 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 21 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 22 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 23 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 28 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 33 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 34 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 35 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 40 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 41 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 42 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 43 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 44 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 45 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 46 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 47 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 48 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 49 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 50 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 51 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 52 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 53 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 54 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 55 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 56 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 57 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 58 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 59 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 60 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 61 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 62 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 63 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 64 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 65 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 66 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 67 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 68 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 73 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 74 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 75 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 76 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 77 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 78 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 79 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 80 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 81 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 82 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 83 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 84 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 85 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 86 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 87 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 88 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 89 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 90 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 91 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 92 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 93 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 94 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 95 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 96 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 97 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 102 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 103 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 104 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 105 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 106 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 111 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 112 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 113 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 114 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 115 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 120 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 121 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 122 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 123 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 124 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 125 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 126 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 127 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 132 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 133 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 134 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 139 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 140 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 141 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 142 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 143 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 144 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 145 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 146 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 147 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 148 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 149 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 150 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 151 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 152 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 153 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 154 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 155 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 156 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 157 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 158 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 159 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 160 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 161 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 162 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 163 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 164 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 165 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 170 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 171 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 172 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 173 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 174 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 175 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 176 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 177 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 178 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 179 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 180 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 181 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 182 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 183 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 184 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 185 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 186 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 187 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 188 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 189 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 190 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 191 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 192 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 193 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 194 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 195 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 196 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 197 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 198 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 199 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 200 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 201 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 202 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 203 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 204 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 205 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 206 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 207 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 208 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 209 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 210 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 211 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 212 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 213 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 214 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 215 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 216 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 217 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 218 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 219 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 220 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 221 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 222 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 223 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 224 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 225 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 226 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 227 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 228 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 229 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 230 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 231 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 232 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 233 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 234 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 235 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 236 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 237 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 238 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 239 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 240 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 241 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 242 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 243 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 248 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 249 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 250 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 251 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 252 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 257 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 258 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 259 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 260 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 261 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 262 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 263 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 264 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 265 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 266 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 267 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 268 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 269 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 270 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 275 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 276 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 277 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 278 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 279 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 280 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 281 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 290 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 291 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 292 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 293 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 294 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 295 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 296 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 297 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 298 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 299 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 300 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 301 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 302 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 303 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 304 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 305 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 306 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 307 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 308 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 309 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 310 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 311 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 312 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 313 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 314 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 315 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 316 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 317 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 318 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 319 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 320 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 321 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 322 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 323 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 324 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 325 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 326 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 327 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 328 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 329 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 330 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 331 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 332 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 333 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 334 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 335 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 336 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 337 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 338 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 339 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 340 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 341 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 342 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 343 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 344 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 345 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 346 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 347 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 348 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 349 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 350 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 351 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 352 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 353 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 354 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 355 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 356 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 357 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 358 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 359 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 360 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 361 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 362 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 363 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 364 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 365 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 366 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 367 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 368 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 369 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 370 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 371 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 372 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 373 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 374 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 375 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 376 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 377 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 378 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 379 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 380 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 381 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 382 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 383 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 384 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 385 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 386 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 387 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 388 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 389 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 390 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 391 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 392 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 393 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 394 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 395 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 396 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 397 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 398 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 399 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 400 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 401 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 402 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 403 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 404 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 405 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 406 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 407 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 408 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 409 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 410 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 411 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 412 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 413 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 414 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 415 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 416 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 417 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 418 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 419 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 420 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 421 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 422 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 423 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 424 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 425 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 426 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 427 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 428 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 429 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 430 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 431 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 432 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 433 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 434 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 435 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 436 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 437 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 438 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 439 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 440 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 441 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 442 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 443 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 444 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 445 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 446 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 447 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 448 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 449 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 450 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 451 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 452 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 453 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 454 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 455 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 456 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 457 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 458 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 459 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 460 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 461 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 462 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 463 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 464 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 465 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 466 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 467 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 468 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 469 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 470 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 471 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 472 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 473 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 474 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 475 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 476 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 477 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 478 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 479 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 480 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 481 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 482 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 483 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 484 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 485 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 486 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 487 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 488 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 489 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 490 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 491 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 492 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 493 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 494 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 495 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 496 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 497 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 498 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 499 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 500 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 501 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 502 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 503 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 504 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 505 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 506 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 507 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 508 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 509 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 510 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 511 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 512 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 513 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 514 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 515 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 516 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 517 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 518 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 519 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 520 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 521 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 522 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 523 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 524 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 525 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 526 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 527 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 528 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 529 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 530 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 531 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 532 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 533 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 534 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 535 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 536 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 537 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 538 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 539 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 540 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 541 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 542 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 543 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 544 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 545 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 546 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 547 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 548 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 549 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 550 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 551 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 552 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 553 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 554 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 555 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 556 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 557 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 558 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 559 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 560 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 561 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 562 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 563 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 564 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 565 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 566 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 567 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 568 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 569 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 570 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 571 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 572 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 573 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 574 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 575 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 576 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 577 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 578 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 579 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 580 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 581 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 582 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 583 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 584 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 585 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 586 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 587 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 588 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 589 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 590 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 591 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 592 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 593 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 594 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 595 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 596 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 597 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 598 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo149_s20.cif b/soup/screen/mmcifs/denovo149_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f09548e8395c940e618ef17292183309e9e66514 --- /dev/null +++ b/soup/screen/mmcifs/denovo149_s20.cif @@ -0,0 +1,630 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 10 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 11 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 12 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 13 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 18 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 19 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 20 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 21 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 22 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 23 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 24 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 29 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 30 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 35 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 36 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 37 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 38 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 43 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 44 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 45 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 50 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 51 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 52 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 53 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 54 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 59 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 60 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 61 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 66 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 67 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 68 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 69 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 70 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 71 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 72 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 73 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 74 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 75 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 76 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 77 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 78 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 79 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 88 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 89 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 90 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 95 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 96 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 97 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 98 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 99 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 100 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 101 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 102 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 103 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 104 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 105 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 106 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 107 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 108 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 109 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 110 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 115 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 116 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 117 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 118 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 119 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 120 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 121 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 126 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 127 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 128 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 129 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 130 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 131 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 132 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 133 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 134 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 135 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 136 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 137 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 138 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 139 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 140 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 141 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 146 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 147 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 148 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 149 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 150 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 151 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 152 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 153 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 154 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 155 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 156 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 157 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 158 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 159 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 160 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 161 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 162 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 163 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 164 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 165 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 166 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 167 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 168 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 169 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 170 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 171 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 172 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 173 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 174 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 175 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 176 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 177 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 178 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 179 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 180 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 181 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 182 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 183 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 184 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 185 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 186 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 187 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 188 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 189 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 190 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 191 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 192 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 193 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 194 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 195 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 200 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 201 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 202 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 203 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 204 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 205 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 206 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 207 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 208 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 209 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 210 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 211 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 212 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 213 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 214 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 215 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 216 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 217 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 218 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 219 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 220 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 221 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 222 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 223 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 224 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 225 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 226 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 227 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 228 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 229 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 230 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 231 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 232 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 233 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 234 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 235 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 236 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 237 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 238 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 239 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 240 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 241 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 242 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 243 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 244 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 245 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 246 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 247 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 248 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 249 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 250 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 251 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 252 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 253 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 254 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 255 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 256 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 257 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 258 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 259 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 260 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 261 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 262 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 263 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 264 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 265 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 266 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 267 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 268 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 269 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 270 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 271 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 272 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 273 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 274 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 275 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 276 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 277 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 278 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 279 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 280 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 281 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 282 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 283 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 284 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 285 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 286 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 287 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 288 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 289 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 290 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 291 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 292 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 293 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 294 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 295 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 296 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 297 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 298 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 299 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 300 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 301 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 302 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 303 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 304 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 305 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 306 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 307 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 308 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 309 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 310 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 311 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 312 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 313 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 314 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 315 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 316 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 317 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 318 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 319 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 320 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 321 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 322 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 323 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 324 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 325 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 326 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 327 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 328 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 329 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 330 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 331 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 332 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 333 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 334 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 335 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 336 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 337 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 338 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 339 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 340 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 341 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 342 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 343 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 344 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 345 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 346 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 347 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 348 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 349 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 350 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 351 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 352 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 353 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 354 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 355 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 356 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 357 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 358 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 359 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 360 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 361 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 362 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 363 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 364 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 365 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 366 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 367 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 368 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 369 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 370 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 371 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 372 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 373 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 374 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 375 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 376 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 377 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 378 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 379 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 380 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 381 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 382 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 383 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 384 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 385 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 386 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 387 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 388 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 389 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 390 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 391 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 392 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 393 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 394 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 395 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 396 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 397 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 398 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 399 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 400 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 401 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 402 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 403 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 404 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 405 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 406 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 407 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 408 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 409 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 410 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 411 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 412 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 413 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 414 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 415 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 416 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 417 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 418 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 419 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 420 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 421 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 422 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 423 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 424 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 425 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 426 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 427 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 428 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 429 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 430 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 431 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 432 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 433 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 434 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 435 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 436 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 437 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 438 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 439 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 440 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 441 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 442 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 443 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 444 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 445 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 446 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 447 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 448 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 449 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 450 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 451 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 452 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 453 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 454 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 455 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 456 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 457 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 458 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 459 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 460 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 461 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 462 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 463 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 464 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 465 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 466 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 467 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 468 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 469 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 470 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 471 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 472 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 473 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 474 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 475 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 476 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 477 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 478 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 479 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 480 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 481 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 482 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 483 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 484 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 485 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 486 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 487 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 488 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 489 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 490 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 491 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 492 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 493 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 494 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 495 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 496 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 497 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 498 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 499 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 500 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 501 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 502 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 503 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 504 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 505 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 506 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 507 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 508 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 509 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 510 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 511 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 512 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 513 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 514 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 515 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 516 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 517 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 518 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 519 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 520 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 521 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 522 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 523 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 524 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 525 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 526 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 527 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 528 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 529 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 530 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 531 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 532 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 533 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 534 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 535 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 536 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 537 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 538 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 539 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 540 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 541 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 542 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 543 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 544 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 545 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 546 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 547 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 548 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 549 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 550 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 551 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 552 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 553 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 554 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 555 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 556 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 557 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 558 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 559 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 560 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 561 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 562 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 563 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 564 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 565 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 566 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 567 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 568 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 569 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 570 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 571 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 572 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 573 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 574 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 575 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 576 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 577 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 578 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 579 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 580 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 581 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 582 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 583 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 584 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 585 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 586 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 587 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 588 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 589 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 590 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 591 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 592 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 593 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 594 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 595 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 596 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 597 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 598 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 599 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 600 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 601 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 602 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 603 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 604 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 605 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 606 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 607 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 608 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 609 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 610 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 611 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 612 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 613 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 614 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo14_s20.cif b/soup/screen/mmcifs/denovo14_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..a3fb59941b36e70cb2d5e0a8eff488b7dd739051 --- /dev/null +++ b/soup/screen/mmcifs/denovo14_s20.cif @@ -0,0 +1,615 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 13 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 14 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 15 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 16 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 17 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 18 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 19 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 24 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 25 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 26 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 31 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 36 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 41 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 46 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 47 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 48 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 49 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 50 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 55 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 56 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 57 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 62 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 63 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 64 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 65 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 66 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 71 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 72 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 73 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 78 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 79 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 84 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 85 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 86 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 87 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 92 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 93 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 94 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 99 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 100 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 101 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 102 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 103 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 104 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 105 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 106 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 111 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 112 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 113 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 118 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 119 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 120 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 125 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 126 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 127 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 128 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 129 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 130 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 131 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 136 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 137 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 138 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 139 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 140 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 145 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 150 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 151 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 152 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 153 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 154 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 155 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 156 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 161 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 162 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 167 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 168 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 169 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 170 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 171 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 172 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 173 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 174 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 175 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 176 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 177 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 178 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 179 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 180 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 181 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 190 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 191 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 192 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 193 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 194 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 195 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 196 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 197 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 198 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 199 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 200 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 201 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 202 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 203 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 204 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 205 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 206 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 211 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 212 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 213 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 218 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 219 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 220 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 221 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 222 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 223 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 224 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 229 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 230 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 235 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 236 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 237 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 238 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 239 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 240 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 241 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 242 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 243 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 248 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 249 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 254 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 255 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 256 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 257 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 258 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 259 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 260 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 261 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 262 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 263 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 264 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 265 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 266 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 267 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 272 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 273 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 274 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 275 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 276 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 281 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 282 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 283 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 288 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 289 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 290 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 291 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 292 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 297 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 298 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 299 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 304 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 305 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 306 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 307 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 308 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 309 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 310 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 311 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 312 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 317 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 318 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 319 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 324 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 325 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 326 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 327 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 328 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 329 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 330 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 335 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 336 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 337 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 342 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 343 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 344 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 345 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 346 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 347 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 348 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 349 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 350 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 351 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 352 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 353 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 354 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 355 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 356 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 357 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 358 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 359 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 360 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 361 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 362 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 363 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 368 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 369 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 370 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 375 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 376 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 377 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 378 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 379 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 380 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 381 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 382 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 383 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 384 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 385 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 386 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 387 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 388 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 389 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 390 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 399 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 400 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 401 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 402 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 403 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 404 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 405 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 406 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 407 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 408 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 409 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 410 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 411 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 412 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 413 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 414 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 415 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 416 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 417 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 418 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 419 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 420 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 421 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 422 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 423 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 424 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 425 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 426 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 427 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 428 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 429 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 430 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 431 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 432 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 433 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 434 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 435 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 436 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 437 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 438 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 439 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 440 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 441 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 442 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 443 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 444 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 445 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 446 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 447 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 448 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 449 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 450 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 451 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 452 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 453 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 454 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 455 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 456 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 457 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 458 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 459 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 460 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 461 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 462 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 463 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 464 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 465 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 466 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 467 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 468 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 469 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 470 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 471 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 472 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 473 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 478 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 479 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 480 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 481 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 482 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 483 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 484 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 485 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 486 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 487 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 488 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 489 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 490 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 491 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 492 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 493 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 494 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 495 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 496 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 497 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 498 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 499 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 500 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 501 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 502 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 503 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 504 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 505 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 506 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 507 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 508 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 509 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 510 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 511 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 512 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 513 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 514 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 515 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 516 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 517 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 518 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 519 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 520 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 521 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 522 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 523 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 524 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 525 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 526 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 527 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 528 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 529 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 530 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 531 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 532 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 533 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 534 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 535 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 536 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 537 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 538 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 539 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 540 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 541 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 542 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 543 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 544 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 545 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 546 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 547 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 548 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 549 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 550 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 551 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 552 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 553 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 554 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 555 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 556 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 557 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 558 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 559 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 560 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 561 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 562 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 563 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 564 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 565 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 566 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 567 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 568 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 569 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 570 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 571 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 572 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 573 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 574 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 575 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 576 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 577 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 578 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 579 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 580 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 581 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 582 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 583 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 584 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 585 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 586 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 587 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 588 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 589 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 590 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 591 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 592 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 593 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 594 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 595 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 596 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 597 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 598 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 599 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo150_s20.cif b/soup/screen/mmcifs/denovo150_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b0845eb6248ff7da0fce43757bfe724c11e8c55a --- /dev/null +++ b/soup/screen/mmcifs/denovo150_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 10 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 11 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 12 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 13 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 14 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 19 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 20 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 21 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 26 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 27 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 32 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 33 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 34 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 39 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 40 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 41 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 42 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 43 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 44 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 45 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 50 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 51 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 52 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 57 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 58 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 59 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 64 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 65 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 66 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 67 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 68 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 73 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 74 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 75 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 76 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 81 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 82 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 83 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 84 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 85 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 86 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 87 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 88 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 89 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 90 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 91 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 92 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 93 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 98 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 103 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 104 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 109 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 110 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 111 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 116 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 117 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 118 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 119 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 124 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 125 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 126 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 131 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 132 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 133 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 138 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 139 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 140 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 141 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 146 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 147 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 148 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 149 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 150 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 151 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 152 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 153 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 154 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 155 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 156 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 157 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 158 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 159 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 160 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 161 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 162 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 167 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 168 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 169 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 174 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 175 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 176 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 177 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 178 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 183 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 184 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 185 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 186 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 187 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 188 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 189 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 190 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 191 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 192 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 193 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 198 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 199 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 200 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 205 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 206 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 207 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 208 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 209 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 210 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 211 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 212 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 213 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 214 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 219 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 220 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 221 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 230 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 235 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 236 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 237 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 238 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 239 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 240 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 241 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 242 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 243 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 244 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 245 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 246 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 247 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 248 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 249 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 250 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 251 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 252 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 253 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 254 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 255 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 256 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 257 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 258 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 259 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 260 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 265 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 266 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 267 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 272 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 273 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 278 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 279 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 280 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 281 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 282 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 283 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 284 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 285 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 286 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 287 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 288 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 289 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 290 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 291 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 292 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 293 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 294 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 295 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 296 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 297 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 298 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 303 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 304 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 305 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 310 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 311 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 312 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 313 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 314 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 315 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 316 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 317 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 318 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 319 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 320 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 321 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 322 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 323 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 324 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 325 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 326 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 327 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 328 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 333 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 334 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 335 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 336 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 337 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 342 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 347 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 348 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 349 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 350 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 351 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 352 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 353 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 354 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 355 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 356 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 357 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 358 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 359 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 360 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 361 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 362 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 363 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 364 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 365 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 366 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 367 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 368 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 369 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 370 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 375 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 376 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 377 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 378 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 379 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 380 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 381 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 382 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 383 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 384 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 385 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 386 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 387 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 388 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 389 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 390 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 391 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 392 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 393 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 394 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 395 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 396 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 397 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 398 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 399 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 400 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 401 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 402 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 403 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 404 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 405 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 406 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 407 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 408 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 409 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 410 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 411 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 412 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 413 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 414 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 415 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 416 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 417 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 418 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 419 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 420 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 421 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 422 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 423 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 424 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 425 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 426 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 427 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 428 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 429 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 430 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 431 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 432 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 433 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 434 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 435 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 436 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 437 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 438 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 439 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 440 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 441 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 442 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 443 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 444 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 445 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 446 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 447 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 448 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 449 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 450 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 451 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 452 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 453 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 454 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 455 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 456 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 457 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 458 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 459 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 460 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 461 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 462 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 463 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 464 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 465 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 466 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 467 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 468 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 469 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 470 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 471 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 472 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 473 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 474 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 475 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 476 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 477 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 478 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 479 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 480 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 481 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 482 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 483 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 484 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 485 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 486 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 487 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 488 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 489 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 490 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 491 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 492 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 493 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 494 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 495 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 496 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 497 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 498 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 503 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 504 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 509 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 510 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 511 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 512 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 517 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 518 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 519 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 524 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 525 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 526 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 527 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 528 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 529 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 530 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 531 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 532 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 533 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 534 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 535 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 536 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 537 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 538 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 539 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 540 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 541 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 542 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 543 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 544 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 545 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 546 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 547 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 548 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 549 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 554 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 555 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 556 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 561 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 562 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 563 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 564 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 565 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 566 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 567 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 568 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 569 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 570 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 571 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 572 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 573 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 574 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 575 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 576 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 577 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo151_s20.cif b/soup/screen/mmcifs/denovo151_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..70800459bc9a782441f01c5f22c7ee844b0c41e1 --- /dev/null +++ b/soup/screen/mmcifs/denovo151_s20.cif @@ -0,0 +1,619 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 12 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 13 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 14 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 19 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 20 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 21 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 22 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 23 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 28 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 29 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 30 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 35 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 36 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 37 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 42 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 43 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 44 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 49 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 50 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 55 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 56 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 57 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 58 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 59 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 60 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 61 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 62 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 67 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 68 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 69 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 70 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 75 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 76 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 77 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 82 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 83 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 84 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 89 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 90 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 91 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 92 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 93 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 94 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 95 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 100 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 101 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 102 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 103 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 104 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 109 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 110 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 111 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 112 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 113 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 118 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 119 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 124 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 125 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 126 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 131 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 132 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 133 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 134 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 135 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 136 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 137 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 138 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 139 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 140 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 141 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 146 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 147 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 148 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 149 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 150 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 151 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 152 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 157 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 162 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 167 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 168 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 169 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 174 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 175 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 176 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 181 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 182 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 183 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 184 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 185 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 190 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 191 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 192 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 193 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 194 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 195 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 196 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 197 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 198 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 199 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 204 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 205 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 206 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 207 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 208 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 209 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 210 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 211 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 212 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 213 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 214 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 219 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 220 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 221 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 226 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 227 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 228 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 229 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 230 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 231 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 232 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 233 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 234 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 235 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 236 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 237 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 238 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 239 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 240 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 245 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 246 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 247 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 252 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 253 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 254 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 255 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 256 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 257 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 258 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 259 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 260 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 261 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 262 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 263 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 264 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 265 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 266 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 267 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 268 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 269 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 270 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 271 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 272 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 273 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 274 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 275 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 276 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 277 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 278 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 279 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 284 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 285 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 286 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 291 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 292 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 293 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 294 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 295 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 296 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 297 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 298 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 299 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 300 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 301 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 302 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 303 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 304 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 305 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 306 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 307 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 308 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 309 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 314 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 315 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 316 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 317 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 318 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 319 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 320 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 321 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 322 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 323 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 324 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 325 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 326 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 327 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 328 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 329 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 330 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 331 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 332 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 333 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 334 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 335 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 336 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 337 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 342 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 343 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 344 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 345 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 346 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 347 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 348 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 349 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 350 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 351 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 352 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 353 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 354 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 355 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 356 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 357 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 358 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 359 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 360 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 361 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 362 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 363 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 364 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 369 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 370 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 371 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 372 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 373 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 374 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 375 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 376 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 377 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 378 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 379 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 380 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 381 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 382 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 383 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 388 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 389 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 390 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 391 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 392 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 393 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 394 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 395 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 396 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 397 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 398 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 399 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 404 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 405 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 406 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 411 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 412 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 413 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 414 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 415 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 416 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 417 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 418 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 419 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 420 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 421 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 422 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 423 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 424 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 425 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 426 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 427 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 428 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 429 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 430 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 431 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 432 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 433 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 434 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 435 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 436 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 437 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 438 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 439 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 440 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 441 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 442 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 443 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 444 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 445 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 446 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 447 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 448 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 449 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 450 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 451 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 452 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 453 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 454 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 455 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 456 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 457 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 458 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 459 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 460 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 461 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 462 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 463 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 464 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 465 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 466 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 467 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 468 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 473 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 474 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 475 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 476 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 477 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 478 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 479 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 480 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 481 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 482 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 483 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 484 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 485 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 486 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 487 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 488 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 489 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 490 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 491 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 492 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 493 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 494 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 495 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 496 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 497 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 498 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 499 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 500 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 501 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 506 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 507 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 508 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 509 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 510 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 511 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 512 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 513 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 514 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 515 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 516 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 517 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 518 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 519 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 520 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 521 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 522 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 523 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 524 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 525 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 526 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 527 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 528 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 529 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 530 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 531 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 532 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 533 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 534 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 535 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 536 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 537 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 538 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 539 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 540 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 541 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 542 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 543 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 544 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 545 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 546 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 547 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 548 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 549 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 550 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 551 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 552 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 553 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 554 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 555 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 556 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 557 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 558 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 559 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 560 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 561 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 562 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 563 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 564 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 565 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 566 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 567 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 568 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 569 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 570 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 571 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 572 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 573 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 574 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 575 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 576 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 577 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 578 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 579 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 584 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 585 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 586 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 587 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 588 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 589 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 590 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 591 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 592 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 593 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 594 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 595 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 596 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 597 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 598 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 599 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 600 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 601 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 602 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 603 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo152_s20.cif b/soup/screen/mmcifs/denovo152_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..0d7f59b516cc5055aa064eb585e85b9be8a1ed65 --- /dev/null +++ b/soup/screen/mmcifs/denovo152_s20.cif @@ -0,0 +1,614 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 12 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 13 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 14 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 15 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 16 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 17 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 18 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 19 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 24 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 25 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 30 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 31 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 32 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 33 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 34 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 39 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 40 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 41 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 42 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 43 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 48 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 49 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 54 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 55 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 56 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 65 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 66 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 67 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 72 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 73 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 74 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 75 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 76 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 77 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 78 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 79 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 80 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 81 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 82 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 83 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 84 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 85 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 86 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 87 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 88 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 89 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 90 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 95 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 96 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 97 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 102 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 103 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 104 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 109 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 110 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 111 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 116 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 117 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 118 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 119 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 124 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 125 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 126 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 127 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 132 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 133 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 134 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 139 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 140 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 141 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 142 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 143 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 148 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 149 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 150 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 155 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 156 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 157 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 162 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 163 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 164 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 165 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 166 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 171 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 172 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 173 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 174 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 175 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 176 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 177 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 178 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 179 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 184 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 185 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 186 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 187 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 188 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 189 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 190 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 191 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 192 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 193 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 194 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 195 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 196 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 197 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 198 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 199 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 200 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 201 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 202 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 203 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 204 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 205 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 206 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 207 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 208 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 209 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 210 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 211 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 212 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 213 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 214 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 215 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 216 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 217 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 218 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 219 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 220 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 221 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 222 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 223 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 224 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 225 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 226 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 227 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 228 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 229 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 230 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 231 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 232 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 233 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 234 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 235 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 236 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 237 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 238 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 239 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 240 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 241 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 242 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 243 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 244 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 245 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 246 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 251 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 252 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 257 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 258 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 259 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 260 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 261 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 262 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 263 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 264 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 265 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 266 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 267 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 268 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 269 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 274 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 275 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 276 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 277 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 278 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 279 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 280 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 281 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 282 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 283 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 284 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 285 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 286 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 287 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 288 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 289 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 290 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 291 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 292 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 293 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 294 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 295 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 296 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 297 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 298 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 303 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 304 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 305 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 310 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 311 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 312 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 317 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 318 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 319 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 320 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 321 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 326 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 327 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 328 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 333 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 334 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 335 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 336 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 337 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 338 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 339 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 340 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 341 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 342 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 347 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 348 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 349 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 350 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 351 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 352 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 353 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 354 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 355 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 356 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 357 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 358 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 359 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 360 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 361 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 362 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 363 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 364 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 365 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 366 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 367 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 368 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 369 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 370 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 371 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 372 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 373 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 374 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 375 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 376 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 377 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 378 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 379 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 380 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 381 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 382 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 383 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 384 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 385 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 386 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 387 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 388 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 389 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 390 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 391 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 392 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 393 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 394 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 395 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 396 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 397 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 398 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 399 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 400 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 401 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 402 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 403 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 404 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 405 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 406 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 407 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 408 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 409 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 410 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 411 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 412 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 413 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 414 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 415 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 416 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 417 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 418 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 419 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 420 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 421 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 422 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 423 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 424 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 425 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 426 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 427 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 428 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 429 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 430 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 431 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 432 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 433 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 434 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 435 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 436 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 437 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 438 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 439 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 440 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 441 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 442 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 443 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 444 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 445 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 446 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 447 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 448 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 449 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 450 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 451 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 452 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 453 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 454 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 455 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 456 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 457 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 458 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 459 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 460 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 461 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 462 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 463 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 464 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 465 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 466 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 467 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 468 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 469 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 470 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 471 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 472 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 473 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 474 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 475 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 476 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 477 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 478 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 479 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 480 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 481 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 482 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 483 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 484 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 485 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 486 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 487 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 488 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 489 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 490 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 491 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 492 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 493 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 494 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 495 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 496 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 497 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 498 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 499 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 500 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 501 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 502 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 503 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 504 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 505 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 506 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 507 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 508 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 509 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 510 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 511 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 512 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 513 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 514 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 515 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 516 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 517 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 518 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 519 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 520 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 521 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 522 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 523 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 524 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 525 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 526 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 527 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 528 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 529 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 530 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 531 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 532 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 533 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 534 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 535 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 536 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 537 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 538 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 539 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 540 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 541 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 542 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 543 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 544 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 545 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 546 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 547 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 548 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 549 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 550 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 551 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 552 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 553 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 554 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 555 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 556 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 557 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 558 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 559 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 560 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 561 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 562 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 563 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 564 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 565 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 566 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 567 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 568 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 569 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 570 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 571 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 572 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 573 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 574 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 575 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 576 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 577 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 578 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 579 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 580 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 581 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 582 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 583 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 584 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 585 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 586 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 587 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 588 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 589 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 590 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 591 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 592 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 593 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 594 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 595 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 596 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 597 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 598 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo153_s20.cif b/soup/screen/mmcifs/denovo153_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..442c114e00209de9ca7c43ef0c82ee8a43b30da3 --- /dev/null +++ b/soup/screen/mmcifs/denovo153_s20.cif @@ -0,0 +1,576 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 17 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 18 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 19 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 24 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 25 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 26 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 35 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 36 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 37 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 42 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 43 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 44 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 45 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 46 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 47 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 48 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 53 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 58 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 59 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 60 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 65 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 66 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 67 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 72 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 77 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 78 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 79 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 80 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 85 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 86 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 87 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 88 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 89 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 94 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 99 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 100 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 105 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 106 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 107 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 112 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 113 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 122 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 123 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 124 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 125 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 126 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 127 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 128 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 129 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 130 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 131 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 132 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 133 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 134 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 135 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 136 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 137 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 138 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 139 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 140 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 141 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 142 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 143 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 144 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 145 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 146 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 147 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 148 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 149 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 150 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 151 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 152 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 153 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 154 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 155 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 156 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 157 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 158 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 159 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 160 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 161 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 162 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 163 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 164 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 165 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 166 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 167 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 168 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 169 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 170 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 171 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 172 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 173 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 174 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 175 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 176 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 177 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 178 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 179 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 180 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 181 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 182 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 187 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 188 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 189 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 190 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 191 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 192 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 193 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 194 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 195 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 196 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 197 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 198 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 199 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 200 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 201 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 202 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 203 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 204 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 205 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 206 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 207 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 208 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 209 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 210 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 211 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 212 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 213 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 214 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 215 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 216 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 217 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 218 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 219 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 220 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 221 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 222 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 223 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 224 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 225 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 226 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 227 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 228 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 229 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 230 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 231 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 232 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 233 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 234 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 235 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 236 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 237 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 238 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 239 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 240 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 241 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 242 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 243 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 244 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 245 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 246 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 247 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 248 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 249 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 250 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 251 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 252 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 253 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 254 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 255 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 256 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 257 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 258 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 259 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 260 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 261 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 262 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 263 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 264 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 265 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 266 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 267 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 268 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 269 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 270 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 271 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 272 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 273 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 274 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 275 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 276 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 277 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 278 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 279 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 280 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 281 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 282 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 283 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 284 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 285 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 286 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 287 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 288 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 289 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 290 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 291 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 292 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 293 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 294 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 295 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 296 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 297 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 298 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 299 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 300 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 301 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 302 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 303 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 304 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 305 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 306 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 307 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 308 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 309 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 310 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 311 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 312 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 313 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 314 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 315 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 316 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 317 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 318 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 319 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 320 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 321 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 322 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 323 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 324 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 325 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 326 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 327 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 328 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 329 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 330 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 331 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 332 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 333 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 334 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 335 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 336 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 337 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 338 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 339 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 340 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 341 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 342 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 343 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 344 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 345 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 346 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 347 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 348 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 349 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 350 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 351 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 352 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 353 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 354 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 355 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 356 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 357 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 358 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 359 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 360 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 361 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 362 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 363 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 364 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 365 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 366 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 367 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 368 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 369 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 370 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 371 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 372 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 373 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 374 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 375 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 376 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 377 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 378 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 379 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 380 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 381 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 382 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 383 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 384 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 385 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 386 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 387 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 388 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 389 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 390 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 391 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 392 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 393 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 394 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 395 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 396 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 397 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 398 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 399 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 400 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 401 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 402 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 403 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 404 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 405 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 406 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 407 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 408 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 409 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 410 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 411 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 412 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 413 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 414 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 415 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 416 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 417 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 418 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 419 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 420 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 421 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 422 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 423 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 424 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 425 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 426 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 427 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 428 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 429 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 430 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 431 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 432 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 433 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 434 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 435 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 436 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 437 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 438 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 439 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 440 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 441 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 442 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 443 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 444 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 445 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 446 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 447 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 448 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 449 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 450 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 451 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 452 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 453 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 454 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 455 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 456 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 457 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 458 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 459 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 460 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 461 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 462 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 463 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 464 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 465 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 466 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 467 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 468 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 469 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 470 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 471 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 472 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 473 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 474 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 475 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 476 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 481 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 482 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 483 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 484 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 485 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 486 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 487 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 488 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 489 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 490 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 491 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 492 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 493 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 494 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 495 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 496 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 497 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 498 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 499 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 500 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 501 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 502 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 503 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 504 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 509 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 510 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 511 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 512 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 513 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 514 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 515 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 516 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 517 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 518 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 519 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 520 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 521 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 522 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 523 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 524 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 525 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 526 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 527 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 528 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 529 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 530 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 531 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 532 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 533 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 534 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 535 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 536 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 537 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 538 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 539 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 540 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 541 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 542 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 543 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 544 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 545 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 546 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 547 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 548 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 549 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 550 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 551 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 552 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 553 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 554 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 555 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 556 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 557 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 558 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 559 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 560 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo154_s20.cif b/soup/screen/mmcifs/denovo154_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2348f3020d07925c8da77d9653b4a9b60e3b1e29 --- /dev/null +++ b/soup/screen/mmcifs/denovo154_s20.cif @@ -0,0 +1,615 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 19 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 20 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 21 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 22 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 23 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 32 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 33 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 38 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 39 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 40 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 41 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 46 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 47 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 48 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 49 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 50 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 51 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 52 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 53 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 54 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 55 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 56 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 61 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 62 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 63 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 72 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 73 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 74 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 75 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 76 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 77 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 78 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 79 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 80 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 81 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 82 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 87 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 88 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 89 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 90 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 91 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 96 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 97 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 98 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 99 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 100 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 105 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 110 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 111 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 116 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 117 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 118 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 119 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 120 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 125 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 126 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 127 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 128 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 133 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 134 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 135 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 136 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 137 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 142 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 143 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 144 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 145 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 146 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 147 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 148 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 149 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 150 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 151 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 156 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 157 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 158 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 159 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 160 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 161 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 162 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 163 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 164 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 165 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 166 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 167 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 168 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 169 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 170 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 171 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 172 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 173 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 174 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 175 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 176 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 177 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 178 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 179 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 184 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 185 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 186 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 187 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 188 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 189 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 190 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 191 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 192 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 197 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 198 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 199 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 200 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 201 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 202 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 203 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 204 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 205 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 206 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 207 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 212 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 213 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 214 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 215 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 216 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 217 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 218 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 219 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 220 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 221 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 222 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 223 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 224 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 225 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 226 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 227 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 228 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 229 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 230 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 231 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 232 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 233 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 234 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 235 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 236 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 237 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 238 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 239 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 240 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 245 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 246 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 247 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 248 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 249 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 250 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 251 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 252 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 253 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 254 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 255 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 256 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 257 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 258 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 259 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 260 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 265 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 266 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 267 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 268 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 269 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 274 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 275 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 276 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 277 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 278 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 279 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 280 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 281 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 282 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 283 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 284 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 285 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 286 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 287 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 288 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 289 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 290 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 291 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 292 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 293 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 294 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 295 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 296 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 297 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 298 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 299 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 300 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 301 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 302 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 303 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 304 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 305 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 306 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 307 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 308 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 309 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 310 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 311 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 316 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 317 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 318 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 323 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 324 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 325 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 326 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 327 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 328 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 329 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 330 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 331 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 332 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 333 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 334 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 335 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 336 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 337 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 338 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 339 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 340 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 341 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 342 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 343 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 344 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 345 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 346 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 347 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 348 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 349 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 350 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 351 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 352 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 353 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 354 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 355 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 356 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 357 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 358 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 359 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 360 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 361 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 362 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 363 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 364 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 365 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 366 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 367 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 368 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 369 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 370 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 371 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 372 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 373 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 374 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 375 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 376 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 377 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 378 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 379 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 380 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 381 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 382 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 383 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 384 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 385 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 386 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 387 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 388 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 389 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 390 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 391 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 392 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 393 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 394 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 395 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 396 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 397 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 398 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 399 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 400 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 401 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 402 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 403 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 404 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 405 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 406 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 407 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 408 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 409 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 410 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 411 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 412 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 413 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 414 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 415 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 416 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 417 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 418 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 419 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 420 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 421 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 422 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 423 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 424 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 425 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 426 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 427 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 428 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 429 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 430 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 431 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 432 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 433 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 434 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 435 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 436 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 437 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 438 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 439 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 440 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 441 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 442 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 443 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 444 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 445 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 446 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 447 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 448 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 449 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 450 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 451 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 452 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 453 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 454 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 455 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 456 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 457 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 458 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 459 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 460 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 461 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 462 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 463 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 464 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 465 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 466 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 467 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 468 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 469 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 470 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 471 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 472 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 473 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 474 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 475 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 476 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 477 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 478 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 479 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 480 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 481 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 482 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 483 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 484 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 485 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 486 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 487 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 488 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 489 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 490 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 491 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 492 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 493 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 494 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 495 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 496 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 497 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 498 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 499 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 500 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 501 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 502 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 503 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 504 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 505 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 506 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 507 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 508 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 509 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 510 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 511 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 512 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 513 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 514 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 515 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 516 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 517 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 518 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 519 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 520 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 521 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 522 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 523 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 524 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 525 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 526 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 527 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 528 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 529 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 530 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 531 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 532 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 533 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 534 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 535 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 536 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 537 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 538 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 539 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 540 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 541 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 542 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 543 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 544 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 545 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 546 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 547 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 548 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 549 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 550 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 551 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 552 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 553 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 554 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 555 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 556 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 557 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 558 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 559 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 560 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 561 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 562 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 563 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 564 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 565 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 566 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 567 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 568 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 569 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 570 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 571 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 572 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 573 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 574 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 575 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 576 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 577 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 578 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 579 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 580 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 581 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 582 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 583 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 584 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 585 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 586 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 587 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 588 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 589 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 590 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 591 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 592 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 593 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 594 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 595 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 596 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 597 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 598 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 599 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo155_s20.cif b/soup/screen/mmcifs/denovo155_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..df3f033d8eb6485a1c6ca3a7bb2355090100f076 --- /dev/null +++ b/soup/screen/mmcifs/denovo155_s20.cif @@ -0,0 +1,585 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 11 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 12 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 13 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 14 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 15 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 20 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 21 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 22 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 23 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 28 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 29 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 30 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 31 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 32 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 33 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 34 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 35 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 36 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 37 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 38 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 39 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 44 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 45 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 46 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 47 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 52 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 57 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 58 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 59 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 64 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 65 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 66 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 71 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 72 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 73 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 74 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 75 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 80 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 81 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 82 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 87 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 88 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 89 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 98 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 99 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 100 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 101 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 102 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 103 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 104 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 105 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 106 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 111 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 112 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 113 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 114 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 115 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 120 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 121 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 122 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 123 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 124 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 125 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 126 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 135 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 136 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 137 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 142 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 143 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 148 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 149 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 150 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 155 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 156 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 157 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 162 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 163 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 164 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 165 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 166 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 167 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 168 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 169 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 170 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 171 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 172 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 173 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 174 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 175 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 176 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 177 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 178 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 179 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 184 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 185 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 186 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 187 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 188 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 197 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 198 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 199 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 200 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 201 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 202 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 203 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 204 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 205 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 206 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 207 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 208 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 209 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 210 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 211 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 212 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 213 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 214 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 219 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 220 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 221 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 222 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 223 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 224 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 225 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 230 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 231 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 232 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 233 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 234 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 235 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 236 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 237 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 238 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 239 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 240 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 245 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 246 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 247 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 252 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 257 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 258 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 259 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 260 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 261 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 262 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 263 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 264 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 265 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 266 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 267 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 272 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 273 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 274 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 275 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 276 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 281 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 282 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 283 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 284 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 285 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 290 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 291 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 292 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 297 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 298 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 299 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 304 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 305 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 306 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 307 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 308 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 309 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 310 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 311 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 312 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 313 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 314 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 315 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 316 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 317 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 318 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 319 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 320 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 321 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 322 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 323 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 324 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 325 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 326 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 327 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 328 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 329 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 330 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 331 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 332 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 333 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 334 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 335 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 336 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 337 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 338 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 339 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 340 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 341 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 342 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 343 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 344 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 345 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 346 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 347 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 348 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 349 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 350 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 351 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 352 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 353 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 354 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 355 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 360 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 361 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 362 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 363 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 364 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 365 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 366 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 367 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 368 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 369 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 370 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 371 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 372 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 373 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 374 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 375 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 376 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 377 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 378 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 379 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 380 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 381 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 382 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 383 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 384 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 385 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 386 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 387 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 388 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 389 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 390 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 391 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 392 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 393 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 394 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 399 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 400 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 401 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 402 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 403 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 404 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 405 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 406 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 407 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 408 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 409 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 410 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 411 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 412 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 413 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 414 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 415 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 416 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 417 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 418 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 419 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 420 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 421 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 422 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 423 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 424 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 425 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 426 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 427 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 428 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 429 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 430 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 431 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 432 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 433 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 434 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 435 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 436 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 437 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 438 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 439 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 440 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 441 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 442 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 443 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 444 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 445 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 446 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 447 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 448 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 449 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 454 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 455 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 456 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 457 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 458 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 459 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 460 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 461 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 462 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 463 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 464 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 465 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 466 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 467 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 468 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 469 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 470 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 471 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 472 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 473 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 474 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 475 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 476 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 477 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 478 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 479 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 480 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 481 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 482 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 483 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 484 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 485 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 486 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 487 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 488 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 489 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 490 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 491 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 492 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 493 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 494 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 495 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 496 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 497 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 498 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 499 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 500 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 501 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 502 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 503 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 504 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 505 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 506 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 507 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 508 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 509 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 510 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 511 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 512 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 513 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 514 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 515 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 516 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 517 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 518 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 519 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 520 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 521 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 522 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 523 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 524 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 525 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 526 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 527 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 528 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 529 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 530 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 531 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 532 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 533 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 534 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 535 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 536 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 537 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 538 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 539 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 540 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 545 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 550 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 551 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 552 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 553 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 554 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 555 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 556 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 557 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 558 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 559 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 560 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 561 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 562 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 563 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 564 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 565 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 566 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 567 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 568 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 569 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo156_s20.cif b/soup/screen/mmcifs/denovo156_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..5d680eb0b2835227e5abf731d16e47e9e38a43b9 --- /dev/null +++ b/soup/screen/mmcifs/denovo156_s20.cif @@ -0,0 +1,598 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 13 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 14 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 15 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 16 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 17 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 22 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 23 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 24 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 33 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 34 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 35 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 40 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 41 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 42 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 43 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 44 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 45 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 46 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 51 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 52 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 61 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 62 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 63 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 64 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 65 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 66 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 67 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 72 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 73 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 74 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 79 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 80 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 81 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 82 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 83 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 88 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 89 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 94 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 95 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 100 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 101 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 106 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 107 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 108 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 113 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 114 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 115 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 116 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 117 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 118 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 119 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 124 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 125 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 126 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 131 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 132 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 133 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 138 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 139 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 140 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 141 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 142 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 143 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 144 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 145 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 146 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 147 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 148 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 149 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 150 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 151 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 152 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 153 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 154 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 155 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 156 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 157 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 162 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 163 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 164 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 165 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 166 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 167 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 168 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 169 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 170 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 171 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 172 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 173 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 174 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 175 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 176 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 177 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 178 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 179 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 180 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 181 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 182 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 183 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 184 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 189 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 190 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 191 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 192 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 193 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 194 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 195 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 196 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 197 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 198 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 199 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 200 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 201 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 202 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 203 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 204 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 205 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 206 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 207 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 208 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 209 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 210 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 211 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 212 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 213 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 214 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 215 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 216 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 217 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 218 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 219 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 220 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 221 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 222 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 223 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 224 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 225 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 226 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 227 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 228 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 229 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 230 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 231 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 232 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 233 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 234 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 235 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 236 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 237 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 238 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 239 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 240 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 241 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 242 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 243 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 244 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 245 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 246 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 247 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 252 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 253 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 254 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 255 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 256 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 257 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 258 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 259 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 260 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 269 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 270 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 271 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 272 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 273 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 274 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 275 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 276 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 277 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 282 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 283 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 288 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 289 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 290 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 291 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 292 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 293 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 294 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 295 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 296 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 297 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 298 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 299 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 300 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 301 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 302 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 303 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 304 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 305 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 306 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 307 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 308 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 309 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 310 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 311 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 312 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 317 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 318 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 319 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 320 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 321 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 326 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 327 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 328 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 329 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 330 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 331 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 332 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 333 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 334 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 335 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 336 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 337 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 338 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 343 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 344 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 345 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 350 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 351 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 352 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 353 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 354 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 359 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 360 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 361 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 362 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 363 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 364 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 365 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 366 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 367 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 368 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 369 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 370 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 371 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 372 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 373 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 374 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 375 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 376 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 377 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 378 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 379 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 380 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 381 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 382 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 383 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 388 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 389 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 390 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 391 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 392 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 393 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 394 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 395 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 396 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 401 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 402 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 403 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 408 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 409 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 410 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 411 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 416 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 417 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 418 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 419 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 420 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 421 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 422 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 423 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 424 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 425 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 426 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 427 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 428 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 429 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 430 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 431 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 432 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 433 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 434 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 435 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 436 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 437 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 438 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 439 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 440 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 441 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 442 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 443 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 444 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 445 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 446 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 447 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 448 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 449 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 450 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 451 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 452 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 453 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 454 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 455 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 456 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 457 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 458 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 459 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 460 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 461 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 462 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 467 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 468 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 469 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 470 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 471 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 472 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 473 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 474 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 475 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 480 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 481 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 482 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 483 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 484 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 485 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 486 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 487 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 492 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 493 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 494 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 495 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 496 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 497 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 498 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 499 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 500 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 501 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 502 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 503 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 504 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 505 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 506 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 507 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 508 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 509 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 510 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 511 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 512 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 513 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 514 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 515 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 516 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 517 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 518 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 519 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 520 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 521 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 522 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 523 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 524 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 525 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 526 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 527 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 528 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 529 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 530 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 531 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 532 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 533 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 534 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 535 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 536 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 537 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 538 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 539 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 540 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 541 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 542 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 543 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 544 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 545 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 546 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 547 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 548 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 549 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 550 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 551 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 552 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 553 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 554 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 555 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 556 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 557 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 558 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 559 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 560 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 561 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 562 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 563 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 564 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 565 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 566 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 567 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 568 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 569 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 570 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 571 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 572 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 573 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 574 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 578 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 579 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 580 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 581 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 582 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo157_s20.cif b/soup/screen/mmcifs/denovo157_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..720a1f44bb804f876b4e01cc4b816202b6ca53fb --- /dev/null +++ b/soup/screen/mmcifs/denovo157_s20.cif @@ -0,0 +1,566 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 18 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 19 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 20 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 25 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 26 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 27 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 32 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 33 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 34 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 35 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 36 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 37 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 38 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 39 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 40 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 41 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 42 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 43 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 44 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 45 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 46 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 47 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 48 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 49 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 50 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 51 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 52 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 53 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 54 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 55 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 56 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 57 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 58 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 59 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 60 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 61 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 62 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 63 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 64 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 65 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 66 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 67 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 68 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 69 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 70 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 71 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 72 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 73 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 74 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 75 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 76 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 77 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 78 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 79 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 80 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 81 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 82 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 83 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 84 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 85 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 86 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 87 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 88 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 89 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 90 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 91 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 92 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 93 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 94 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 95 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 96 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 97 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 98 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 99 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 100 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 101 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 102 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 103 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 104 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 105 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 106 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 107 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 108 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 109 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 110 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 111 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 112 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 113 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 114 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 115 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 116 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 117 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 118 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 119 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 120 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 121 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 122 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 123 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 124 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 125 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 126 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 127 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 128 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 129 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 130 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 131 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 132 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 133 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 134 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 135 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 136 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 137 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 138 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 139 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 140 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 141 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 142 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 143 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 144 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 145 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 146 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 147 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 148 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 149 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 150 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 151 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 152 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 153 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 154 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 155 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 156 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 157 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 158 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 159 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 160 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 161 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 162 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 163 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 164 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 165 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 166 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 167 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 168 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 169 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 170 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 171 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 172 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 173 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 174 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 175 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 176 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 177 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 178 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 179 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 180 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 181 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 182 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 183 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 184 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 185 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 186 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 187 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 188 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 189 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 190 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 191 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 192 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 193 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 194 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 195 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 196 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 197 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 198 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 199 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 200 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 201 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 202 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 203 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 204 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 205 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 206 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 207 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 208 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 209 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 210 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 211 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 212 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 213 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 214 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 215 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 216 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 217 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 218 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 219 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 220 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 221 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 222 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 223 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 224 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 225 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 226 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 227 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 228 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 229 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 230 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 231 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 232 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 233 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 234 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 235 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 236 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 237 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 238 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 239 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 240 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 241 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 242 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 243 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 244 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 245 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 246 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 247 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 248 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 249 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 250 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 251 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 252 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 253 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 254 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 255 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 256 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 257 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 258 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 259 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 260 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 261 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 262 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 263 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 264 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 265 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 266 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 267 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 268 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 269 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 270 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 271 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 272 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 273 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 274 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 275 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 276 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 277 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 278 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 279 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 280 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 281 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 282 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 283 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 284 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 285 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 286 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 287 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 288 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 289 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 290 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 291 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 292 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 293 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 294 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 295 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 296 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 297 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 298 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 299 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 300 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 301 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 302 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 303 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 304 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 305 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 306 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 307 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 308 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 309 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 310 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 311 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 312 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 313 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 314 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 315 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 316 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 317 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 318 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 319 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 320 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 321 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 322 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 323 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 324 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 325 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 326 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 327 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 328 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 329 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 330 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 331 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 332 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 333 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 334 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 335 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 336 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 337 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 338 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 339 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 340 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 341 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 342 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 343 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 344 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 345 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 346 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 347 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 348 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 349 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 350 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 351 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 352 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 353 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 354 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 355 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 356 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 357 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 358 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 359 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 360 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 361 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 362 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 363 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 364 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 365 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 366 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 367 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 368 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 369 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 370 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 371 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 372 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 373 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 374 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 375 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 376 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 377 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 378 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 379 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 380 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 381 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 382 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 383 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 384 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 385 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 386 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 387 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 388 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 389 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 390 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 391 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 392 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 393 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 394 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 395 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 396 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 397 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 398 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 399 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 400 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 401 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 402 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 403 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 404 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 405 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 406 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 407 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 408 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 409 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 410 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 411 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 412 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 413 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 414 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 415 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 416 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 417 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 418 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 419 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 420 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 421 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 422 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 423 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 424 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 425 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 426 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 427 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 428 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 429 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 430 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 431 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 432 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 433 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 434 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 435 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 436 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 437 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 438 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 439 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 440 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 441 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 442 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 443 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 444 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 445 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 446 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 447 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 448 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 449 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 450 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 451 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 452 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 453 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 454 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 455 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 456 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 457 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 458 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 459 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 460 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 461 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 462 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 463 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 464 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 465 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 466 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 467 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 468 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 469 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 470 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 471 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 472 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 473 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 474 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 475 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 476 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 477 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 478 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 479 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 480 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 481 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 482 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 483 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 484 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 485 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 486 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 487 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 488 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 489 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 490 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 491 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 492 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 493 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 494 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 495 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 496 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 497 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 498 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 499 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 500 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 501 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 502 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 503 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 504 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 505 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 506 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 507 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 508 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 509 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 510 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 511 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 512 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 513 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 514 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 515 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 516 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 517 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 518 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 519 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 520 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 521 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 522 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 523 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 524 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 525 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 526 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 527 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 528 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 529 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 530 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 531 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 532 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 533 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 534 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 535 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 536 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 537 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 538 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 539 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 540 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 541 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 542 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 543 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 544 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 545 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 546 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 547 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 548 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 549 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 550 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo158_s20.cif b/soup/screen/mmcifs/denovo158_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e93d0b27bcb1037d1c1c28a70d8b1633df914f00 --- /dev/null +++ b/soup/screen/mmcifs/denovo158_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 17 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 18 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 19 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 20 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 25 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 26 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 27 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 32 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 33 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 34 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 35 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 36 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 37 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 38 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 43 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 44 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 45 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 46 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 47 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 52 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 53 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 54 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 55 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 56 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 57 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 58 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 59 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 60 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 61 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 62 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 63 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 64 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 65 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 74 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 75 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 80 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 81 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 82 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 83 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 84 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 89 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 90 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 91 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 96 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 97 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 98 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 103 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 104 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 105 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 110 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 111 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 112 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 113 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 114 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 115 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 116 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 117 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 118 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 119 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 120 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 121 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 122 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 123 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 124 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 125 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 126 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 127 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 128 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 129 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 130 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 131 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 132 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 133 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 134 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 135 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 136 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 137 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 138 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 139 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 140 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 141 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 142 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 143 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 148 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 149 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 154 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 155 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 156 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 157 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 158 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 159 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 160 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 161 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 162 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 163 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 164 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 165 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 166 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 167 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 168 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 169 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 174 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 175 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 176 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 177 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 178 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 179 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 180 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 181 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 182 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 183 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 184 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 185 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 186 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 187 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 188 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 193 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 194 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 195 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 196 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 197 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 198 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 199 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 200 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 201 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 202 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 203 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 204 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 205 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 206 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 207 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 208 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 209 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 210 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 211 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 212 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 213 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 214 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 215 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 216 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 217 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 218 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 219 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 220 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 221 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 222 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 223 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 224 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 225 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 226 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 227 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 228 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 229 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 230 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 231 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 232 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 233 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 234 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 235 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 236 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 237 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 238 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 239 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 240 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 241 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 242 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 243 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 244 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 245 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 246 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 247 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 248 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 249 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 250 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 251 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 252 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 253 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 254 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 255 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 256 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 257 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 258 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 259 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 260 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 261 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 262 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 263 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 264 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 265 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 266 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 267 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 268 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 269 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 270 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 271 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 272 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 273 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 274 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 275 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 276 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 277 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 278 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 279 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 284 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 285 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 286 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 287 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 288 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 289 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 290 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 291 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 292 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 293 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 294 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 295 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 296 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 297 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 298 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 299 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 300 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 301 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 302 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 303 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 304 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 305 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 306 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 307 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 308 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 309 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 310 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 311 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 312 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 313 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 314 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 315 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 316 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 317 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 318 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 319 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 324 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 325 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 326 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 327 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 328 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 329 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 330 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 331 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 332 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 333 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 334 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 335 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 336 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 337 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 338 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 339 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 340 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 341 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 342 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 343 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 344 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 345 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 346 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 347 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 348 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 349 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 350 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 351 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 352 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 353 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 354 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 355 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 356 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 357 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 358 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 359 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 360 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 361 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 362 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 363 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 364 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 365 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 366 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 367 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 368 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 369 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 370 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 371 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 372 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 373 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 374 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 375 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 376 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 377 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 378 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 379 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 380 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 381 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 382 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 383 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 384 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 385 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 386 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 387 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 388 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 389 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 390 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 391 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 392 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 393 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 394 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 395 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 396 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 397 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 398 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 399 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 400 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 401 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 402 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 403 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 404 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 405 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 406 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 407 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 408 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 409 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 410 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 411 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 412 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 413 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 418 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 419 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 420 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 421 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 422 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 423 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 424 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 425 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 426 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 427 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 428 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 429 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 430 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 431 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 432 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 433 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 434 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 435 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 436 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 437 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 438 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 439 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 440 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 441 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 442 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 443 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 444 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 445 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 446 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 447 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 448 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 449 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 450 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 451 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 452 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 453 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 454 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 455 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 456 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 457 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 458 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 459 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 460 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 461 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 462 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 463 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 464 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 465 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 466 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 467 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 468 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 469 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 470 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 471 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 472 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 473 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 474 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 475 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 476 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 481 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 482 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 483 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 484 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 485 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 486 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 487 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 488 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 489 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 490 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 491 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 492 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 493 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 494 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 495 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 496 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 497 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 498 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 499 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 500 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 501 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 502 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 503 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 504 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 505 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 506 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 507 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 508 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 509 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 510 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 511 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 512 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 513 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 514 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 515 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 516 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 517 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 518 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 519 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 520 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 521 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 522 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 523 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 524 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 525 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 526 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 527 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 528 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 529 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 530 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 531 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 532 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 533 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 534 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 535 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 536 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 537 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 538 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 539 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 540 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 541 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 542 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 543 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 548 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 549 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 550 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 551 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 552 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 553 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 554 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 555 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 556 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 557 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 558 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 559 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 560 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 561 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 562 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 563 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 564 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 565 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 566 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 567 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 568 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 569 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 570 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 571 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 572 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 573 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 574 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 575 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 576 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 577 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo159_s20.cif b/soup/screen/mmcifs/denovo159_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..103fbcf313c756cc70db90fc520bd822da659c61 --- /dev/null +++ b/soup/screen/mmcifs/denovo159_s20.cif @@ -0,0 +1,572 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 11 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 12 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 13 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 18 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 19 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 20 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 21 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 22 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 27 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 28 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 29 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 34 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 35 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 36 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 37 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 38 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 47 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 48 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 49 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 50 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 51 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 56 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 57 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 58 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 67 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 68 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 69 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 70 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 71 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 72 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 73 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 78 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 79 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 84 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 89 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 90 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 91 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 96 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 97 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 98 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 99 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 100 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 105 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 106 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 107 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 108 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 113 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 118 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 119 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 120 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 125 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 126 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 127 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 132 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 133 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 134 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 139 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 140 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 141 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 142 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 143 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 148 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 149 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 150 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 151 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 152 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 157 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 158 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 159 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 160 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 161 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 162 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 163 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 164 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 165 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 166 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 167 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 168 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 169 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 170 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 171 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 172 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 173 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 174 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 175 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 176 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 181 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 182 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 183 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 184 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 185 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 186 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 187 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 188 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 189 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 190 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 191 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 192 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 193 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 194 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 195 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 196 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 197 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 198 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 199 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 200 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 205 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 206 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 207 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 212 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 213 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 214 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 215 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 216 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 217 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 218 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 219 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 220 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 221 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 222 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 223 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 224 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 225 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 226 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 227 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 228 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 229 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 230 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 231 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 232 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 233 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 234 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 235 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 236 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 237 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 238 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 239 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 240 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 241 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 242 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 243 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 244 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 245 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 246 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 247 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 248 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 249 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 250 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 251 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 252 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 253 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 254 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 255 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 256 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 257 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 258 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 259 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 264 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 265 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 266 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 267 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 268 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 269 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 270 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 271 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 272 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 273 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 274 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 275 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 276 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 281 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 282 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 283 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 284 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 285 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 286 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 287 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 288 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 289 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 290 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 291 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 292 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 293 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 294 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 295 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 296 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 297 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 298 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 299 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 300 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 301 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 302 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 303 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 304 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 305 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 306 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 307 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 308 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 309 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 314 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 315 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 316 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 317 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 318 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 319 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 320 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 321 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 322 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 323 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 324 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 325 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 326 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 327 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 328 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 329 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 330 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 331 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 332 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 333 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 334 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 335 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 336 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 337 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 338 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 339 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 340 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 341 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 342 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 343 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 344 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 345 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 346 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 347 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 348 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 349 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 350 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 351 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 352 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 353 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 354 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 359 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 360 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 361 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 362 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 363 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 364 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 365 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 366 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 367 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 368 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 369 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 370 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 371 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 372 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 373 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 374 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 379 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 380 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 381 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 382 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 383 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 388 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 389 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 390 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 391 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 392 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 393 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 394 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 395 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 396 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 401 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 402 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 403 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 408 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 409 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 410 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 411 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 412 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 413 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 418 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 419 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 420 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 421 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 422 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 423 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 424 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 425 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 426 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 427 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 428 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 429 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 430 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 431 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 432 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 433 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 434 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 435 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 436 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 437 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 438 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 439 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 440 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 441 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 442 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 443 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 444 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 445 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 446 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 447 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 448 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 449 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 450 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 451 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 452 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 453 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 454 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 455 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 456 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 457 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 458 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 459 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 460 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 461 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 462 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 463 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 464 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 465 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 466 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 467 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 468 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 469 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 470 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 471 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 472 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 473 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 474 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 475 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 476 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 477 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 478 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 479 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 480 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 481 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 482 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 483 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 484 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 485 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 486 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 487 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 488 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 489 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 490 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 491 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 492 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 493 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 494 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 495 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 496 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 497 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 498 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 503 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 504 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 505 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 506 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 507 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 508 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 509 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 510 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 511 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 512 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 513 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 514 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 515 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 516 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 517 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 518 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 519 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 520 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 521 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 522 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 523 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 524 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 525 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 526 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 527 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 528 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 529 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 530 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 531 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 532 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 533 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 534 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 535 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 536 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 537 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 538 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 539 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 540 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 541 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 542 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 543 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 544 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 545 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 546 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 547 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 548 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 549 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 550 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 551 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 552 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 553 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 554 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 555 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 556 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo15_s20.cif b/soup/screen/mmcifs/denovo15_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e7b861f03e68bcd781766ad8ada62f3fed81bc37 --- /dev/null +++ b/soup/screen/mmcifs/denovo15_s20.cif @@ -0,0 +1,584 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 15 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 16 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 17 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 22 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 27 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 28 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 29 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 30 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 31 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 32 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 33 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 38 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 39 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 40 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 41 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 42 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 47 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 48 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 49 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 50 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 55 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 56 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 57 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 58 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 59 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 60 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 61 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 62 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 63 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 64 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 65 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 66 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 71 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 72 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 73 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 74 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 75 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 76 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 77 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 78 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 79 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 80 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 85 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 86 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 87 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 88 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 89 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 90 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 91 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 92 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 93 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 94 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 95 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 100 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 101 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 102 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 103 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 104 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 105 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 106 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 107 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 108 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 109 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 110 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 111 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 116 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 117 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 118 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 119 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 120 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 121 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 122 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 123 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 124 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 125 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 126 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 127 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 128 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 129 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 130 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 131 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 132 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 133 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 142 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 143 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 144 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 145 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 146 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 147 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 148 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 149 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 150 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 151 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 152 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 153 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 158 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 159 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 160 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 161 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 162 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 163 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 164 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 165 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 166 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 167 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 172 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 173 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 174 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 179 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 184 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 185 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 186 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 187 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 188 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 189 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 190 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 191 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 192 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 193 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 198 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 199 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 204 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 205 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 206 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 207 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 208 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 209 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 210 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 211 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 212 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 213 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 214 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 215 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 216 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 217 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 218 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 219 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 220 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 221 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 222 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 223 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 224 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 225 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 230 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 231 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 232 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 237 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 242 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 243 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 248 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 249 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 250 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 251 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 252 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 253 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 254 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 255 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 256 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 257 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 258 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 259 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 260 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 261 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 262 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 263 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 264 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 265 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 266 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 267 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 268 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 269 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 270 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 271 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 272 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 273 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 274 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 275 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 276 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 277 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 278 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 279 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 280 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 281 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 282 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 283 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 284 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 285 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 286 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 287 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 288 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 289 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 290 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 291 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 292 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 293 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 294 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 295 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 296 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 297 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 298 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 299 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 300 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 301 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 302 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 303 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 304 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 305 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 306 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 307 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 308 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 309 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 310 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 311 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 312 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 313 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 314 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 315 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 316 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 317 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 318 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 319 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 320 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 321 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 322 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 323 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 324 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 325 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 326 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 327 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 328 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 329 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 330 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 331 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 332 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 333 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 334 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 335 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 336 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 337 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 338 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 339 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 340 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 341 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 342 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 343 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 344 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 345 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 346 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 347 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 348 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 349 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 350 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 351 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 352 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 353 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 354 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 355 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 356 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 357 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 358 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 359 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 360 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 361 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 362 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 363 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 364 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 365 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 366 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 367 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 368 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 369 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 370 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 371 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 372 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 373 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 374 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 375 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 376 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 377 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 378 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 379 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 380 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 381 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 382 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 383 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 384 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 385 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 386 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 387 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 388 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 389 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 390 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 391 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 392 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 393 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 394 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 395 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 396 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 397 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 398 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 399 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 400 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 401 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 402 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 407 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 408 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 409 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 410 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 411 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 412 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 413 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 414 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 415 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 416 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 417 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 418 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 419 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 420 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 421 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 422 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 423 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 424 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 425 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 426 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 427 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 428 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 429 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 430 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 431 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 432 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 433 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 434 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 435 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 436 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 437 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 438 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 443 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 444 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 445 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 446 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 447 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 448 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 449 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 450 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 451 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 452 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 453 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 454 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 455 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 456 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 457 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 458 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 459 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 460 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 461 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 462 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 463 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 464 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 465 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 466 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 467 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 468 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 469 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 470 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 471 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 472 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 473 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 474 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 475 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 476 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 477 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 478 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 479 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 480 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 481 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 482 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 483 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 484 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 485 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 486 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 487 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 488 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 489 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 490 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 491 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 492 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 493 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 494 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 495 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 496 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 497 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 498 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 499 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 500 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 501 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 502 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 503 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 504 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 505 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 506 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 507 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 508 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 509 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 510 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 511 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 512 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 513 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 514 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 515 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 516 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 517 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 518 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 519 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 520 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 521 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 522 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 523 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 524 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 525 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 526 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 527 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 528 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 529 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 530 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 531 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 532 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 533 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 534 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 535 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 536 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 537 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 538 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 539 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 540 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 541 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 542 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 543 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 544 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 545 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 546 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 547 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 548 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 549 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 550 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 551 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 552 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 553 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 554 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 555 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 556 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 557 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 558 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 559 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 560 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 561 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 562 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 563 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 564 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 565 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 566 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 567 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 568 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo160_s20.cif b/soup/screen/mmcifs/denovo160_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6e1eff16448febbdc25054f77801f5eebdbbbd56 --- /dev/null +++ b/soup/screen/mmcifs/denovo160_s20.cif @@ -0,0 +1,624 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 11 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 12 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 17 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 18 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 19 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 24 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 25 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 26 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 31 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 32 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 33 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 34 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 35 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 40 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 41 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 42 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 43 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 44 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 45 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 46 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 51 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 52 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 53 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 54 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 55 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 56 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 57 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 62 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 63 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 64 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 65 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 66 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 67 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 68 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 69 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 70 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 71 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 72 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 73 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 74 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 75 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 76 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 77 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 78 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 79 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 80 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 81 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 82 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 83 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 84 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 85 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 86 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 87 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 88 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 89 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 90 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 95 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 100 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 101 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 102 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 103 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 104 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 105 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 106 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 107 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 108 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 109 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 110 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 111 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 116 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 117 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 118 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 119 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 120 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 121 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 122 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 123 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 124 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 125 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 126 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 127 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 128 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 129 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 130 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 131 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 132 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 133 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 134 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 135 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 136 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 137 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 138 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 139 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 140 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 141 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 142 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 147 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 148 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 149 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 150 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 151 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 152 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 153 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 154 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 155 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 156 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 157 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 158 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 159 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 160 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 161 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 162 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 163 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 164 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 165 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 166 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 167 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 168 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 169 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 174 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 175 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 176 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 177 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 178 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 179 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 180 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 181 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 182 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 183 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 184 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 185 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 186 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 187 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 192 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 193 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 194 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 195 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 200 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 201 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 202 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 203 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 204 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 205 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 206 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 207 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 208 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 209 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 210 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 211 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 212 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 213 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 214 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 215 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 216 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 217 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 218 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 219 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 220 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 221 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 222 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 223 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 224 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 225 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 226 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 227 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 228 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 229 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 230 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 231 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 232 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 233 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 234 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 235 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 236 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 237 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 238 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 239 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 240 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 241 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 242 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 243 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 244 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 245 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 246 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 247 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 248 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 249 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 250 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 251 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 252 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 253 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 254 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 255 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 256 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 257 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 258 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 259 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 260 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 261 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 262 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 263 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 264 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 265 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 266 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 267 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 268 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 269 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 270 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 271 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 272 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 273 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 274 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 275 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 276 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 277 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 278 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 279 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 280 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 281 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 282 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 283 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 284 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 285 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 286 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 287 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 288 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 289 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 290 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 291 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 292 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 293 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 294 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 295 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 296 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 297 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 298 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 299 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 300 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 301 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 302 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 303 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 304 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 305 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 306 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 307 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 308 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 309 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 310 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 311 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 312 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 313 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 314 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 315 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 316 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 317 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 318 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 319 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 320 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 321 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 322 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 323 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 324 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 325 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 326 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 327 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 328 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 329 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 330 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 331 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 332 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 333 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 334 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 335 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 336 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 337 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 342 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 343 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 344 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 345 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 346 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 347 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 348 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 349 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 350 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 351 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 352 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 353 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 354 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 355 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 356 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 357 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 358 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 359 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 360 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 361 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 362 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 363 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 364 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 365 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 366 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 367 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 368 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 369 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 370 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 371 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 372 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 373 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 374 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 375 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 376 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 377 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 378 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 379 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 380 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 381 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 382 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 383 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 384 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 385 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 386 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 387 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 388 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 389 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 390 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 391 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 392 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 393 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 394 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 395 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 396 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 397 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 398 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 399 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 400 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 401 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 402 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 403 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 404 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 405 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 406 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 407 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 408 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 409 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 410 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 411 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 412 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 413 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 414 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 415 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 416 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 417 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 418 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 419 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 420 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 421 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 422 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 423 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 424 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 425 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 426 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 427 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 428 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 429 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 430 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 431 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 432 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 433 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 434 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 435 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 436 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 437 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 438 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 443 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 444 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 445 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 446 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 447 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 448 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 449 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 450 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 451 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 452 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 453 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 454 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 455 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 456 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 457 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 458 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 459 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 460 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 461 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 462 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 463 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 464 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 465 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 466 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 467 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 468 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 469 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 470 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 471 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 472 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 473 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 474 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 475 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 476 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 477 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 478 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 479 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 480 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 481 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 482 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 483 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 484 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 485 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 486 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 487 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 488 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 489 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 490 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 491 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 492 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 493 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 494 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 495 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 496 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 497 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 498 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 499 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 500 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 501 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 502 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 503 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 504 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 505 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 506 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 507 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 508 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 509 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 510 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 511 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 512 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 513 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 514 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 515 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 516 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 517 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 518 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 519 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 520 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 521 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 522 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 523 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 524 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 525 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 526 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 527 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 528 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 529 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 530 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 531 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 532 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 533 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 534 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 535 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 536 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 537 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 538 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 539 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 540 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 541 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 542 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 543 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 544 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 545 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 546 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 547 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 548 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 549 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 550 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 551 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 552 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 553 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 554 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 555 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 556 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 557 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 558 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 559 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 560 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 561 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 562 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 563 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 564 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 565 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 566 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 567 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 568 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 569 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 570 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 571 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 572 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 573 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 574 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 575 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 576 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 577 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 578 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 579 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 580 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 581 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 582 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 583 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 584 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 585 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 586 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 587 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 588 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 589 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 590 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 591 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 592 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 593 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 594 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 595 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 596 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 597 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 598 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 599 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 600 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 601 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 602 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 603 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 604 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 605 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 606 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 607 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 608 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo161_s20.cif b/soup/screen/mmcifs/denovo161_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c8cf0d3be04a4fa206f49582fac86ab6425e602d --- /dev/null +++ b/soup/screen/mmcifs/denovo161_s20.cif @@ -0,0 +1,602 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 10 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 11 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 12 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 13 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 14 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 19 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 24 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 25 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 26 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 27 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 28 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 33 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 34 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 35 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 40 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 41 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 42 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 43 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 44 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 45 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 46 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 51 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 52 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 53 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 62 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 63 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 64 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 69 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 70 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 71 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 72 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 73 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 74 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 75 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 76 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 77 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 78 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 83 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 84 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 85 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 86 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 87 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 92 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 93 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 94 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 95 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 96 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 97 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 98 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 99 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 100 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 101 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 102 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 103 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 104 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 105 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 106 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 107 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 108 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 109 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 110 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 111 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 116 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 117 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 118 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 119 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 120 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 121 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 122 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 127 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 128 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 133 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 134 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 135 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 136 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 137 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 138 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 139 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 140 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 141 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 142 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 143 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 148 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 149 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 150 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 151 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 152 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 153 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 154 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 155 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 156 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 157 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 158 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 159 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 160 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 161 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 162 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 163 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 168 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 169 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 170 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 171 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 172 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 173 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 174 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 175 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 176 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 177 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 178 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 179 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 184 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 185 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 186 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 187 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 188 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 189 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 190 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 191 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 192 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 193 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 194 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 195 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 196 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 197 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 198 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 199 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 200 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 201 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 202 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 203 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 204 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 205 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 206 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 207 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 208 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 209 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 210 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 211 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 212 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 213 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 214 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 215 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 216 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 217 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 218 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 219 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 220 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 221 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 222 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 223 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 224 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 225 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 226 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 227 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 232 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 233 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 234 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 243 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 244 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 245 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 246 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 247 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 252 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 253 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 254 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 255 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 256 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 257 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 258 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 259 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 260 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 261 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 262 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 263 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 264 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 265 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 266 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 267 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 268 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 269 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 270 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 271 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 272 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 273 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 274 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 275 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 276 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 277 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 278 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 279 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 280 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 281 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 282 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 283 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 284 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 285 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 286 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 287 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 288 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 289 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 290 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 291 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 292 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 293 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 294 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 299 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 300 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 301 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 302 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 303 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 304 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 305 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 306 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 307 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 308 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 309 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 310 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 311 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 312 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 313 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 314 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 315 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 316 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 317 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 318 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 319 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 320 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 321 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 322 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 323 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 324 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 325 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 326 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 327 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 328 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 329 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 330 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 331 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 332 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 333 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 334 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 335 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 336 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 337 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 338 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 339 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 340 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 341 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 342 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 343 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 344 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 345 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 346 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 347 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 348 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 349 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 350 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 351 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 352 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 353 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 354 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 355 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 356 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 357 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 362 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 363 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 364 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 369 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 370 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 371 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 372 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 373 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 374 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 375 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 376 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 377 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 378 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 379 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 380 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 381 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 382 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 383 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 384 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 389 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 390 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 391 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 392 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 393 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 398 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 399 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 400 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 401 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 402 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 403 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 404 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 405 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 406 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 407 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 408 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 409 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 410 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 411 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 412 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 413 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 414 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 415 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 416 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 417 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 418 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 419 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 420 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 421 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 422 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 423 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 424 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 425 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 426 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 427 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 428 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 429 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 430 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 431 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 432 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 433 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 434 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 435 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 436 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 437 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 438 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 439 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 440 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 441 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 442 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 443 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 444 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 445 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 446 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 447 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 448 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 449 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 450 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 451 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 452 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 453 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 454 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 455 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 456 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 457 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 458 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 459 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 460 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 461 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 462 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 463 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 464 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 465 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 466 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 467 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 468 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 469 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 470 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 471 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 472 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 473 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 478 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 479 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 480 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 481 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 482 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 483 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 484 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 485 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 486 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 487 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 488 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 489 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 490 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 491 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 492 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 493 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 494 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 495 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 496 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 497 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 498 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 499 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 500 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 501 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 502 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 503 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 504 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 505 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 506 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 507 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 508 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 509 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 510 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 511 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 512 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 513 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 514 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 515 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 516 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 517 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 518 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 519 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 520 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 521 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 522 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 523 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 524 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 525 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 526 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 527 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 528 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 529 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 530 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 531 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 532 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 533 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 534 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 535 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 536 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 537 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 538 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 539 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 540 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 541 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 542 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 543 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 544 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 545 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 546 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 547 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 548 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 549 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 550 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 551 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 552 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 553 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 554 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 555 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 556 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 557 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 558 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 559 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 560 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 561 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 562 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 563 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 564 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 565 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 566 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 567 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 568 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 569 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 570 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 571 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 572 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 573 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 574 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 575 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 576 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 577 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 578 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 579 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 580 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 581 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 582 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 583 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 584 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 585 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 586 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo162_s20.cif b/soup/screen/mmcifs/denovo162_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..9adecbafc19f99c375b25e055b5d5d5f64c8b73d --- /dev/null +++ b/soup/screen/mmcifs/denovo162_s20.cif @@ -0,0 +1,621 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 12 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 13 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 14 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 15 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 16 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 17 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 18 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 23 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 24 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 25 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 26 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 27 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 28 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 29 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 30 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 31 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 32 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 33 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 34 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 35 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 40 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 41 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 42 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 47 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 48 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 49 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 50 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 59 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 60 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 61 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 62 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 67 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 68 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 69 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 70 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 71 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 72 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 73 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 74 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 75 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 76 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 81 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 82 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 83 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 84 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 85 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 86 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 87 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 88 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 89 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 90 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 91 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 96 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 97 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 98 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 103 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 104 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 105 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 106 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 107 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 108 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 109 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 110 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 111 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 112 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 113 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 114 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 115 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 124 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 125 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 126 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 127 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 128 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 133 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 134 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 135 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 136 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 137 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 138 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 139 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 140 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 141 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 142 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 147 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 148 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 149 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 154 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 155 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 156 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 157 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 158 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 159 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 160 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 161 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 162 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 163 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 168 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 169 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 170 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 171 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 172 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 177 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 178 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 179 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 184 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 185 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 194 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 195 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 196 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 197 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 198 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 199 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 200 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 201 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 206 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 207 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 212 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 213 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 214 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 215 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 216 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 217 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 218 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 219 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 220 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 221 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 222 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 223 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 224 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 229 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 230 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 231 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 232 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 233 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 234 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 235 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 236 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 237 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 238 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 239 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 240 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 245 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 246 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 247 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 252 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 253 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 254 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 255 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 256 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 257 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 258 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 259 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 260 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 261 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 262 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 263 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 264 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 265 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 266 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 267 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 268 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 269 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 274 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 275 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 276 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 277 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 278 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 279 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 280 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 281 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 282 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 283 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 284 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 285 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 286 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 287 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 288 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 289 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 290 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 291 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 292 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 293 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 294 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 295 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 296 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 297 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 298 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 299 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 300 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 301 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 302 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 303 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 304 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 305 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 306 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 307 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 308 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 309 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 310 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 311 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 312 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 313 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 314 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 315 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 316 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 317 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 318 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 319 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 320 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 321 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 322 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 323 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 328 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 329 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 330 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 331 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 332 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 333 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 334 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 335 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 336 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 337 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 338 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 339 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 340 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 341 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 342 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 343 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 344 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 345 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 346 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 347 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 348 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 349 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 350 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 351 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 352 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 353 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 354 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 355 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 356 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 357 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 358 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 359 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 360 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 361 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 362 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 363 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 364 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 365 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 366 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 367 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 368 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 369 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 370 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 371 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 372 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 373 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 374 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 375 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 376 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 377 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 378 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 379 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 380 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 381 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 382 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 383 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 384 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 385 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 386 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 387 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 388 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 389 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 390 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 391 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 392 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 393 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 394 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 395 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 396 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 397 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 398 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 399 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 400 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 401 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 402 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 403 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 404 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 405 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 406 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 407 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 408 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 409 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 410 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 411 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 412 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 413 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 414 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 415 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 416 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 417 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 418 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 419 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 420 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 421 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 422 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 423 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 424 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 425 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 426 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 427 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 428 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 429 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 430 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 431 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 432 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 433 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 434 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 435 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 436 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 437 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 438 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 439 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 440 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 441 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 442 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 443 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 444 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 445 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 446 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 447 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 448 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 449 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 450 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 451 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 452 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 453 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 454 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 455 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 456 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 457 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 458 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 459 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 460 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 461 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 462 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 463 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 464 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 465 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 466 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 467 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 468 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 469 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 470 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 471 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 472 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 473 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 474 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 475 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 476 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 477 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 478 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 479 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 480 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 481 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 482 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 483 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 484 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 485 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 486 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 487 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 488 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 489 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 490 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 491 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 492 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 493 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 494 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 495 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 496 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 497 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 498 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 499 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 500 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 501 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 502 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 503 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 504 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 505 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 506 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 507 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 508 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 509 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 510 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 511 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 512 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 513 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 514 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 515 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 516 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 517 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 518 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 519 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 520 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 521 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 522 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 523 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 524 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 525 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 526 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 527 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 528 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 529 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 530 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 531 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 532 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 533 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 534 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 535 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 536 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 537 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 538 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 539 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 540 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 541 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 542 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 543 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 544 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 545 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 546 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 547 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 548 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 549 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 550 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 551 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 552 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 553 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 554 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 555 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 556 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 557 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 558 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 559 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 560 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 561 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 562 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 563 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 564 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 565 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 566 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 567 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 568 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 569 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 570 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 571 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 572 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 573 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 574 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 575 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 576 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 577 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 578 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 579 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 580 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 581 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 582 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 583 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 584 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 585 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 586 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 587 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 588 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 589 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 590 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 591 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 592 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 593 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 594 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 595 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 596 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 597 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 598 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 599 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 600 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 601 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 602 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 603 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 604 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 605 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo163_s20.cif b/soup/screen/mmcifs/denovo163_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d637c11eb9c8f662b4e67a0401577166dc4cc3fa --- /dev/null +++ b/soup/screen/mmcifs/denovo163_s20.cif @@ -0,0 +1,604 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 10 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 11 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 12 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 17 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 18 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 19 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 24 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 25 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 26 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 27 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 28 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 33 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 34 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 35 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 40 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 41 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 46 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 47 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 48 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 49 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 50 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 55 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 56 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 57 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 58 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 63 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 64 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 69 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 74 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 75 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 76 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 77 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 78 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 79 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 80 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 81 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 82 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 83 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 84 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 85 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 86 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 87 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 88 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 89 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 90 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 91 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 96 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 97 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 98 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 99 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 100 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 105 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 106 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 111 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 116 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 117 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 118 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 119 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 120 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 121 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 122 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 123 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 124 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 125 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 126 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 131 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 132 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 133 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 134 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 135 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 136 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 137 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 138 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 139 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 140 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 141 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 142 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 143 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 144 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 145 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 146 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 147 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 148 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 149 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 150 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 151 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 152 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 153 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 154 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 155 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 156 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 157 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 162 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 163 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 164 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 165 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 166 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 167 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 168 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 169 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 170 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 171 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 172 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 173 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 174 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 175 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 176 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 177 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 178 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 179 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 180 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 181 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 186 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 187 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 188 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 189 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 190 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 191 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 192 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 193 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 194 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 195 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 196 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 197 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 198 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 199 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 200 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 201 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 202 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 203 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 204 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 205 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 206 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 207 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 208 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 209 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 210 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 211 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 212 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 213 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 214 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 215 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 216 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 221 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 222 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 223 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 224 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 225 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 226 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 227 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 228 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 229 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 230 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 235 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 236 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 237 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 242 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 243 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 244 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 245 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 246 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 247 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 248 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 249 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 254 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 255 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 256 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 257 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 258 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 259 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 260 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 261 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 262 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 263 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 264 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 265 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 266 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 267 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 268 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 269 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 270 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 271 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 272 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 273 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 274 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 275 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 276 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 277 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 278 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 279 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 280 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 281 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 282 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 283 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 288 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 289 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 290 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 291 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 292 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 297 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 298 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 303 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 304 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 305 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 310 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 311 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 312 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 313 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 314 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 315 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 316 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 317 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 318 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 319 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 320 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 321 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 326 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 327 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 328 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 329 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 330 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 335 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 336 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 337 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 338 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 343 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 344 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 345 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 346 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 347 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 348 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 349 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 350 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 351 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 352 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 353 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 354 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 355 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 356 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 357 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 358 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 359 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 360 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 361 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 362 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 363 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 364 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 369 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 370 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 371 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 372 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 373 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 378 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 379 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 380 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 381 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 382 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 383 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 384 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 385 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 386 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 387 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 388 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 389 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 390 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 391 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 392 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 393 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 394 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 395 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 396 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 397 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 398 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 399 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 404 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 405 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 406 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 407 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 408 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 409 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 410 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 411 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 412 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 413 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 414 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 415 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 416 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 417 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 418 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 419 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 420 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 421 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 422 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 423 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 424 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 425 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 426 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 427 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 428 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 429 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 430 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 431 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 432 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 433 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 434 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 435 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 436 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 437 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 438 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 439 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 440 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 441 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 442 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 443 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 444 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 445 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 446 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 447 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 448 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 449 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 450 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 451 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 452 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 453 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 454 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 455 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 456 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 457 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 458 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 459 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 460 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 461 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 462 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 463 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 464 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 465 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 466 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 467 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 468 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 469 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 470 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 471 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 472 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 473 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 474 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 475 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 476 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 477 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 478 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 479 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 480 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 481 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 482 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 483 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 484 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 485 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 486 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 487 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 488 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 489 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 490 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 491 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 492 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 493 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 494 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 495 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 496 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 497 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 498 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 499 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 500 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 501 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 502 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 503 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 504 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 505 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 506 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 507 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 508 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 509 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 510 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 511 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 512 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 513 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 514 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 515 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 516 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 517 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 518 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 519 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 520 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 521 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 522 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 523 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 524 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 525 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 526 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 527 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 528 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 529 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 530 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 531 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 532 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 533 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 534 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 535 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 536 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 537 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 538 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 539 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 540 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 541 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 542 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 543 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 544 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 545 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 546 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 547 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 548 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 549 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 550 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 551 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 552 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 553 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 554 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 555 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 556 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 557 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 558 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 559 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 560 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 561 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 562 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 563 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 564 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 565 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 566 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 567 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 568 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 569 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 570 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 571 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 572 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 573 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 574 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 575 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 576 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 577 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 578 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 579 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 580 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 581 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 582 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 583 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 584 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 585 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 586 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 587 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 588 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo164_s20.cif b/soup/screen/mmcifs/denovo164_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..a25ef6d422a2b2d3594651ae188a706b7a28cad8 --- /dev/null +++ b/soup/screen/mmcifs/denovo164_s20.cif @@ -0,0 +1,594 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 20 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 25 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 26 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 27 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 28 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 29 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 30 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 31 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 32 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 33 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 38 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 39 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 40 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 41 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 42 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 43 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 44 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 45 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 46 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 47 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 48 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 49 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 50 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 51 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 52 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 53 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 54 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 55 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 56 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 57 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 58 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 59 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 60 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 61 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 62 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 67 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 68 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 69 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 70 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 71 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 72 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 73 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 74 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 75 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 76 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 77 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 78 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 79 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 80 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 81 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 82 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 83 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 84 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 85 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 86 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 87 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 88 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 89 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 90 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 95 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 96 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 97 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 102 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 103 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 104 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 109 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 110 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 111 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 116 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 117 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 118 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 119 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 120 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 125 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 126 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 127 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 128 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 129 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 130 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 131 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 136 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 137 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 142 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 147 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 148 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 149 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 150 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 151 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 152 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 153 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 154 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 155 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 156 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 157 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 158 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 159 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 160 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 161 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 162 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 163 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 164 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 165 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 166 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 167 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 168 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 169 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 170 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 171 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 172 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 173 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 174 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 175 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 176 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 181 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 182 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 183 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 184 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 185 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 190 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 191 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 192 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 197 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 198 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 199 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 200 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 201 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 202 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 203 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 204 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 205 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 206 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 207 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 208 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 209 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 210 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 211 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 212 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 213 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 214 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 215 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 216 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 217 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 218 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 219 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 220 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 221 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 222 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 223 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 224 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 225 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 226 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 227 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 228 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 229 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 230 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 231 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 232 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 233 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 234 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 235 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 236 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 237 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 238 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 239 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 240 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 241 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 242 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 243 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 244 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 245 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 246 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 247 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 248 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 249 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 250 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 251 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 252 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 253 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 254 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 255 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 256 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 257 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 258 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 259 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 260 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 261 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 262 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 263 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 264 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 265 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 266 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 267 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 268 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 269 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 270 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 271 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 272 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 273 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 274 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 275 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 276 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 277 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 278 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 279 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 280 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 281 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 282 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 283 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 284 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 285 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 286 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 287 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 288 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 289 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 290 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 291 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 292 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 293 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 294 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 295 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 296 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 297 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 298 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 299 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 300 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 301 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 302 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 303 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 304 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 305 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 310 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 311 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 312 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 313 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 314 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 315 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 316 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 317 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 318 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 319 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 320 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 321 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 322 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 323 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 324 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 325 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 326 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 327 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 328 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 329 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 330 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 331 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 332 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 333 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 334 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 335 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 336 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 337 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 338 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 339 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 340 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 341 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 342 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 343 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 344 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 345 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 346 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 347 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 348 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 349 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 350 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 351 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 352 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 353 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 354 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 355 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 356 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 357 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 358 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 359 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 360 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 361 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 362 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 363 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 364 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 365 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 366 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 367 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 368 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 369 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 370 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 371 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 372 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 373 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 374 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 375 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 376 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 377 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 378 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 379 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 380 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 381 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 382 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 383 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 384 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 385 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 386 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 387 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 388 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 389 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 390 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 391 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 392 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 393 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 394 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 399 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 400 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 401 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 402 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 403 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 404 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 405 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 406 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 407 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 408 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 409 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 410 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 411 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 412 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 413 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 414 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 415 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 416 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 417 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 418 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 419 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 420 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 421 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 422 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 423 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 424 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 425 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 426 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 427 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 428 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 429 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 430 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 431 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 432 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 433 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 434 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 435 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 436 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 437 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 438 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 439 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 440 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 441 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 442 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 443 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 444 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 445 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 446 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 447 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 448 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 449 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 450 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 451 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 452 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 453 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 454 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 455 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 456 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 457 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 458 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 459 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 460 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 461 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 462 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 463 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 464 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 465 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 466 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 467 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 468 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 469 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 470 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 471 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 472 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 473 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 474 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 475 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 476 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 477 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 478 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 479 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 480 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 481 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 482 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 483 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 484 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 485 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 486 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 487 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 488 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 489 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 490 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 491 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 492 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 493 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 494 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 495 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 496 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 497 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 498 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 499 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 500 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 501 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 502 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 503 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 504 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 505 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 506 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 507 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 508 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 509 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 510 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 511 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 512 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 513 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 514 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 515 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 516 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 517 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 518 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 519 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 520 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 521 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 522 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 523 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 524 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 525 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 526 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 527 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 528 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 529 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 530 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 531 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 532 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 533 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 534 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 535 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 536 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 537 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 538 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 539 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 540 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 545 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 546 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 547 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 548 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 549 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 554 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 555 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 556 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 557 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 558 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 559 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 560 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 561 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 562 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 563 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 564 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 565 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 566 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 567 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 568 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 569 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 570 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 571 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 572 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 573 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 574 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 578 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo165_s20.cif b/soup/screen/mmcifs/denovo165_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..720dd86a87b83c78ce257777b9a0ef1d58995d72 --- /dev/null +++ b/soup/screen/mmcifs/denovo165_s20.cif @@ -0,0 +1,579 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 10 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 11 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 12 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 17 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 18 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 23 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 24 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 25 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 26 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 27 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 32 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 33 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 34 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 35 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 40 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 41 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 42 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 47 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 52 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 53 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 54 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 55 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 56 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 61 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 62 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 63 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 64 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 65 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 66 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 67 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 72 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 73 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 78 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 79 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 84 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 85 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 86 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 87 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 88 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 89 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 90 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 91 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 92 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 93 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 98 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 99 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 100 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 101 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 110 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 111 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 112 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 113 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 114 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 115 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 116 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 117 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 118 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 119 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 120 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 121 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 122 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 123 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 124 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 125 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 126 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 127 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 128 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 129 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 130 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 131 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 132 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 133 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 134 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 135 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 136 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 137 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 138 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 139 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 140 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 141 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 142 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 143 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 144 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 145 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 146 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 147 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 148 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 149 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 150 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 151 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 152 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 153 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 154 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 155 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 156 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 157 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 158 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 159 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 160 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 161 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 162 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 163 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 164 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 165 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 166 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 167 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 168 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 169 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 170 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 171 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 172 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 173 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 174 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 175 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 176 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 177 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 178 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 179 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 180 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 181 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 182 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 183 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 184 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 185 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 186 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 187 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 188 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 189 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 190 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 191 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 192 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 193 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 194 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 195 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 196 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 197 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 198 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 199 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 200 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 201 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 202 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 203 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 204 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 205 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 206 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 207 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 208 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 209 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 210 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 211 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 212 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 213 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 214 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 215 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 216 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 217 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 222 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 223 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 224 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 225 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 226 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 227 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 228 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 229 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 230 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 231 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 232 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 233 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 234 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 235 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 236 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 237 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 242 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 243 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 248 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 249 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 250 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 251 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 252 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 253 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 254 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 255 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 256 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 257 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 258 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 259 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 260 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 261 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 262 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 263 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 264 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 265 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 266 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 267 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 268 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 269 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 270 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 271 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 272 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 273 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 274 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 275 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 276 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 277 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 278 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 279 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 280 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 281 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 282 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 283 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 284 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 285 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 286 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 287 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 288 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 289 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 290 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 291 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 292 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 293 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 294 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 295 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 296 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 297 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 298 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 299 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 300 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 301 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 302 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 303 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 304 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 305 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 306 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 307 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 308 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 309 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 310 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 311 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 312 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 313 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 314 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 315 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 316 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 317 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 318 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 319 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 320 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 321 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 322 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 323 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 324 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 325 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 326 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 327 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 328 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 329 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 330 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 331 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 332 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 333 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 334 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 335 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 336 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 337 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 338 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 339 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 340 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 341 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 342 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 343 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 344 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 345 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 346 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 347 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 348 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 349 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 350 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 351 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 352 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 353 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 354 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 355 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 356 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 357 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 358 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 359 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 360 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 361 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 362 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 363 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 364 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 365 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 366 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 367 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 368 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 369 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 370 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 371 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 372 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 373 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 374 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 375 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 376 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 377 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 378 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 379 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 380 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 381 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 382 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 383 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 384 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 385 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 386 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 387 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 388 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 389 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 390 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 391 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 392 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 393 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 394 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 395 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 396 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 397 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 398 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 399 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 400 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 401 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 402 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 403 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 404 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 405 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 406 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 407 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 408 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 409 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 410 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 411 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 412 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 413 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 414 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 415 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 416 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 417 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 418 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 419 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 420 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 421 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 422 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 423 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 424 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 425 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 426 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 427 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 428 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 429 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 430 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 431 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 432 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 433 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 434 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 435 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 436 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 437 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 438 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 439 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 440 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 441 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 442 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 443 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 444 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 445 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 446 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 447 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 448 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 449 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 450 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 451 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 452 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 453 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 454 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 455 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 456 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 457 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 458 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 459 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 460 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 461 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 462 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 463 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 464 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 465 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 466 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 467 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 468 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 469 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 470 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 471 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 472 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 473 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 474 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 475 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 476 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 477 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 478 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 479 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 480 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 481 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 482 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 483 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 484 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 485 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 486 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 487 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 488 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 489 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 490 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 491 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 492 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 493 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 494 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 495 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 496 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 497 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 498 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 499 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 500 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 501 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 502 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 503 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 504 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 505 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 506 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 507 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 508 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 509 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 510 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 511 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 512 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 513 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 514 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 515 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 516 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 517 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 518 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 519 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 520 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 521 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 522 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 523 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 524 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 525 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 526 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 527 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 528 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 529 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 530 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 531 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 532 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 533 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 534 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 535 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 536 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 537 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 538 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 539 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 540 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 541 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 542 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 543 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 544 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 545 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 546 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 547 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 548 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 549 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 550 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 551 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 552 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 553 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 554 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 555 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 556 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 557 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 558 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 559 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 560 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 561 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 562 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 563 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo166_s20.cif b/soup/screen/mmcifs/denovo166_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d29046c04ab84db602a4f1af44448028c210723e --- /dev/null +++ b/soup/screen/mmcifs/denovo166_s20.cif @@ -0,0 +1,580 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 19 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 20 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 21 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 26 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 27 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 32 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 33 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 34 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 39 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 40 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 41 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 42 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 43 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 44 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 45 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 46 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 47 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 48 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 49 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 50 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 51 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 52 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 53 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 54 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 55 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 60 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 61 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 62 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 63 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 64 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 65 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 66 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 67 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 68 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 69 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 70 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 71 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 72 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 73 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 74 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 75 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 76 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 77 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 78 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 79 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 80 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 81 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 82 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 83 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 84 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 85 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 86 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 87 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 88 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 89 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 90 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 91 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 92 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 93 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 94 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 95 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 96 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 97 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 98 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 103 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 104 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 105 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 110 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 111 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 112 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 113 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 114 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 115 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 116 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 117 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 118 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 119 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 120 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 121 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 122 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 123 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 124 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 125 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 126 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 127 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 128 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 129 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 130 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 131 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 132 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 133 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 134 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 135 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 136 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 137 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 138 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 139 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 140 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 141 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 142 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 143 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 144 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 145 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 146 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 147 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 148 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 149 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 150 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 151 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 152 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 153 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 154 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 155 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 156 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 157 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 158 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 159 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 160 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 161 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 162 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 163 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 164 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 165 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 166 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 167 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 168 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 169 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 170 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 171 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 172 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 173 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 174 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 175 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 176 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 181 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 182 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 183 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 184 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 185 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 186 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 187 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 188 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 189 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 190 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 191 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 192 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 193 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 194 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 195 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 196 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 197 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 198 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 199 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 200 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 205 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 206 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 207 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 212 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 213 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 214 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 215 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 216 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 217 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 218 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 219 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 220 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 221 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 222 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 223 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 224 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 225 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 226 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 227 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 228 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 229 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 230 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 231 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 232 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 233 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 234 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 235 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 236 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 237 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 238 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 239 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 240 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 241 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 242 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 243 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 244 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 245 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 246 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 247 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 248 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 249 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 250 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 251 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 252 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 253 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 254 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 255 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 256 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 257 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 258 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 259 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 260 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 261 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 262 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 263 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 264 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 265 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 266 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 267 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 268 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 269 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 270 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 271 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 272 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 273 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 274 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 275 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 276 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 277 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 278 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 279 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 280 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 281 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 282 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 283 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 284 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 285 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 290 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 291 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 292 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 293 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 294 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 295 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 296 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 297 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 298 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 299 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 300 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 301 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 302 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 303 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 304 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 305 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 310 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 311 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 312 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 313 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 314 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 315 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 316 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 317 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 318 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 319 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 320 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 321 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 322 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 323 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 324 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 325 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 326 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 327 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 328 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 329 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 330 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 331 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 332 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 333 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 334 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 335 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 336 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 337 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 338 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 339 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 340 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 341 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 342 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 343 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 344 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 345 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 346 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 347 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 348 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 349 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 350 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 351 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 352 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 353 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 354 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 355 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 356 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 357 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 358 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 359 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 360 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 361 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 362 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 363 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 364 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 365 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 366 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 367 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 368 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 369 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 370 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 371 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 372 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 373 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 374 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 375 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 376 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 377 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 378 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 379 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 380 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 381 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 382 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 383 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 384 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 385 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 386 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 387 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 388 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 389 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 390 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 391 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 392 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 393 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 394 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 395 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 396 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 397 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 398 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 399 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 400 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 401 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 402 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 403 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 404 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 405 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 406 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 407 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 412 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 413 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 414 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 415 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 416 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 417 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 418 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 419 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 420 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 421 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 422 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 423 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 424 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 425 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 426 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 427 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 428 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 429 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 430 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 431 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 432 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 433 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 434 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 435 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 436 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 437 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 438 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 439 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 440 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 441 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 442 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 443 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 444 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 445 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 446 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 447 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 448 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 449 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 450 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 451 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 452 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 453 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 454 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 455 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 456 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 457 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 458 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 459 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 460 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 461 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 462 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 463 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 464 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 465 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 466 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 467 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 468 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 469 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 470 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 471 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 472 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 473 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 474 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 475 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 476 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 477 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 478 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 479 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 480 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 481 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 482 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 483 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 484 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 485 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 486 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 487 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 488 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 489 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 490 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 491 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 492 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 493 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 494 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 495 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 496 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 497 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 498 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 499 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 500 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 501 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 502 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 503 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 504 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 505 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 506 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 507 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 508 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 509 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 510 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 511 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 512 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 513 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 514 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 515 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 516 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 517 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 518 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 519 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 520 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 521 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 522 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 523 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 524 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 525 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 526 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 527 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 528 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 529 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 530 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 531 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 532 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 533 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 534 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 535 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 536 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 537 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 538 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 539 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 540 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 541 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 542 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 543 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 544 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 545 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 546 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 547 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 548 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 549 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 550 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 551 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 552 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 553 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 554 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 555 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 556 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 557 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 558 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 559 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 560 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 561 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 562 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 563 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 564 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo167_s20.cif b/soup/screen/mmcifs/denovo167_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..88a0911e3ec9f61758f5a1191a9758722a17f976 --- /dev/null +++ b/soup/screen/mmcifs/denovo167_s20.cif @@ -0,0 +1,589 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 14 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 19 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 20 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 21 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 22 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 27 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 28 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 29 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 30 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 31 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 36 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 37 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 38 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 39 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 40 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 45 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 46 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 47 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 48 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 53 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 54 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 55 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 56 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 57 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 58 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 59 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 68 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 69 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 70 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 71 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 72 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 73 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 74 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 79 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 80 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 85 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 90 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 95 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 96 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 97 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 98 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 99 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 100 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 101 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 102 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 103 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 104 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 105 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 106 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 111 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 112 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 113 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 114 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 115 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 120 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 121 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 122 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 123 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 124 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 125 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 126 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 127 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 132 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 133 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 134 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 139 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 140 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 141 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 142 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 147 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 148 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 149 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 154 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 155 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 156 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 157 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 158 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 159 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 160 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 161 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 162 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 163 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 164 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 165 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 166 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 167 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 172 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 173 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 174 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 179 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 180 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 181 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 182 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 183 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 184 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 185 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 186 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 187 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 188 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 189 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 190 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 195 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 196 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 197 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 202 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 203 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 204 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 205 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 206 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 207 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 208 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 209 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 210 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 211 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 212 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 213 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 214 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 215 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 216 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 217 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 218 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 219 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 220 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 225 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 226 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 227 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 232 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 233 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 234 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 235 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 236 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 237 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 238 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 239 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 240 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 241 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 242 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 247 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 248 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 249 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 250 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 251 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 252 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 253 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 254 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 255 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 260 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 261 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 262 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 263 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 264 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 265 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 266 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 267 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 268 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 269 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 270 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 271 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 272 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 273 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 274 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 275 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 276 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 277 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 278 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 279 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 280 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 281 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 282 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 283 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 284 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 285 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 286 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 287 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 288 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 289 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 290 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 291 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 292 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 293 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 294 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 295 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 296 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 297 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 298 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 299 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 300 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 301 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 302 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 303 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 304 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 305 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 306 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 307 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 308 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 309 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 310 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 311 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 312 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 313 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 314 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 315 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 316 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 317 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 318 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 319 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 320 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 321 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 322 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 323 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 324 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 325 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 326 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 327 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 328 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 329 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 330 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 331 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 332 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 333 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 334 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 335 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 336 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 337 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 338 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 339 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 340 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 341 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 342 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 343 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 344 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 345 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 346 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 347 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 348 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 349 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 350 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 351 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 352 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 353 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 354 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 355 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 356 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 357 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 362 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 363 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 364 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 369 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 370 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 371 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 372 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 373 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 374 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 375 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 376 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 377 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 378 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 379 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 380 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 381 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 382 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 383 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 384 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 385 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 386 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 387 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 388 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 389 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 390 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 395 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 396 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 397 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 398 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 399 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 408 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 409 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 410 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 411 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 412 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 413 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 414 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 415 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 416 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 417 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 418 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 419 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 420 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 421 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 422 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 423 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 424 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 425 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 426 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 427 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 428 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 429 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 430 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 431 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 432 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 433 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 434 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 435 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 436 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 437 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 438 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 439 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 440 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 441 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 442 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 443 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 444 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 445 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 446 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 447 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 448 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 449 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 450 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 451 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 452 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 453 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 454 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 455 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 456 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 457 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 458 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 459 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 460 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 461 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 462 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 463 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 464 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 465 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 466 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 467 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 468 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 469 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 470 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 471 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 472 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 473 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 474 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 475 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 476 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 477 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 478 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 479 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 480 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 481 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 482 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 483 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 484 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 485 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 486 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 487 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 488 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 489 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 490 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 491 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 492 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 493 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 494 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 495 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 496 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 497 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 498 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 499 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 500 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 501 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 502 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 503 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 504 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 505 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 506 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 507 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 508 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 509 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 510 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 511 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 512 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 513 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 514 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 515 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 516 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 517 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 518 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 519 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 520 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 521 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 522 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 523 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 524 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 525 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 526 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 527 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 528 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 533 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 534 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 535 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 536 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 537 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 538 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 539 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 540 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 541 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 542 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 543 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 544 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 545 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 550 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 551 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 552 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 553 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 554 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 555 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 556 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 557 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 558 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 559 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 560 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 561 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 562 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 563 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 564 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 565 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 566 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 567 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 568 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 569 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 570 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 571 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 572 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 573 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo168_s20.cif b/soup/screen/mmcifs/denovo168_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..4d3e147d637f77d9d09f71effe5112625bae7ef2 --- /dev/null +++ b/soup/screen/mmcifs/denovo168_s20.cif @@ -0,0 +1,604 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 15 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 16 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 17 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 18 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 23 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 24 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 25 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 26 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 27 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 28 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 29 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 30 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 31 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 36 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 37 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 38 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 47 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 48 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 49 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 54 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 55 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 60 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 61 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 62 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 67 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 68 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 69 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 70 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 75 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 76 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 77 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 78 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 83 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 84 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 85 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 86 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 87 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 92 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 93 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 94 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 99 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 100 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 105 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 106 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 115 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 116 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 117 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 118 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 119 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 124 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 125 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 126 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 131 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 132 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 133 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 134 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 135 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 136 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 137 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 138 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 139 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 140 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 141 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 142 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 147 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 148 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 149 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 150 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 155 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 156 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 157 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 158 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 159 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 160 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 161 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 162 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 163 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 164 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 165 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 166 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 167 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 168 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 169 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 170 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 171 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 172 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 173 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 174 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 175 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 176 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 177 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 178 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 179 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 184 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 185 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 186 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 187 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 188 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 193 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 194 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 195 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 200 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 201 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 202 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 203 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 204 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 205 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 206 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 207 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 208 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 209 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 210 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 211 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 212 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 213 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 214 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 215 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 216 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 217 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 218 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 219 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 220 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 221 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 222 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 223 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 224 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 229 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 230 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 231 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 232 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 233 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 234 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 235 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 240 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 241 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 242 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 247 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 248 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 249 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 250 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 251 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 252 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 253 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 254 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 255 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 256 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 257 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 258 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 259 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 260 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 261 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 262 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 263 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 264 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 265 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 266 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 267 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 268 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 269 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 270 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 271 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 272 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 273 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 274 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 275 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 276 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 277 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 278 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 279 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 280 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 281 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 282 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 283 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 284 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 285 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 286 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 287 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 288 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 289 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 290 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 291 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 292 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 293 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 294 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 295 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 296 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 297 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 298 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 299 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 300 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 301 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 302 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 303 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 304 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 305 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 306 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 307 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 308 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 309 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 314 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 315 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 316 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 317 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 318 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 319 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 320 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 321 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 322 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 323 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 324 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 325 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 326 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 327 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 328 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 329 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 330 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 331 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 332 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 333 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 334 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 335 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 336 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 337 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 338 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 343 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 344 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 345 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 346 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 347 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 348 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 349 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 350 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 351 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 352 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 353 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 354 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 359 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 360 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 361 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 362 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 363 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 364 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 365 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 366 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 367 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 368 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 369 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 370 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 371 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 372 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 373 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 374 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 375 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 376 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 377 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 378 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 379 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 380 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 381 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 382 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 383 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 388 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 389 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 390 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 391 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 392 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 393 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 394 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 395 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 396 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 397 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 398 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 399 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 408 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 409 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 410 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 411 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 412 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 413 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 414 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 415 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 416 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 417 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 418 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 419 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 420 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 421 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 422 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 423 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 424 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 425 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 426 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 427 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 428 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 429 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 430 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 435 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 436 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 437 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 438 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 439 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 440 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 441 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 442 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 447 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 448 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 449 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 450 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 451 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 452 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 453 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 454 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 455 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 456 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 457 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 458 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 459 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 460 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 461 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 462 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 463 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 464 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 465 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 466 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 467 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 468 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 473 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 474 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 475 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 476 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 477 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 478 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 479 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 480 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 481 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 482 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 483 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 484 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 485 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 486 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 487 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 488 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 489 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 490 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 491 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 492 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 493 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 494 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 495 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 496 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 497 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 498 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 499 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 500 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 501 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 502 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 503 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 504 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 505 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 506 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 507 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 508 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 509 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 510 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 511 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 512 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 513 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 514 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 515 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 516 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 517 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 518 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 519 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 520 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 521 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 522 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 523 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 524 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 525 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 526 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 527 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 528 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 529 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 530 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 531 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 532 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 533 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 534 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 535 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 536 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 537 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 538 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 539 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 540 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 541 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 542 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 543 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 544 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 545 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 546 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 547 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 548 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 549 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 550 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 551 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 552 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 553 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 554 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 555 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 556 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 557 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 558 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 559 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 560 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 561 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 562 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 563 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 564 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 565 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 566 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 567 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 568 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 569 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 570 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 571 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 572 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 573 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 574 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 575 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 576 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 577 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 578 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 579 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 580 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 581 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 582 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 583 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 584 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 585 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 586 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 587 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 588 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo169_s20.cif b/soup/screen/mmcifs/denovo169_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..48f9e05e61a94dc0655671b4aef614cfaf8dbbd9 --- /dev/null +++ b/soup/screen/mmcifs/denovo169_s20.cif @@ -0,0 +1,604 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 13 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 14 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 19 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 20 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 21 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 22 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 27 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 28 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 29 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 30 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 35 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 36 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 37 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 38 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 43 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 44 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 45 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 50 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 51 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 52 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 53 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 54 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 59 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 64 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 65 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 66 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 67 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 68 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 69 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 70 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 75 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 80 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 81 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 82 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 83 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 88 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 89 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 94 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 95 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 96 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 97 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 98 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 99 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 100 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 101 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 102 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 103 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 104 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 105 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 106 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 107 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 108 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 109 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 110 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 111 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 116 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 117 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 118 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 119 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 120 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 121 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 122 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 123 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 124 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 125 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 126 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 127 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 132 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 133 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 134 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 135 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 136 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 137 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 138 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 143 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 144 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 145 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 146 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 147 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 148 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 149 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 150 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 151 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 152 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 153 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 158 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 159 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 160 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 161 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 170 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 171 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 172 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 173 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 174 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 183 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 184 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 185 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 186 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 187 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 188 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 189 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 190 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 191 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 192 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 193 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 194 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 195 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 196 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 197 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 202 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 203 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 204 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 205 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 206 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 207 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 208 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 209 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 210 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 211 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 212 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 213 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 214 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 215 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 216 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 217 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 218 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 219 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 220 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 221 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 222 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 223 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 224 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 229 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 230 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 231 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 232 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 233 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 234 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 235 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 236 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 237 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 238 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 239 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 240 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 241 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 242 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 243 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 244 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 245 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 246 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 247 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 248 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 249 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 250 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 251 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 252 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 253 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 254 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 255 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 260 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 261 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 262 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 263 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 264 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 265 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 266 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 267 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 268 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 269 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 270 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 271 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 272 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 273 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 274 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 275 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 276 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 277 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 278 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 279 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 280 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 281 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 282 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 283 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 284 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 285 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 286 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 287 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 288 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 289 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 290 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 291 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 292 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 293 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 294 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 299 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 300 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 301 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 302 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 303 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 304 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 305 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 306 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 307 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 308 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 309 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 310 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 311 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 312 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 313 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 314 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 315 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 316 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 317 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 318 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 323 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 324 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 329 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 330 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 331 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 332 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 333 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 334 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 335 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 336 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 337 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 338 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 339 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 340 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 341 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 342 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 343 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 344 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 345 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 346 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 347 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 348 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 349 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 350 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 351 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 352 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 353 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 354 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 355 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 356 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 357 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 358 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 359 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 360 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 361 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 362 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 363 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 364 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 365 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 366 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 367 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 368 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 369 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 370 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 371 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 372 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 373 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 374 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 375 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 376 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 377 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 378 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 379 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 380 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 381 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 382 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 383 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 384 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 385 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 386 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 387 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 388 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 389 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 390 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 391 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 392 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 393 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 394 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 395 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 396 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 397 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 398 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 399 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 400 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 401 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 402 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 403 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 404 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 405 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 406 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 407 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 408 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 409 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 410 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 411 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 412 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 413 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 414 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 415 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 416 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 417 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 418 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 419 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 420 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 421 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 422 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 423 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 424 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 425 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 426 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 427 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 428 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 429 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 430 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 431 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 432 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 433 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 434 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 435 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 436 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 437 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 438 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 439 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 440 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 441 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 442 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 443 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 444 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 445 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 446 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 447 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 448 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 449 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 450 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 451 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 452 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 453 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 454 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 455 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 456 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 457 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 458 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 459 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 460 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 461 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 462 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 463 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 464 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 465 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 466 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 467 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 468 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 469 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 470 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 471 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 472 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 473 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 474 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 475 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 476 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 477 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 478 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 479 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 480 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 481 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 482 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 483 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 484 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 485 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 486 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 487 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 488 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 489 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 490 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 491 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 492 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 493 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 494 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 495 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 496 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 497 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 498 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 499 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 500 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 501 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 502 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 503 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 504 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 505 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 506 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 507 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 508 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 509 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 510 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 511 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 512 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 513 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 514 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 515 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 516 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 517 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 518 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 519 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 520 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 521 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 522 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 523 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 524 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 525 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 526 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 527 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 528 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 529 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 530 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 531 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 532 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 533 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 534 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 535 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 536 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 537 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 538 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 539 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 540 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 541 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 542 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 543 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 544 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 545 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 546 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 547 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 548 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 549 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 550 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 551 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 552 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 553 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 554 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 555 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 556 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 557 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 558 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 559 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 560 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 561 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 562 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 563 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 564 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 565 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 566 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 567 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 568 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 569 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 570 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 571 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 572 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 573 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 574 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 575 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 576 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 577 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 578 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 579 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 580 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 581 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 582 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 583 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 584 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 585 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 586 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 587 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 588 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo16_s20.cif b/soup/screen/mmcifs/denovo16_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..af802ef63483ad447f71f10bbd245cfde6f9023d --- /dev/null +++ b/soup/screen/mmcifs/denovo16_s20.cif @@ -0,0 +1,614 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 17 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 18 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 19 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 20 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 21 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 26 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 27 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 28 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 33 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 34 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 35 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 36 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 37 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 42 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 43 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 44 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 45 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 46 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 47 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 48 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 49 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 50 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 51 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 52 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 53 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 54 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 55 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 56 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 57 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 58 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 59 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 60 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 61 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 62 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 63 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 64 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 65 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 66 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 67 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 68 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 69 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 70 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 71 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 72 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 73 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 74 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 75 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 76 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 77 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 78 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 79 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 80 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 81 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 82 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 83 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 84 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 85 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 86 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 87 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 88 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 89 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 90 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 91 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 92 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 93 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 94 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 95 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 96 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 97 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 98 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 99 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 100 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 101 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 102 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 103 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 104 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 105 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 106 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 107 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 108 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 109 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 110 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 111 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 112 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 113 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 114 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 115 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 116 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 117 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 118 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 119 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 120 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 121 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 122 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 123 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 124 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 125 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 130 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 131 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 136 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 137 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 138 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 139 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 140 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 141 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 142 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 143 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 144 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 145 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 146 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 147 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 148 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 149 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 150 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 151 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 152 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 153 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 154 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 155 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 156 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 157 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 158 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 159 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 160 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 161 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 166 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 167 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 172 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 173 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 174 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 175 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 176 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 177 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 178 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 179 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 180 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 181 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 182 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 183 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 184 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 185 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 186 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 187 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 192 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 193 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 194 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 195 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 196 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 197 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 198 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 199 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 200 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 205 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 206 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 207 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 208 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 209 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 214 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 215 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 216 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 217 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 218 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 219 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 220 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 225 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 226 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 227 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 228 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 229 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 230 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 231 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 232 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 233 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 234 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 235 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 236 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 237 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 238 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 239 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 240 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 241 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 242 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 243 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 244 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 245 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 246 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 247 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 248 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 249 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 250 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 251 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 252 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 253 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 254 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 255 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 256 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 257 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 258 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 259 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 260 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 261 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 262 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 263 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 264 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 265 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 266 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 267 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 268 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 269 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 270 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 271 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 272 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 273 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 274 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 275 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 276 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 277 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 278 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 279 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 280 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 281 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 282 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 283 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 284 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 285 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 286 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 287 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 288 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 289 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 290 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 291 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 292 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 293 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 294 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 295 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 296 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 297 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 298 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 299 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 300 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 301 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 302 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 303 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 304 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 305 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 306 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 307 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 308 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 309 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 310 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 311 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 312 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 313 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 314 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 315 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 316 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 317 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 318 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 319 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 320 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 321 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 322 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 323 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 324 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 325 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 326 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 327 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 328 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 329 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 330 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 331 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 332 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 333 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 334 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 335 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 336 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 337 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 338 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 339 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 340 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 341 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 342 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 343 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 344 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 345 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 346 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 347 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 348 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 349 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 350 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 351 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 352 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 353 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 354 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 355 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 356 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 357 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 358 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 359 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 360 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 361 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 362 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 363 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 364 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 365 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 366 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 367 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 368 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 369 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 370 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 371 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 372 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 373 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 374 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 375 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 376 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 377 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 378 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 379 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 380 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 381 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 382 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 383 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 384 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 385 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 386 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 387 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 388 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 389 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 390 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 391 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 392 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 393 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 394 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 395 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 400 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 401 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 402 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 403 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 404 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 405 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 406 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 407 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 408 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 409 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 410 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 411 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 412 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 413 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 414 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 415 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 416 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 417 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 418 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 419 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 420 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 421 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 422 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 423 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 424 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 425 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 426 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 427 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 428 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 429 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 430 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 431 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 432 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 433 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 434 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 435 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 436 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 437 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 438 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 439 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 440 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 441 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 442 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 443 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 444 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 445 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 446 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 447 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 448 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 449 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 450 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 451 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 452 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 453 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 454 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 455 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 456 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 457 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 458 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 459 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 460 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 461 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 462 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 463 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 464 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 465 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 466 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 467 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 468 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 469 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 470 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 471 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 472 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 473 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 474 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 475 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 476 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 477 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 478 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 479 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 480 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 481 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 482 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 483 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 484 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 485 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 486 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 487 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 488 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 489 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 490 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 491 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 492 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 493 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 494 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 495 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 496 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 497 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 498 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 499 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 500 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 501 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 502 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 503 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 504 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 505 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 506 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 507 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 508 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 509 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 510 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 511 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 512 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 513 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 514 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 515 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 516 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 517 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 518 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 519 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 520 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 521 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 522 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 523 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 524 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 525 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 526 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 527 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 528 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 529 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 530 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 531 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 532 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 533 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 534 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 535 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 536 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 537 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 538 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 539 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 540 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 541 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 542 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 543 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 544 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 545 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 546 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 547 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 548 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 549 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 550 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 551 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 552 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 553 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 554 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 555 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 556 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 557 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 558 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 559 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 560 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 561 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 562 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 563 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 564 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 565 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 566 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 567 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 568 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 569 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 570 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 571 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 572 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 573 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 574 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 575 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 576 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 577 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 578 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 579 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 580 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 581 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 582 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 583 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 584 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 585 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 586 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 587 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 588 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 589 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 590 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 591 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 592 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 593 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 594 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 595 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 596 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 597 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 598 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo170_s20.cif b/soup/screen/mmcifs/denovo170_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c2be5a139e5561b4cfae9dd12c0172f2cb68564b --- /dev/null +++ b/soup/screen/mmcifs/denovo170_s20.cif @@ -0,0 +1,627 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 11 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 12 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 13 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 18 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 19 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 24 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 25 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 26 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 27 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 28 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 37 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 38 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 39 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 40 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 41 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 42 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 43 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 44 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 45 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 46 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 47 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 48 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 49 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 50 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 51 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 52 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 53 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 54 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 55 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 56 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 57 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 58 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 59 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 60 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 65 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 66 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 67 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 72 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 73 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 74 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 75 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 76 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 77 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 78 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 79 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 80 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 81 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 82 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 83 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 84 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 89 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 90 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 91 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 92 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 93 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 98 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 99 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 100 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 101 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 102 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 103 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 104 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 105 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 106 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 107 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 108 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 113 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 114 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 115 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 120 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 121 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 122 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 123 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 124 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 125 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 126 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 131 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 132 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 133 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 138 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 139 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 140 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 141 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 142 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 147 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 148 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 149 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 150 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 151 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 156 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 157 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 158 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 159 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 160 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 161 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 162 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 163 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 164 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 165 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 166 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 167 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 168 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 169 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 170 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 171 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 172 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 173 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 174 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 175 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 176 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 177 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 178 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 179 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 180 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 181 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 182 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 183 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 184 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 185 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 186 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 187 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 192 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 193 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 194 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 195 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 196 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 197 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 198 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 199 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 200 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 201 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 202 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 203 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 204 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 205 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 206 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 207 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 208 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 209 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 214 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 215 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 216 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 217 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 218 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 219 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 220 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 221 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 222 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 223 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 224 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 225 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 226 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 227 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 236 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 237 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 238 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 239 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 240 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 241 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 242 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 247 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 252 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 253 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 254 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 255 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 256 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 257 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 258 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 259 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 260 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 261 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 262 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 263 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 264 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 265 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 266 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 267 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 268 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 269 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 270 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 271 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 272 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 273 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 274 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 275 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 276 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 277 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 278 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 279 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 280 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 281 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 282 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 283 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 284 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 285 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 286 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 287 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 288 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 289 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 290 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 291 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 292 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 293 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 294 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 295 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 296 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 297 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 298 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 299 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 300 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 301 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 302 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 303 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 304 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 305 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 306 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 307 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 308 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 309 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 310 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 311 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 312 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 313 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 314 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 315 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 316 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 317 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 318 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 319 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 320 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 321 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 322 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 323 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 324 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 329 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 330 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 331 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 332 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 333 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 334 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 335 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 336 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 337 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 338 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 339 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 340 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 341 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 342 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 343 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 344 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 345 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 346 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 347 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 348 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 349 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 350 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 351 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 352 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 353 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 354 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 355 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 356 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 357 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 358 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 359 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 360 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 361 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 362 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 363 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 364 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 365 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 366 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 367 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 368 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 369 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 370 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 371 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 372 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 373 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 374 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 375 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 376 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 377 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 378 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 379 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 380 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 381 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 382 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 383 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 384 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 385 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 386 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 387 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 388 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 389 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 390 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 391 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 392 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 393 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 394 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 395 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 396 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 397 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 398 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 399 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 400 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 401 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 402 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 403 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 404 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 405 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 406 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 407 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 408 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 409 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 410 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 411 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 412 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 413 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 414 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 415 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 416 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 417 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 418 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 419 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 420 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 421 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 422 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 423 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 424 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 425 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 426 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 427 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 428 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 429 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 430 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 431 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 432 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 433 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 434 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 435 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 436 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 437 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 438 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 443 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 444 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 445 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 446 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 447 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 448 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 449 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 450 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 451 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 452 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 453 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 454 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 455 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 456 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 457 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 458 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 459 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 460 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 461 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 462 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 463 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 464 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 465 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 466 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 467 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 468 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 469 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 470 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 471 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 472 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 473 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 474 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 475 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 476 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 477 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 478 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 479 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 480 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 481 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 482 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 483 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 484 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 485 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 486 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 487 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 488 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 489 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 490 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 491 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 492 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 493 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 494 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 495 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 496 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 497 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 498 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 499 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 500 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 501 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 502 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 503 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 504 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 505 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 506 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 507 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 508 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 509 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 510 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 511 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 512 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 513 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 514 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 515 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 516 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 517 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 518 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 519 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 520 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 521 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 522 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 523 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 524 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 525 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 526 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 527 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 528 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 529 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 530 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 531 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 532 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 533 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 534 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 535 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 536 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 537 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 538 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 539 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 540 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 541 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 542 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 543 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 544 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 545 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 546 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 547 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 548 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 549 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 550 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 551 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 552 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 553 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 554 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 555 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 556 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 557 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 558 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 559 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 560 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 561 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 562 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 563 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 564 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 565 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 566 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 567 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 568 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 569 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 570 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 571 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 572 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 573 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 574 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 575 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 576 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 577 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 578 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 579 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 580 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 581 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 582 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 583 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 584 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 585 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 586 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 587 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 588 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 589 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 590 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 591 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 592 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 593 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 594 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 595 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 596 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 597 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 598 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 599 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 600 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 601 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 602 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 603 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 604 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 605 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 606 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 607 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 608 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 609 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 610 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 611 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo171_s20.cif b/soup/screen/mmcifs/denovo171_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..8f9053d97d717c59f248b30b59637266574251bb --- /dev/null +++ b/soup/screen/mmcifs/denovo171_s20.cif @@ -0,0 +1,595 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 13 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 18 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 19 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 20 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 21 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 22 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 27 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 28 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 37 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 38 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 39 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 40 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 41 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 42 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 43 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 44 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 45 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 46 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 47 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 48 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 49 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 50 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 55 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 56 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 57 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 58 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 59 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 64 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 65 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 66 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 71 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 72 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 73 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 74 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 75 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 76 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 77 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 82 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 83 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 84 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 85 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 86 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 87 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 88 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 89 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 90 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 91 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 92 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 93 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 94 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 95 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 100 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 101 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 102 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 103 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 104 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 105 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 106 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 111 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 116 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 117 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 118 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 119 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 120 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 121 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 122 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 123 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 124 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 125 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 126 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 127 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 128 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 129 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 130 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 131 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 136 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 137 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 138 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 143 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 144 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 145 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 146 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 147 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 148 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 149 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 150 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 151 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 152 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 153 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 158 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 159 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 160 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 161 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 162 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 163 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 164 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 165 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 166 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 167 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 168 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 169 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 170 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 171 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 172 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 173 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 174 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 175 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 176 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 177 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 178 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 179 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 180 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 181 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 186 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 187 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 188 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 189 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 190 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 191 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 192 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 193 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 194 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 195 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 196 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 197 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 198 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 199 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 200 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 201 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 202 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 207 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 208 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 209 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 214 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 215 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 216 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 217 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 218 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 219 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 220 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 225 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 226 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 227 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 228 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 229 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 230 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 231 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 232 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 233 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 234 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 235 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 236 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 237 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 238 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 239 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 240 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 241 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 242 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 243 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 244 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 245 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 246 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 247 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 248 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 249 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 250 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 251 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 252 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 253 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 254 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 255 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 256 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 257 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 258 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 259 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 260 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 261 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 262 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 263 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 264 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 265 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 266 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 267 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 268 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 269 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 270 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 271 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 272 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 273 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 274 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 275 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 276 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 277 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 278 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 279 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 280 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 281 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 282 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 283 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 284 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 285 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 286 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 287 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 288 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 289 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 290 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 291 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 292 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 293 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 294 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 295 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 296 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 297 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 298 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 299 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 300 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 301 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 302 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 303 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 304 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 305 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 306 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 307 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 308 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 309 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 310 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 311 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 312 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 313 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 314 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 315 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 316 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 317 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 318 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 319 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 320 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 321 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 322 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 323 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 324 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 325 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 326 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 327 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 328 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 329 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 330 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 331 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 332 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 333 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 334 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 335 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 336 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 337 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 338 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 339 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 340 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 341 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 342 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 343 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 344 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 345 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 346 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 347 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 348 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 349 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 350 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 351 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 352 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 353 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 354 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 355 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 356 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 357 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 358 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 359 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 360 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 361 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 362 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 363 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 364 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 365 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 366 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 367 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 368 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 369 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 370 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 371 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 372 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 373 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 374 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 375 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 376 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 377 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 378 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 379 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 380 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 381 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 382 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 383 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 384 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 385 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 386 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 387 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 388 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 389 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 390 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 391 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 392 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 393 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 394 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 395 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 396 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 397 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 398 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 399 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 400 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 401 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 402 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 403 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 404 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 405 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 406 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 411 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 412 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 413 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 414 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 415 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 416 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 417 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 418 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 419 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 420 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 421 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 422 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 423 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 424 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 425 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 426 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 427 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 428 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 429 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 430 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 431 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 432 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 433 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 434 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 435 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 436 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 437 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 438 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 439 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 440 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 441 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 442 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 443 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 444 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 445 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 446 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 447 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 448 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 449 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 450 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 451 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 452 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 453 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 454 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 455 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 456 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 457 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 458 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 459 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 460 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 461 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 462 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 463 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 464 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 465 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 466 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 467 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 468 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 469 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 470 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 471 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 472 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 473 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 474 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 475 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 480 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 481 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 482 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 483 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 484 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 485 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 486 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 487 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 488 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 489 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 490 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 491 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 492 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 493 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 494 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 495 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 496 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 497 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 498 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 499 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 500 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 501 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 502 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 503 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 504 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 505 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 506 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 507 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 508 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 509 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 510 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 511 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 512 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 513 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 514 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 515 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 516 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 517 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 518 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 519 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 520 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 521 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 522 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 523 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 524 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 525 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 526 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 527 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 528 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 529 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 530 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 531 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 532 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 533 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 534 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 535 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 536 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 537 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 538 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 539 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 540 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 541 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 542 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 543 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 544 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 545 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 546 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 547 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 548 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 549 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 550 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 551 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 552 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 553 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 554 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 555 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 556 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 557 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 558 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 559 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 560 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 561 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 562 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 563 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 564 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 565 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 566 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 567 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 568 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 569 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 570 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 571 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 572 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 573 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 574 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 575 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 576 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 577 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 578 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 579 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo172_s20.cif b/soup/screen/mmcifs/denovo172_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..927a393399de739be9b649df93dcd29f895a888a --- /dev/null +++ b/soup/screen/mmcifs/denovo172_s20.cif @@ -0,0 +1,614 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 15 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 16 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 17 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 22 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 23 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 24 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 25 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 26 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 31 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 32 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 33 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 38 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 39 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 40 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 45 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 46 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 47 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 56 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 61 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 62 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 63 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 64 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 65 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 66 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 67 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 72 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 77 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 78 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 79 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 80 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 81 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 86 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 87 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 88 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 89 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 98 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 99 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 100 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 105 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 110 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 111 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 112 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 113 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 114 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 115 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 116 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 117 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 118 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 119 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 120 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 125 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 126 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 131 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 132 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 133 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 134 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 135 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 136 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 137 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 138 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 139 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 140 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 141 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 142 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 143 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 144 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 145 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 146 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 147 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 148 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 149 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 150 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 151 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 152 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 153 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 154 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 155 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 156 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 157 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 158 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 159 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 160 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 161 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 162 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 163 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 164 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 165 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 170 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 171 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 172 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 173 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 174 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 175 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 176 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 177 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 178 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 179 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 180 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 181 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 182 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 183 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 184 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 185 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 186 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 187 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 188 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 189 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 190 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 191 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 192 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 193 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 194 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 195 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 196 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 197 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 198 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 199 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 200 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 201 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 202 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 203 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 204 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 205 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 206 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 207 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 208 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 209 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 210 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 211 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 212 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 213 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 214 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 215 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 216 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 217 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 218 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 219 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 220 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 221 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 222 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 223 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 224 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 225 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 226 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 227 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 228 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 229 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 230 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 231 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 232 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 233 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 234 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 235 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 236 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 237 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 238 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 239 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 240 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 241 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 242 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 243 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 244 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 245 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 246 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 247 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 248 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 249 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 250 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 251 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 252 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 253 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 254 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 255 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 256 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 257 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 258 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 259 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 260 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 265 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 266 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 267 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 272 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 273 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 274 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 275 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 276 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 281 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 282 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 283 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 288 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 289 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 290 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 291 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 292 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 293 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 294 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 295 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 296 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 297 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 298 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 299 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 300 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 301 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 302 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 303 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 304 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 305 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 306 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 307 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 308 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 309 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 310 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 311 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 312 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 313 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 314 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 315 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 316 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 317 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 318 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 319 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 320 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 321 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 322 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 323 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 324 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 325 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 326 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 327 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 328 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 329 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 330 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 331 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 332 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 333 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 334 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 335 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 336 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 337 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 338 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 339 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 340 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 341 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 342 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 343 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 344 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 345 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 350 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 351 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 352 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 353 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 354 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 355 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 356 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 357 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 358 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 359 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 360 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 361 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 362 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 363 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 364 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 369 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 370 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 371 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 372 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 373 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 378 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 379 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 380 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 381 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 382 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 383 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 384 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 385 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 386 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 387 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 388 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 389 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 390 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 391 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 392 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 393 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 394 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 395 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 396 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 397 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 398 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 399 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 400 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 401 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 402 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 403 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 404 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 405 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 406 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 407 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 408 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 409 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 410 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 411 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 412 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 413 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 414 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 415 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 416 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 417 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 418 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 419 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 420 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 421 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 422 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 423 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 424 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 425 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 426 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 427 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 428 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 429 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 430 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 431 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 432 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 433 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 434 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 435 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 436 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 437 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 438 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 443 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 444 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 445 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 446 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 447 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 448 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 449 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 450 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 451 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 452 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 453 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 454 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 455 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 456 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 457 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 458 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 459 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 460 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 461 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 462 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 463 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 464 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 465 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 466 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 467 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 468 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 469 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 470 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 471 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 472 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 473 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 474 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 475 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 476 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 477 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 478 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 479 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 480 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 481 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 482 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 483 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 484 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 485 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 486 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 487 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 488 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 489 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 490 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 491 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 492 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 493 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 494 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 495 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 496 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 497 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 498 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 499 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 500 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 501 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 502 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 503 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 504 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 505 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 506 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 507 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 508 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 509 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 510 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 511 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 512 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 513 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 514 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 515 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 516 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 517 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 518 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 519 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 520 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 521 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 522 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 523 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 524 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 525 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 526 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 527 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 528 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 529 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 530 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 531 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 532 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 533 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 534 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 535 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 536 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 537 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 538 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 539 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 540 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 541 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 542 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 543 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 544 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 545 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 546 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 547 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 548 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 549 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 550 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 551 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 552 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 553 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 554 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 555 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 556 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 557 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 558 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 559 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 560 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 561 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 562 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 563 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 564 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 565 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 566 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 567 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 568 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 569 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 570 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 571 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 572 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 573 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 574 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 575 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 576 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 577 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 578 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 579 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 580 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 581 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 582 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 583 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 584 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 585 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 586 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 587 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 588 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 589 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 590 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 591 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 592 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 593 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 594 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 595 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 596 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 597 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 598 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo173_s20.cif b/soup/screen/mmcifs/denovo173_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..52b14233630aa15588e711a65fd163a30d0139c6 --- /dev/null +++ b/soup/screen/mmcifs/denovo173_s20.cif @@ -0,0 +1,582 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 11 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 12 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 13 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 14 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 15 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 20 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 21 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 22 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 23 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 24 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 29 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 30 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 31 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 36 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 37 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 38 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 43 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 44 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 45 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 50 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 55 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 56 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 57 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 62 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 63 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 64 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 65 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 66 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 67 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 68 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 73 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 74 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 75 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 76 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 77 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 82 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 83 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 84 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 85 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 90 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 91 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 92 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 93 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 94 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 95 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 96 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 97 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 98 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 99 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 100 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 101 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 106 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 107 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 108 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 113 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 114 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 115 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 120 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 121 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 122 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 123 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 124 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 129 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 130 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 131 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 132 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 133 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 134 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 135 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 136 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 137 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 138 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 139 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 140 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 141 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 142 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 143 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 148 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 149 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 150 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 151 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 152 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 153 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 154 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 155 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 156 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 157 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 158 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 159 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 160 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 161 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 162 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 163 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 164 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 165 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 166 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 167 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 168 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 169 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 174 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 175 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 176 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 181 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 182 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 183 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 184 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 185 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 190 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 191 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 192 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 197 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 198 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 199 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 200 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 201 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 202 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 203 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 204 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 205 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 206 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 207 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 208 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 209 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 210 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 211 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 212 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 213 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 214 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 215 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 216 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 217 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 218 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 219 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 220 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 221 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 222 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 223 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 224 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 229 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 230 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 231 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 232 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 237 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 242 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 243 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 248 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 249 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 254 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 255 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 256 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 257 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 258 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 259 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 260 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 261 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 262 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 263 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 264 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 265 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 266 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 267 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 272 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 273 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 274 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 275 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 276 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 281 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 282 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 283 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 288 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 289 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 290 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 291 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 292 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 293 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 294 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 295 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 296 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 297 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 298 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 299 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 300 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 301 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 302 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 303 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 304 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 305 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 306 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 307 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 308 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 309 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 310 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 311 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 312 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 313 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 314 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 315 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 316 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 317 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 318 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 319 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 324 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 325 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 326 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 327 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 328 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 329 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 330 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 331 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 332 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 333 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 334 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 335 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 336 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 337 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 338 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 339 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 340 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 341 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 342 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 343 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 344 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 345 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 346 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 347 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 348 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 349 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 350 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 351 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 352 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 353 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 354 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 355 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 356 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 357 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 358 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 359 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 360 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 361 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 362 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 363 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 364 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 365 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 366 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 367 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 368 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 369 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 370 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 371 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 372 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 373 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 374 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 375 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 376 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 377 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 378 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 379 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 380 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 381 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 382 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 383 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 384 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 385 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 386 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 387 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 388 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 389 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 390 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 391 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 392 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 393 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 394 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 395 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 396 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 397 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 398 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 399 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 400 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 401 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 402 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 403 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 404 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 405 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 406 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 407 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 408 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 409 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 410 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 411 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 412 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 413 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 414 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 415 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 416 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 417 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 418 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 419 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 420 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 421 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 422 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 423 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 424 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 425 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 426 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 427 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 428 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 429 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 430 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 431 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 432 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 433 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 434 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 435 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 436 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 437 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 438 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 439 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 440 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 441 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 442 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 443 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 444 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 445 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 446 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 447 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 448 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 449 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 450 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 451 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 452 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 453 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 454 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 455 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 456 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 457 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 458 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 459 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 460 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 461 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 462 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 463 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 464 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 465 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 466 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 467 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 468 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 469 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 470 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 471 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 472 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 473 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 474 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 475 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 476 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 477 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 478 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 479 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 480 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 481 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 482 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 483 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 484 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 485 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 486 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 487 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 488 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 489 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 490 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 491 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 492 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 493 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 494 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 495 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 496 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 497 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 498 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 499 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 500 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 501 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 502 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 503 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 504 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 505 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 506 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 507 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 508 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 509 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 510 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 511 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 512 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 513 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 514 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 515 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 516 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 517 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 518 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 519 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 520 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 521 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 522 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 523 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 524 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 525 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 526 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 527 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 528 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 529 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 530 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 531 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 532 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 533 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 534 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 535 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 536 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 537 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 538 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 539 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 540 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 541 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 542 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 543 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 544 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 545 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 546 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 547 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 548 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 549 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 550 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 551 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 552 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 553 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 554 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 555 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 556 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 557 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 558 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 559 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 560 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 561 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 562 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 563 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 564 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 565 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 566 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo174_s20.cif b/soup/screen/mmcifs/denovo174_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..dee8837e8bf85e323af8cb69cdbd5cf223ca1dac --- /dev/null +++ b/soup/screen/mmcifs/denovo174_s20.cif @@ -0,0 +1,601 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 10 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 11 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 12 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 13 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 14 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 15 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 16 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 17 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 18 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 19 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 20 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 21 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 22 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 23 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 24 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 25 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 30 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 31 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 32 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 33 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 34 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 39 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 40 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 41 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 42 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 47 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 48 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 49 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 50 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 51 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 52 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 53 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 54 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 55 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 56 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 57 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 58 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 59 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 60 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 61 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 62 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 63 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 64 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 65 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 66 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 67 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 68 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 69 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 70 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 71 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 72 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 73 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 74 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 75 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 76 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 77 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 78 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 79 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 80 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 81 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 82 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 83 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 84 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 85 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 86 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 87 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 88 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 89 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 90 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 91 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 92 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 93 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 94 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 95 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 96 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 97 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 98 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 99 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 100 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 101 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 102 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 107 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 108 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 109 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 110 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 111 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 112 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 113 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 114 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 115 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 116 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 117 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 118 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 119 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 120 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 121 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 122 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 123 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 124 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 125 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 126 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 127 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 128 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 129 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 130 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 131 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 132 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 133 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 134 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 135 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 136 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 137 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 138 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 139 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 140 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 141 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 142 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 143 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 144 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 145 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 146 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 147 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 148 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 149 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 150 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 151 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 152 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 153 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 154 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 155 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 156 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 157 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 158 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 159 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 160 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 161 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 162 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 163 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 164 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 165 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 166 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 167 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 168 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 169 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 170 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 171 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 172 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 173 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 174 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 175 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 176 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 177 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 178 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 179 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 180 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 181 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 186 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 187 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 188 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 189 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 190 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 191 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 192 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 193 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 194 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 195 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 196 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 197 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 198 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 199 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 200 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 201 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 202 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 203 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 204 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 205 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 206 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 207 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 208 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 209 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 210 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 211 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 212 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 213 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 214 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 215 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 216 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 217 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 218 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 219 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 220 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 221 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 222 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 223 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 224 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 225 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 226 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 227 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 228 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 229 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 230 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 231 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 232 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 233 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 234 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 235 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 236 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 237 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 238 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 239 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 240 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 241 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 242 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 243 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 244 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 245 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 246 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 247 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 248 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 249 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 250 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 251 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 252 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 253 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 254 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 255 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 256 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 257 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 258 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 259 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 260 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 261 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 262 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 263 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 264 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 269 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 270 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 275 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 276 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 277 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 282 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 283 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 284 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 285 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 290 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 291 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 292 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 297 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 298 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 299 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 300 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 301 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 302 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 303 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 304 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 305 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 306 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 307 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 308 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 309 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 310 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 311 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 312 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 317 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 318 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 319 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 320 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 321 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 322 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 323 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 324 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 325 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 326 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 327 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 328 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 329 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 330 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 331 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 332 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 333 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 334 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 335 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 336 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 337 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 338 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 343 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 344 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 345 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 350 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 351 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 352 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 353 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 354 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 355 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 356 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 357 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 358 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 359 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 360 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 361 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 362 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 363 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 364 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 365 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 366 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 367 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 368 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 369 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 370 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 371 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 372 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 373 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 374 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 379 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 384 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 385 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 386 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 387 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 388 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 389 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 390 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 395 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 396 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 397 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 398 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 399 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 404 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 405 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 406 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 411 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 412 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 413 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 414 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 415 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 416 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 417 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 418 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 419 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 420 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 421 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 422 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 423 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 424 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 425 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 426 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 427 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 428 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 429 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 430 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 431 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 432 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 433 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 434 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 435 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 436 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 437 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 438 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 439 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 440 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 441 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 442 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 443 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 444 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 445 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 446 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 447 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 448 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 449 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 450 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 451 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 452 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 453 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 454 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 455 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 456 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 457 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 458 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 459 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 460 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 461 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 462 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 463 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 464 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 465 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 466 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 467 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 468 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 469 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 470 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 471 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 472 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 473 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 474 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 475 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 476 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 477 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 478 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 479 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 480 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 481 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 482 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 483 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 484 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 485 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 486 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 487 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 488 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 489 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 490 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 491 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 492 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 493 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 494 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 495 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 496 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 497 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 498 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 499 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 500 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 501 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 502 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 503 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 504 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 505 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 506 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 507 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 508 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 509 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 510 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 511 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 512 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 513 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 514 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 515 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 516 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 517 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 518 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 519 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 520 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 521 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 522 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 523 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 524 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 525 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 526 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 527 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 528 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 529 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 530 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 531 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 532 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 533 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 534 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 535 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 536 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 537 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 538 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 539 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 540 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 541 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 542 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 543 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 544 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 545 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 546 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 547 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 548 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 549 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 550 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 551 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 552 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 553 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 554 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 555 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 556 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 557 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 558 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 559 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 560 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 561 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 562 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 563 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 564 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 565 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 566 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 571 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 572 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 573 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 574 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 575 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 576 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 577 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 578 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 579 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 580 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 581 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 582 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 583 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 584 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 585 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo175_s20.cif b/soup/screen/mmcifs/denovo175_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..0acb380708b3f4b859eb93e070d009704ea7e321 --- /dev/null +++ b/soup/screen/mmcifs/denovo175_s20.cif @@ -0,0 +1,576 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 22 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 23 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 24 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 25 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 26 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 31 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 32 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 33 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 38 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 39 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 40 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 45 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 46 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 47 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 52 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 53 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 54 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 55 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 56 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 57 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 58 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 59 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 60 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 65 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 66 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 67 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 72 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 73 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 74 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 83 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 84 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 85 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 86 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 87 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 88 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 89 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 90 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 91 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 92 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 93 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 98 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 99 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 100 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 101 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 102 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 103 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 104 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 105 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 106 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 107 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 108 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 109 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 110 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 111 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 116 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 117 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 118 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 119 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 120 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 121 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 122 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 123 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 124 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 125 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 126 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 127 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 132 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 133 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 134 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 135 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 136 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 137 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 138 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 139 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 140 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 141 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 142 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 143 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 148 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 149 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 150 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 151 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 152 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 153 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 154 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 155 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 156 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 157 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 158 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 159 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 160 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 161 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 162 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 167 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 168 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 169 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 174 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 175 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 176 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 177 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 178 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 183 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 184 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 185 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 186 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 187 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 188 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 189 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 190 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 191 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 192 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 193 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 198 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 199 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 200 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 201 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 202 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 203 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 204 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 205 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 206 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 211 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 212 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 213 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 214 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 215 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 216 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 217 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 218 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 219 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 220 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 221 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 222 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 223 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 224 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 225 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 226 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 227 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 228 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 229 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 230 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 231 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 232 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 237 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 238 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 239 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 244 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 245 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 246 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 251 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 252 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 257 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 258 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 259 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 264 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 265 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 266 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 267 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 268 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 269 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 270 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 271 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 272 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 273 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 278 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 279 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 280 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 281 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 282 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 283 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 284 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 285 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 286 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 287 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 288 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 289 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 290 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 291 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 292 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 293 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 294 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 295 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 296 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 297 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 298 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 299 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 304 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 305 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 310 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 311 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 312 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 313 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 314 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 315 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 316 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 317 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 318 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 319 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 320 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 321 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 322 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 323 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 324 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 325 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 326 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 327 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 328 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 329 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 330 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 331 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 332 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 333 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 334 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 335 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 336 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 337 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 338 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 339 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 340 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 341 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 342 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 343 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 344 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 345 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 346 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 347 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 348 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 349 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 350 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 351 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 352 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 353 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 354 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 355 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 356 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 357 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 358 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 359 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 360 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 361 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 362 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 363 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 364 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 365 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 366 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 367 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 368 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 369 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 370 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 371 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 372 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 373 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 374 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 375 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 376 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 377 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 378 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 379 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 380 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 381 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 382 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 383 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 384 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 385 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 386 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 387 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 388 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 389 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 390 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 391 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 392 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 393 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 394 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 395 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 396 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 397 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 398 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 399 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 400 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 401 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 402 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 403 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 404 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 405 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 406 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 407 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 408 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 409 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 410 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 411 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 412 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 413 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 414 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 415 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 416 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 417 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 418 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 419 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 420 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 421 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 422 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 423 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 424 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 425 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 426 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 427 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 428 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 429 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 430 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 431 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 432 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 433 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 434 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 435 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 436 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 437 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 438 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 443 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 444 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 445 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 446 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 447 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 448 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 449 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 450 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 451 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 452 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 453 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 454 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 455 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 456 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 457 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 458 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 459 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 460 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 461 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 462 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 463 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 464 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 465 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 466 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 467 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 468 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 469 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 470 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 471 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 472 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 473 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 474 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 475 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 476 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 477 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 478 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 479 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 480 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 481 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 482 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 483 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 484 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 485 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 486 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 487 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 488 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 489 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 490 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 491 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 492 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 493 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 494 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 495 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 496 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 497 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 498 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 499 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 500 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 501 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 502 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 503 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 504 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 505 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 506 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 507 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 508 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 509 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 510 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 511 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 512 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 513 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 514 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 515 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 516 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 517 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 518 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 519 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 524 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 525 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 526 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 527 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 528 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 529 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 530 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 531 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 532 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 533 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 534 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 535 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 536 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 537 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 538 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 539 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 540 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 541 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 542 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 543 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 544 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 545 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 546 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 547 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 548 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 549 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 550 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 551 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 552 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 553 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 554 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 555 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 556 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 557 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 558 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 559 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 560 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo176_s20.cif b/soup/screen/mmcifs/denovo176_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..4c0dbe2975b6ac340153e46fc1af6c0cb4cc9cf5 --- /dev/null +++ b/soup/screen/mmcifs/denovo176_s20.cif @@ -0,0 +1,567 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 12 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 13 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 14 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 19 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 20 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 21 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 26 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 27 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 28 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 33 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 34 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 35 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 36 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 37 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 38 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 39 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 44 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 45 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 46 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 47 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 56 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 57 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 62 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 63 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 64 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 69 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 70 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 71 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 72 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 77 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 78 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 79 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 80 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 81 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 86 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 87 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 96 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 97 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 98 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 103 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 104 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 105 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 106 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 111 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 116 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 117 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 118 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 119 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 120 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 121 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 122 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 123 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 124 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 125 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 126 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 127 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 128 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 129 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 130 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 131 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 132 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 133 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 134 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 135 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 136 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 137 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 138 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 139 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 140 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 141 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 142 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 143 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 144 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 145 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 146 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 147 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 148 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 149 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 154 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 155 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 156 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 157 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 158 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 159 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 160 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 161 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 162 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 163 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 164 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 165 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 170 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 171 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 172 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 173 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 174 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 175 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 176 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 177 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 178 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 179 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 180 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 181 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 182 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 183 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 184 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 185 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 186 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 187 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 188 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 189 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 190 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 191 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 192 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 193 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 194 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 195 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 196 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 197 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 198 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 199 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 200 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 201 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 202 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 203 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 204 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 205 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 206 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 207 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 208 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 209 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 210 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 211 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 212 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 213 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 214 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 215 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 216 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 217 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 218 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 219 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 220 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 221 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 222 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 223 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 224 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 225 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 226 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 227 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 228 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 229 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 230 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 231 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 232 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 233 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 234 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 235 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 236 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 237 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 238 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 239 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 240 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 241 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 242 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 243 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 244 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 245 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 246 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 247 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 248 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 249 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 250 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 251 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 252 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 253 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 254 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 255 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 256 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 257 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 258 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 259 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 260 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 261 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 262 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 263 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 264 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 265 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 266 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 267 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 268 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 269 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 270 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 271 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 272 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 273 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 274 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 275 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 276 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 277 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 278 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 279 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 280 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 281 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 282 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 283 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 284 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 285 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 286 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 287 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 288 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 289 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 290 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 291 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 292 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 293 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 294 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 295 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 296 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 297 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 298 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 299 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 300 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 301 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 302 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 303 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 304 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 305 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 306 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 307 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 308 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 309 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 310 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 311 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 312 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 313 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 314 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 315 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 316 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 317 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 318 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 319 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 320 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 321 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 322 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 323 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 324 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 325 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 326 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 327 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 328 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 329 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 330 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 331 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 332 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 333 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 334 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 335 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 336 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 337 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 338 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 339 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 340 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 341 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 342 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 343 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 344 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 345 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 346 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 347 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 348 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 349 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 350 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 351 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 352 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 353 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 354 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 355 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 356 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 357 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 358 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 359 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 360 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 361 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 362 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 363 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 364 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 365 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 366 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 367 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 368 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 369 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 370 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 371 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 372 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 373 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 374 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 375 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 376 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 377 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 378 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 379 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 380 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 381 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 382 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 383 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 384 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 385 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 386 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 387 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 388 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 389 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 390 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 391 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 392 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 393 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 394 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 395 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 396 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 397 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 398 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 399 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 400 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 401 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 402 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 403 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 404 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 405 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 406 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 407 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 408 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 409 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 410 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 411 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 412 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 413 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 414 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 415 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 416 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 417 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 418 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 419 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 420 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 421 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 422 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 423 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 424 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 425 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 426 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 427 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 428 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 429 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 430 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 431 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 432 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 433 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 434 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 435 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 436 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 437 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 438 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 439 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 440 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 441 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 442 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 443 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 444 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 445 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 446 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 447 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 448 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 449 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 450 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 451 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 452 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 453 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 454 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 455 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 456 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 457 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 458 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 459 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 460 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 461 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 462 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 463 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 464 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 465 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 466 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 467 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 468 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 469 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 470 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 471 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 472 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 473 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 474 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 475 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 476 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 477 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 478 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 479 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 480 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 481 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 482 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 483 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 484 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 485 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 486 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 487 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 488 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 489 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 490 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 491 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 492 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 493 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 494 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 495 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 496 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 497 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 498 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 499 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 500 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 501 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 502 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 503 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 504 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 505 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 506 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 507 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 508 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 509 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 510 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 511 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 512 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 513 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 514 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 515 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 516 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 517 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 518 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 519 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 520 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 521 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 522 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 523 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 524 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 525 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 526 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 527 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 528 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 529 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 530 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 531 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 532 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 533 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 534 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 535 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 536 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 537 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 538 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 539 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 540 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 541 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 542 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 543 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 544 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 545 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 546 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 547 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 548 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 549 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 550 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 551 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo177_s20.cif b/soup/screen/mmcifs/denovo177_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..8b45a7ad6f2c87fb5b5ce10a1a41547028df7da2 --- /dev/null +++ b/soup/screen/mmcifs/denovo177_s20.cif @@ -0,0 +1,585 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 12 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 13 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 14 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 19 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 20 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 21 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 26 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 31 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 32 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 33 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 38 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 39 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 40 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 41 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 42 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 47 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 48 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 49 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 50 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 51 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 60 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 61 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 62 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 63 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 68 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 69 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 70 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 75 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 76 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 77 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 78 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 83 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 84 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 85 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 86 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 87 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 88 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 89 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 94 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 95 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 96 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 97 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 98 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 103 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 104 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 105 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 106 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 107 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 108 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 109 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 110 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 111 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 112 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 113 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 114 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 115 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 116 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 121 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 122 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 123 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 124 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 125 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 126 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 127 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 128 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 129 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 130 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 131 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 136 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 137 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 138 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 147 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 148 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 149 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 150 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 151 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 156 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 157 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 162 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 163 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 164 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 165 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 166 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 167 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 168 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 169 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 170 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 171 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 172 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 173 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 174 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 175 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 176 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 177 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 178 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 179 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 180 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 181 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 182 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 183 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 184 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 189 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 190 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 191 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 192 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 193 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 194 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 195 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 196 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 197 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 198 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 199 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 200 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 201 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 202 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 203 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 204 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 205 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 206 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 207 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 208 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 209 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 210 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 211 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 212 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 213 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 214 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 215 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 216 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 217 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 218 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 219 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 220 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 221 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 222 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 223 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 224 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 225 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 226 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 227 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 228 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 229 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 230 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 231 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 232 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 233 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 234 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 235 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 236 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 237 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 238 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 239 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 240 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 241 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 242 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 243 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 244 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 245 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 246 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 247 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 248 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 249 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 250 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 251 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 252 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 253 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 254 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 255 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 256 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 257 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 258 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 259 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 260 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 261 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 262 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 263 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 264 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 265 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 266 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 267 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 268 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 269 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 270 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 271 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 272 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 273 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 274 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 275 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 276 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 277 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 278 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 279 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 280 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 281 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 286 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 287 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 288 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 289 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 290 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 291 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 292 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 293 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 294 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 295 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 296 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 297 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 298 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 299 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 300 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 301 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 302 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 303 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 304 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 305 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 310 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 311 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 312 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 317 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 318 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 319 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 320 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 321 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 322 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 323 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 324 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 325 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 326 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 327 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 328 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 329 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 330 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 331 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 332 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 333 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 334 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 335 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 336 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 337 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 338 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 339 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 340 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 341 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 342 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 343 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 344 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 345 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 346 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 347 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 348 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 349 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 350 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 351 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 352 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 353 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 354 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 355 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 356 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 357 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 358 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 359 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 360 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 361 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 362 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 363 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 364 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 365 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 366 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 367 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 368 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 369 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 370 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 371 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 372 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 373 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 374 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 375 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 376 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 377 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 378 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 379 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 380 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 381 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 382 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 383 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 384 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 385 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 386 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 387 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 388 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 389 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 390 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 391 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 392 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 393 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 394 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 395 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 396 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 397 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 398 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 399 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 400 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 401 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 402 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 403 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 404 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 405 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 406 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 407 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 408 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 409 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 410 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 411 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 412 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 413 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 414 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 415 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 416 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 417 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 418 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 419 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 420 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 421 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 422 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 423 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 424 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 425 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 426 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 427 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 428 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 429 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 430 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 431 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 432 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 433 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 434 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 435 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 436 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 437 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 438 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 439 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 440 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 441 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 442 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 443 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 444 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 445 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 446 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 447 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 448 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 449 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 450 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 451 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 452 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 453 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 454 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 455 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 456 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 457 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 458 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 459 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 460 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 461 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 462 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 463 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 464 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 465 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 466 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 467 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 468 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 469 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 470 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 471 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 472 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 473 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 474 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 475 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 476 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 481 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 482 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 483 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 484 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 485 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 486 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 487 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 488 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 489 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 490 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 491 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 492 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 493 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 494 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 495 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 496 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 497 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 498 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 499 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 500 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 501 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 502 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 503 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 504 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 505 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 506 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 507 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 508 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 509 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 510 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 511 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 512 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 513 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 514 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 515 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 516 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 517 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 518 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 519 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 520 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 521 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 522 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 523 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 524 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 525 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 526 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 527 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 528 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 529 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 530 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 531 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 532 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 533 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 534 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 535 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 536 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 537 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 538 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 539 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 540 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 541 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 542 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 543 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 544 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 545 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 546 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 547 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 548 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 549 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 550 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 551 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 552 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 553 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 554 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 555 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 556 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 557 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 558 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 559 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 560 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 561 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 562 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 563 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 564 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 565 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 566 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 567 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 568 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 569 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo178_s20.cif b/soup/screen/mmcifs/denovo178_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..fe19e93599dfa73886cfcdf1f39ce3435a661586 --- /dev/null +++ b/soup/screen/mmcifs/denovo178_s20.cif @@ -0,0 +1,625 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 15 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 16 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 17 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 18 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 19 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 24 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 25 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 26 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 27 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 28 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 29 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 30 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 31 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 32 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 33 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 34 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 35 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 36 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 37 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 38 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 39 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 40 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 41 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 42 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 43 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 44 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 45 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 46 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 47 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 48 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 49 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 50 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 51 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 52 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 53 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 54 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 55 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 56 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 57 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 58 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 59 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 60 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 61 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 62 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 63 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 64 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 65 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 66 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 67 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 68 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 69 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 70 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 71 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 72 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 73 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 74 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 75 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 76 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 77 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 78 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 79 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 80 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 81 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 82 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 83 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 84 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 85 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 86 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 87 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 88 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 89 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 90 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 91 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 92 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 93 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 94 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 95 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 96 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 97 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 98 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 99 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 100 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 101 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 102 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 103 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 104 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 105 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 106 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 107 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 108 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 109 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 110 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 111 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 112 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 113 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 114 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 115 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 116 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 117 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 118 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 119 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 120 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 121 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 122 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 123 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 124 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 125 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 126 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 127 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 128 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 129 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 130 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 131 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 132 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 133 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 134 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 135 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 136 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 137 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 138 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 139 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 140 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 141 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 142 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 147 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 148 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 149 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 154 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 155 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 156 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 161 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 162 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 163 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 164 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 165 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 166 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 167 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 168 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 169 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 170 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 171 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 172 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 173 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 174 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 175 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 176 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 177 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 178 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 179 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 180 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 181 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 182 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 183 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 184 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 185 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 186 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 187 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 188 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 189 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 190 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 191 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 192 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 193 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 194 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 195 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 196 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 197 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 198 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 199 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 200 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 201 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 202 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 203 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 204 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 205 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 206 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 207 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 208 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 209 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 214 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 215 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 216 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 217 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 218 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 219 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 220 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 221 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 222 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 223 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 224 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 225 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 226 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 227 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 228 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 229 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 230 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 231 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 232 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 233 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 234 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 239 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 240 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 241 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 242 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 243 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 244 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 245 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 246 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 247 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 248 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 249 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 250 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 251 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 252 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 253 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 254 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 255 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 256 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 257 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 258 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 259 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 260 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 261 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 262 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 263 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 264 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 265 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 266 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 267 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 268 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 269 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 270 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 271 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 272 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 273 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 274 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 275 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 276 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 277 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 278 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 279 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 280 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 281 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 282 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 283 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 284 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 285 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 286 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 287 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 288 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 289 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 290 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 291 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 292 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 293 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 294 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 299 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 300 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 301 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 302 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 303 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 304 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 305 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 306 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 307 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 308 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 309 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 310 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 311 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 312 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 313 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 314 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 315 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 316 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 317 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 318 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 319 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 320 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 321 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 322 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 323 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 324 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 325 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 326 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 327 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 328 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 329 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 330 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 331 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 332 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 333 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 334 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 335 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 336 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 337 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 342 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 343 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 344 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 345 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 346 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 347 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 348 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 349 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 350 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 351 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 352 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 353 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 354 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 355 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 356 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 357 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 358 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 359 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 360 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 361 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 362 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 363 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 364 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 365 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 366 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 367 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 368 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 369 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 370 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 371 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 372 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 373 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 374 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 375 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 376 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 377 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 378 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 379 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 380 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 381 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 382 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 383 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 384 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 385 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 386 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 387 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 388 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 389 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 390 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 391 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 392 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 393 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 394 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 395 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 400 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 401 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 402 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 403 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 404 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 405 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 406 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 407 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 408 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 409 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 410 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 411 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 412 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 413 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 414 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 415 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 416 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 417 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 418 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 419 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 420 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 421 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 422 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 423 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 424 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 425 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 426 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 427 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 428 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 429 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 430 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 431 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 432 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 433 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 434 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 435 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 436 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 437 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 438 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 439 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 440 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 441 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 442 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 443 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 444 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 445 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 446 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 447 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 448 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 449 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 450 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 451 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 452 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 453 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 454 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 455 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 456 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 457 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 458 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 459 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 460 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 461 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 462 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 463 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 464 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 465 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 466 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 467 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 468 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 473 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 474 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 475 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 476 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 477 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 478 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 479 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 480 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 481 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 482 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 483 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 484 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 485 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 486 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 487 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 488 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 489 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 490 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 491 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 492 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 493 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 494 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 495 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 496 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 497 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 498 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 499 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 500 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 501 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 502 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 503 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 504 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 505 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 506 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 507 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 508 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 509 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 510 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 511 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 512 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 513 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 514 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 515 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 516 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 517 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 518 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 519 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 520 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 521 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 522 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 523 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 524 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 525 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 526 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 527 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 528 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 529 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 530 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 531 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 532 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 533 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 534 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 535 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 536 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 537 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 538 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 539 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 540 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 541 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 542 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 543 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 544 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 545 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 546 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 547 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 548 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 549 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 550 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 551 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 552 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 553 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 554 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 555 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 556 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 557 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 558 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 559 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 560 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 561 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 562 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 563 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 564 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 565 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 566 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 567 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 568 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 569 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 570 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 571 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 572 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 573 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 574 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 575 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 576 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 577 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 578 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 579 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 580 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 581 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 582 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 583 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 584 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 585 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 586 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 587 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 588 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 589 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 590 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 591 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 592 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 593 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 594 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 595 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 596 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 597 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 598 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 599 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 600 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 601 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 602 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 603 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 604 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 605 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 606 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 607 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 608 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 609 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo179_s20.cif b/soup/screen/mmcifs/denovo179_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d7a10e6d5c784359aa553081c50da2bf2b6d6527 --- /dev/null +++ b/soup/screen/mmcifs/denovo179_s20.cif @@ -0,0 +1,587 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 15 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 24 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 25 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 26 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 27 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 32 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 33 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 34 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 39 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 40 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 41 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 42 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 43 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 44 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 45 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 50 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 55 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 56 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 57 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 58 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 59 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 68 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 69 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 70 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 75 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 76 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 77 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 78 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 79 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 80 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 81 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 82 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 83 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 84 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 85 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 86 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 87 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 88 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 89 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 90 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 91 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 96 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 97 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 98 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 103 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 104 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 105 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 106 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 107 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 108 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 109 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 110 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 111 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 112 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 113 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 114 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 115 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 120 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 121 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 122 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 123 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 124 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 125 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 126 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 127 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 128 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 133 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 134 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 135 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 140 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 141 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 142 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 147 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 148 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 149 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 154 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 155 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 156 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 157 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 158 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 159 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 160 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 161 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 162 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 163 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 164 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 165 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 170 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 171 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 172 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 173 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 174 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 175 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 176 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 181 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 182 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 183 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 184 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 185 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 190 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 191 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 192 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 197 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 198 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 199 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 200 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 201 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 206 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 207 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 212 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 213 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 214 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 215 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 216 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 217 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 218 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 219 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 220 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 221 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 222 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 223 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 224 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 225 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 226 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 227 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 228 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 229 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 230 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 231 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 232 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 233 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 234 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 235 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 236 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 237 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 238 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 239 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 240 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 241 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 242 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 243 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 244 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 245 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 246 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 247 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 248 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 249 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 250 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 251 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 252 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 253 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 254 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 255 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 256 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 257 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 258 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 259 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 260 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 261 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 262 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 263 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 264 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 265 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 266 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 267 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 268 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 269 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 270 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 271 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 272 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 273 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 274 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 275 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 276 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 277 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 278 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 279 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 280 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 281 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 282 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 283 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 284 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 285 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 286 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 287 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 288 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 289 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 290 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 291 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 292 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 293 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 294 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 295 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 296 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 297 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 298 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 299 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 300 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 301 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 302 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 303 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 304 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 305 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 306 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 307 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 308 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 309 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 310 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 311 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 312 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 313 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 314 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 315 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 316 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 317 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 318 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 319 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 320 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 321 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 322 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 323 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 324 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 325 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 326 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 327 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 328 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 329 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 330 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 331 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 332 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 333 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 334 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 335 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 336 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 337 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 338 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 339 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 340 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 341 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 342 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 343 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 344 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 345 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 346 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 347 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 348 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 349 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 350 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 351 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 352 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 353 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 354 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 355 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 356 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 357 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 358 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 359 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 360 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 361 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 362 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 363 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 364 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 365 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 366 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 367 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 368 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 369 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 370 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 371 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 372 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 373 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 374 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 375 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 376 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 377 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 378 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 379 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 380 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 381 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 382 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 383 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 384 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 385 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 386 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 387 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 388 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 389 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 390 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 391 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 392 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 393 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 394 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 395 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 396 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 397 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 398 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 399 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 400 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 401 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 402 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 403 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 404 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 405 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 406 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 407 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 408 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 409 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 410 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 411 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 412 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 413 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 414 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 415 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 416 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 417 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 418 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 419 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 420 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 421 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 422 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 423 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 424 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 425 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 426 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 427 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 428 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 429 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 430 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 431 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 432 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 433 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 434 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 435 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 436 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 437 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 438 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 443 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 444 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 445 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 446 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 447 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 448 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 449 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 450 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 451 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 452 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 453 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 454 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 455 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 456 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 457 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 458 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 459 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 460 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 461 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 462 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 463 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 464 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 465 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 466 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 467 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 468 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 469 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 470 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 471 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 472 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 473 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 474 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 475 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 476 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 481 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 482 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 483 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 484 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 485 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 486 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 487 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 488 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 489 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 490 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 491 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 492 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 493 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 494 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 495 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 496 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 497 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 498 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 503 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 504 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 505 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 506 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 507 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 508 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 509 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 510 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 511 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 512 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 513 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 514 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 515 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 516 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 517 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 518 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 519 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 520 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 521 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 522 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 523 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 524 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 525 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 526 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 527 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 528 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 529 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 530 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 531 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 532 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 533 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 534 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 535 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 536 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 537 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 538 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 539 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 540 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 541 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 542 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 543 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 544 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 545 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 546 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 547 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 548 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 549 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 550 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 551 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 552 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 553 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 554 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 555 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 556 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 557 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 558 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 559 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 560 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 561 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 562 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 563 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 564 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 565 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 566 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 567 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 568 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 569 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 570 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 571 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo17_s20.cif b/soup/screen/mmcifs/denovo17_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..91b0a29675f061eb2e58e908eaabf3493fb68350 --- /dev/null +++ b/soup/screen/mmcifs/denovo17_s20.cif @@ -0,0 +1,615 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 10 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 11 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 12 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 13 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 14 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 15 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 16 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 17 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 18 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 19 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 24 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 25 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 26 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 31 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 32 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 33 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 38 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 39 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 40 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 41 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 42 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 47 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 48 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 49 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 54 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 55 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 60 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 61 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 62 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 67 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 68 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 69 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 74 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 75 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 76 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 77 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 78 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 83 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 84 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 85 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 86 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 87 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 92 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 93 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 94 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 103 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 104 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 105 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 110 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 111 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 112 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 113 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 114 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 115 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 116 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 117 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 118 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 119 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 120 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 125 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 126 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 127 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 128 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 129 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 130 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 131 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 132 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 133 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 134 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 135 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 136 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 137 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 138 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 139 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 140 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 141 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 142 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 143 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 148 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 149 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 150 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 151 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 156 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 157 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 158 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 159 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 160 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 165 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 166 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 167 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 168 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 169 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 170 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 171 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 172 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 173 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 174 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 175 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 176 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 177 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 178 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 183 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 184 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 185 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 186 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 187 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 188 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 193 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 194 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 195 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 196 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 197 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 198 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 199 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 200 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 201 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 206 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 207 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 208 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 209 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 210 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 211 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 212 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 213 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 214 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 215 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 216 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 217 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 218 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 219 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 220 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 221 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 222 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 223 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 224 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 225 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 226 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 227 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 228 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 229 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 230 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 235 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 236 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 237 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 242 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 243 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 244 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 245 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 246 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 247 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 248 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 249 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 250 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 251 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 252 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 253 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 254 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 255 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 256 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 257 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 258 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 259 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 264 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 265 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 266 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 267 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 268 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 269 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 270 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 271 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 272 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 273 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 278 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 279 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 280 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 281 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 282 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 283 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 284 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 285 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 286 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 287 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 288 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 289 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 290 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 291 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 292 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 293 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 294 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 295 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 296 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 297 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 298 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 299 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 300 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 301 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 302 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 303 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 304 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 305 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 306 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 307 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 308 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 309 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 310 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 311 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 312 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 317 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 318 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 319 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 324 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 325 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 326 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 327 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 328 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 329 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 330 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 331 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 332 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 333 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 334 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 335 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 336 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 337 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 338 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 339 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 340 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 341 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 342 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 347 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 348 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 349 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 350 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 351 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 352 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 353 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 354 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 355 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 356 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 357 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 358 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 359 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 360 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 361 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 362 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 363 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 364 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 365 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 366 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 367 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 368 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 369 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 370 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 371 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 372 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 373 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 374 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 379 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 384 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 385 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 386 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 387 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 388 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 389 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 390 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 391 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 392 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 393 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 394 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 395 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 396 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 401 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 402 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 403 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 408 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 409 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 410 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 411 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 412 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 413 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 414 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 415 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 416 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 417 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 418 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 419 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 420 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 421 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 422 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 423 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 424 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 425 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 426 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 427 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 428 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 429 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 430 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 431 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 432 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 433 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 434 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 435 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 436 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 437 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 438 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 439 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 440 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 441 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 442 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 443 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 444 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 445 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 446 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 447 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 448 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 449 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 450 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 451 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 452 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 453 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 454 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 455 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 456 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 457 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 458 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 459 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 460 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 461 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 462 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 467 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 468 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 469 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 470 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 471 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 472 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 473 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 478 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 479 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 480 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 481 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 482 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 483 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 484 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 485 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 486 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 487 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 488 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 489 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 490 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 491 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 492 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 493 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 494 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 495 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 496 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 497 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 498 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 499 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 500 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 501 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 502 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 503 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 504 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 505 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 506 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 507 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 508 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 509 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 510 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 511 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 512 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 513 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 514 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 515 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 516 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 517 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 518 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 519 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 520 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 521 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 522 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 523 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 524 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 525 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 526 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 527 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 528 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 529 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 530 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 531 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 532 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 533 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 534 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 535 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 536 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 537 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 538 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 539 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 540 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 541 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 542 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 543 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 544 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 545 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 546 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 547 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 548 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 549 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 550 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 555 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 556 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 557 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 558 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 559 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 560 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 561 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 562 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 563 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 564 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 565 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 566 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 567 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 568 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 569 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 570 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 571 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 572 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 573 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 574 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 575 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 576 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 577 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 578 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 579 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 580 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 581 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 582 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 583 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 584 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 585 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 586 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 587 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 588 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 589 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 590 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 591 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 592 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 593 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 594 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 595 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 596 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 597 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 598 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 599 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo180_s20.cif b/soup/screen/mmcifs/denovo180_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..5cb75480fcf36266426b9a3ad90e60b0f553c1d3 --- /dev/null +++ b/soup/screen/mmcifs/denovo180_s20.cif @@ -0,0 +1,579 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 14 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 15 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 16 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 21 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 22 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 23 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 24 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 25 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 30 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 31 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 32 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 33 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 34 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 35 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 36 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 37 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 38 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 39 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 40 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 41 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 42 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 43 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 44 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 45 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 46 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 47 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 48 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 49 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 50 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 55 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 56 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 57 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 58 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 59 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 64 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 65 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 66 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 71 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 72 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 73 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 74 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 75 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 80 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 81 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 82 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 83 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 84 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 85 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 86 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 87 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 88 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 89 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 90 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 91 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 92 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 93 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 94 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 95 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 96 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 97 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 98 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 99 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 100 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 101 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 102 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 103 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 104 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 105 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 106 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 111 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 112 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 113 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 118 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 119 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 120 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 121 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 122 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 123 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 124 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 125 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 130 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 131 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 132 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 133 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 134 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 135 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 136 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 137 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 138 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 139 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 140 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 145 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 150 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 151 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 152 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 153 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 154 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 155 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 156 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 157 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 158 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 159 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 160 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 161 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 162 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 163 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 168 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 169 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 170 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 171 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 172 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 173 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 174 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 179 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 180 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 181 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 186 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 187 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 188 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 189 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 190 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 195 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 196 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 197 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 202 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 207 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 208 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 209 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 210 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 211 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 212 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 213 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 214 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 215 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 216 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 217 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 218 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 219 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 220 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 221 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 222 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 223 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 224 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 225 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 226 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 227 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 228 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 229 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 230 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 231 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 232 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 233 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 234 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 235 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 236 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 237 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 238 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 239 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 240 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 241 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 242 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 243 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 244 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 245 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 246 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 247 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 248 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 249 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 250 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 251 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 252 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 253 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 254 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 255 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 256 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 257 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 258 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 259 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 260 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 261 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 262 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 263 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 264 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 265 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 266 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 267 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 268 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 269 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 270 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 271 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 272 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 273 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 274 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 275 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 276 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 277 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 278 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 279 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 280 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 281 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 282 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 283 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 284 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 285 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 286 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 287 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 288 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 289 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 290 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 291 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 292 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 293 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 294 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 295 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 296 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 297 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 298 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 299 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 300 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 301 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 302 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 303 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 304 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 305 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 306 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 307 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 308 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 309 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 310 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 311 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 316 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 317 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 318 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 323 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 324 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 325 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 326 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 327 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 328 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 329 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 330 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 331 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 332 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 333 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 334 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 335 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 336 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 337 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 338 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 339 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 340 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 341 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 342 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 343 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 344 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 345 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 346 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 347 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 348 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 349 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 350 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 351 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 352 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 353 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 354 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 355 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 356 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 357 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 358 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 359 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 360 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 361 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 362 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 363 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 368 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 369 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 370 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 371 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 372 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 373 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 374 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 375 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 376 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 377 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 378 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 379 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 380 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 381 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 382 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 383 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 384 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 385 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 386 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 387 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 388 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 389 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 390 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 391 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 392 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 393 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 398 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 399 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 400 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 401 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 402 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 403 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 404 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 409 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 410 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 411 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 412 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 413 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 414 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 415 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 416 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 417 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 418 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 419 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 420 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 421 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 422 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 423 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 424 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 425 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 426 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 427 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 428 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 429 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 430 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 431 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 432 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 433 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 434 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 435 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 436 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 437 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 438 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 443 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 444 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 445 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 446 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 447 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 448 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 449 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 450 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 451 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 452 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 453 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 454 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 455 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 456 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 457 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 458 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 459 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 460 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 461 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 462 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 463 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 464 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 465 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 466 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 467 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 468 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 469 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 470 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 471 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 472 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 473 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 474 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 475 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 476 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 477 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 478 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 479 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 480 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 481 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 482 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 483 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 484 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 485 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 486 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 487 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 488 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 489 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 490 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 491 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 492 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 493 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 494 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 495 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 496 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 497 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 498 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 499 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 500 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 501 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 502 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 503 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 504 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 505 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 506 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 507 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 508 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 509 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 510 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 511 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 512 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 513 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 514 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 515 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 516 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 517 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 518 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 519 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 520 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 521 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 522 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 523 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 524 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 525 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 526 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 527 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 528 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 533 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 534 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 535 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 536 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 537 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 538 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 539 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 540 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 541 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 542 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 543 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 544 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 545 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 546 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 547 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 548 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 549 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 550 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 551 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 552 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 553 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 554 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 555 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 556 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 557 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 558 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 559 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 560 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 561 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 562 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 563 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo181_s20.cif b/soup/screen/mmcifs/denovo181_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..958a20581fb99ec8be7785648df5c24f874cf149 --- /dev/null +++ b/soup/screen/mmcifs/denovo181_s20.cif @@ -0,0 +1,607 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 12 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 13 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 14 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 19 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 20 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 25 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 26 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 27 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 28 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 29 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 30 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 31 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 36 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 37 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 38 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 39 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 40 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 45 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 46 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 47 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 48 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 49 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 54 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 55 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 56 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 61 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 62 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 67 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 68 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 69 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 70 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 71 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 72 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 73 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 78 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 79 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 80 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 81 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 86 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 87 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 88 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 93 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 94 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 95 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 96 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 97 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 98 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 99 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 100 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 101 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 102 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 103 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 104 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 105 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 106 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 111 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 112 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 113 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 114 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 115 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 116 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 117 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 118 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 119 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 120 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 121 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 126 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 127 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 128 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 129 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 130 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 135 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 136 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 137 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 138 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 139 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 140 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 141 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 142 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 143 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 148 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 149 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 150 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 151 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 152 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 157 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 158 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 159 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 160 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 161 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 162 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 163 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 164 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 165 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 166 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 167 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 168 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 169 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 170 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 171 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 172 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 173 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 174 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 175 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 176 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 181 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 186 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 187 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 188 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 189 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 190 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 191 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 192 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 193 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 194 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 195 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 196 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 197 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 198 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 199 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 200 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 201 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 202 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 203 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 204 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 205 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 206 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 207 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 212 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 213 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 214 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 215 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 216 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 221 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 222 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 223 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 224 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 225 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 230 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 231 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 232 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 233 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 234 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 239 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 240 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 241 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 242 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 243 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 244 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 245 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 246 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 247 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 248 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 249 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 250 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 251 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 252 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 253 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 254 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 259 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 260 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 261 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 262 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 263 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 264 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 265 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 266 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 267 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 268 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 269 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 270 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 271 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 272 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 273 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 274 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 275 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 276 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 277 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 282 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 283 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 284 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 285 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 286 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 287 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 288 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 289 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 290 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 291 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 292 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 293 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 294 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 295 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 296 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 297 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 298 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 299 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 300 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 301 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 302 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 303 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 304 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 305 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 306 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 307 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 308 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 309 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 310 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 311 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 312 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 313 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 314 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 315 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 316 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 317 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 318 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 319 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 320 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 321 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 322 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 323 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 324 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 325 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 326 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 327 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 328 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 329 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 330 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 331 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 332 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 333 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 334 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 335 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 336 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 337 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 338 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 339 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 340 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 341 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 342 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 347 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 348 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 349 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 350 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 351 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 352 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 353 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 354 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 355 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 356 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 357 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 358 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 359 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 360 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 361 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 362 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 363 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 364 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 365 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 366 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 367 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 368 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 369 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 370 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 371 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 372 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 373 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 374 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 375 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 376 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 377 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 378 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 379 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 380 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 381 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 382 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 383 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 384 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 385 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 386 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 387 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 388 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 389 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 390 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 391 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 392 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 393 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 394 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 395 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 396 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 397 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 398 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 399 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 400 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 401 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 402 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 403 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 404 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 405 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 406 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 407 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 408 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 409 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 410 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 411 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 412 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 413 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 418 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 419 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 420 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 421 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 422 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 423 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 424 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 425 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 426 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 427 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 428 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 429 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 430 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 431 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 432 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 433 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 434 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 435 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 436 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 437 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 438 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 439 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 440 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 441 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 442 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 443 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 444 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 445 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 446 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 447 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 448 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 449 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 450 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 451 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 452 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 453 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 454 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 455 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 456 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 457 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 458 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 459 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 460 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 461 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 462 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 463 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 464 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 465 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 466 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 467 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 468 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 473 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 474 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 475 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 480 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 481 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 482 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 483 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 484 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 485 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 486 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 487 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 488 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 489 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 490 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 491 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 492 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 493 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 494 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 495 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 496 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 497 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 498 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 499 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 500 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 501 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 502 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 503 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 504 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 505 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 506 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 507 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 508 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 509 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 510 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 511 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 512 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 513 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 514 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 515 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 516 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 517 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 518 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 519 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 520 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 521 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 522 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 523 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 524 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 525 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 526 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 527 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 528 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 529 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 530 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 531 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 532 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 533 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 534 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 535 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 536 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 537 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 538 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 539 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 540 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 541 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 542 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 543 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 544 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 545 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 546 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 547 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 548 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 549 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 550 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 551 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 552 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 553 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 554 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 555 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 556 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 557 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 558 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 559 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 560 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 561 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 562 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 563 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 564 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 565 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 566 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 567 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 568 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 569 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 570 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 571 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 572 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 573 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 574 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 575 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 576 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 577 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 578 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 579 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 580 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 581 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 582 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 583 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 584 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 585 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 586 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 587 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 588 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 589 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 590 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 591 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo182_s20.cif b/soup/screen/mmcifs/denovo182_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e02c50263db4432b9532e142bd2647960c0bd593 --- /dev/null +++ b/soup/screen/mmcifs/denovo182_s20.cif @@ -0,0 +1,612 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 14 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 15 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 16 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 21 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 22 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 23 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 28 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 29 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 30 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 31 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 32 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 33 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 34 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 35 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 36 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 37 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 38 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 39 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 40 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 45 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 46 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 47 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 52 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 53 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 54 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 55 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 56 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 57 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 58 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 59 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 60 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 61 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 62 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 63 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 64 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 65 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 66 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 67 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 68 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 69 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 70 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 71 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 72 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 73 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 74 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 75 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 76 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 77 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 78 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 79 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 80 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 85 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 86 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 87 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 88 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 89 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 90 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 91 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 92 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 93 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 94 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 95 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 96 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 97 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 98 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 99 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 100 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 101 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 106 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 107 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 108 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 109 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 110 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 111 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 112 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 117 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 118 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 119 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 120 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 121 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 122 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 123 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 124 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 125 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 126 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 127 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 128 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 129 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 130 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 131 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 132 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 133 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 134 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 135 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 136 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 137 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 138 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 139 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 140 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 141 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 142 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 143 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 144 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 145 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 146 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 147 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 148 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 149 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 150 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 151 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 152 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 153 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 154 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 155 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 156 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 157 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 158 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 159 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 160 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 161 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 162 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 163 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 164 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 165 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 166 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 167 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 168 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 169 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 170 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 171 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 172 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 173 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 174 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 175 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 176 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 177 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 178 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 179 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 180 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 181 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 182 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 183 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 184 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 185 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 186 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 187 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 188 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 189 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 190 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 191 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 192 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 193 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 194 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 195 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 196 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 197 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 198 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 199 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 200 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 201 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 202 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 203 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 204 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 205 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 206 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 207 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 208 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 209 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 210 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 211 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 212 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 213 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 214 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 215 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 216 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 217 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 218 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 219 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 220 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 221 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 222 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 223 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 224 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 225 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 226 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 227 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 228 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 229 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 230 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 231 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 232 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 233 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 234 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 235 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 236 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 237 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 238 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 239 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 240 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 241 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 242 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 243 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 244 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 245 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 246 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 247 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 248 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 249 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 250 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 251 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 252 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 253 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 254 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 255 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 256 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 257 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 258 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 259 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 260 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 261 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 262 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 263 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 264 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 265 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 266 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 267 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 268 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 269 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 270 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 271 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 272 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 273 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 274 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 275 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 276 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 277 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 278 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 279 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 280 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 281 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 282 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 283 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 284 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 285 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 286 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 287 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 288 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 289 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 290 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 291 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 296 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 297 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 298 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 299 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 300 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 301 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 302 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 303 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 304 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 305 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 306 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 307 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 308 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 309 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 310 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 311 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 316 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 317 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 318 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 323 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 324 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 325 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 326 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 327 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 328 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 329 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 330 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 331 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 332 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 333 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 334 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 335 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 336 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 337 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 338 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 339 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 340 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 341 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 342 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 343 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 344 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 345 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 346 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 347 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 348 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 349 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 350 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 351 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 352 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 353 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 354 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 355 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 356 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 357 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 358 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 359 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 360 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 361 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 362 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 363 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 364 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 365 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 366 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 367 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 368 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 369 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 370 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 371 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 372 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 373 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 374 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 375 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 376 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 377 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 378 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 379 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 380 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 381 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 382 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 383 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 384 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 389 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 390 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 395 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 396 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 397 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 398 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 399 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 404 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 405 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 406 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 411 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 412 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 413 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 414 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 415 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 416 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 417 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 418 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 419 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 420 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 421 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 422 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 423 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 424 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 425 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 426 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 427 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 428 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 429 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 430 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 431 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 432 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 433 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 434 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 435 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 436 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 437 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 438 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 439 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 440 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 441 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 442 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 443 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 444 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 445 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 446 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 447 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 448 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 449 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 450 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 451 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 452 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 453 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 454 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 455 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 456 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 457 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 458 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 459 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 460 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 461 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 462 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 463 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 464 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 465 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 466 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 467 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 468 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 469 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 470 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 471 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 472 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 473 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 474 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 475 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 476 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 477 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 478 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 479 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 480 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 481 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 482 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 483 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 484 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 485 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 486 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 487 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 488 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 489 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 490 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 491 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 492 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 493 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 494 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 495 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 496 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 497 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 498 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 499 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 500 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 501 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 502 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 503 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 504 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 505 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 506 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 507 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 508 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 509 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 510 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 511 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 512 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 513 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 514 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 515 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 516 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 517 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 518 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 519 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 520 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 521 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 522 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 523 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 524 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 525 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 526 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 527 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 528 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 529 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 530 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 531 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 532 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 533 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 534 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 535 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 536 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 537 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 538 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 539 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 540 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 541 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 542 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 543 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 544 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 545 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 546 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 547 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 548 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 549 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 550 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 551 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 552 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 553 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 554 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 555 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 556 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 557 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 558 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 559 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 560 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 561 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 562 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 563 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 564 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 565 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 566 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 567 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 568 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 569 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 570 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 571 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 572 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 573 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 574 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 575 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 576 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 577 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 578 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 579 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 580 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 581 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 582 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 583 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 584 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 585 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 586 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 587 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 588 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 589 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 590 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 591 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 592 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 593 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 594 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 595 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 596 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo183_s20.cif b/soup/screen/mmcifs/denovo183_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2dcfe7f44d9787705175bec698d3cb02425e4930 --- /dev/null +++ b/soup/screen/mmcifs/denovo183_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 17 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 18 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 23 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 28 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 29 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 30 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 35 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 36 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 37 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 38 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 43 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 44 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 45 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 50 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 51 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 52 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 57 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 58 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 63 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 64 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 65 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 70 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 71 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 72 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 77 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 78 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 79 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 80 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 81 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 82 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 83 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 92 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 93 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 98 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 99 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 100 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 105 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 106 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 107 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 112 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 113 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 114 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 115 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 120 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 125 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 126 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 127 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 128 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 133 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 134 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 139 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 140 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 141 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 142 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 147 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 148 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 149 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 150 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 151 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 156 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 157 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 158 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 159 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 160 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 161 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 162 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 163 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 164 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 165 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 166 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 167 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 168 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 169 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 170 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 171 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 172 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 173 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 174 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 175 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 176 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 181 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 186 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 187 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 188 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 189 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 190 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 191 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 192 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 193 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 194 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 195 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 196 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 197 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 198 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 199 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 200 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 201 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 202 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 203 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 204 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 205 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 206 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 207 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 208 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 209 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 210 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 211 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 212 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 213 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 214 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 215 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 216 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 217 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 218 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 219 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 220 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 221 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 222 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 223 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 224 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 225 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 226 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 227 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 228 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 229 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 230 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 231 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 232 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 233 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 234 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 235 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 236 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 237 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 238 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 239 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 240 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 241 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 242 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 243 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 244 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 245 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 246 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 247 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 252 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 253 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 254 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 255 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 256 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 257 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 258 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 259 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 260 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 261 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 262 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 263 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 264 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 265 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 266 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 267 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 268 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 269 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 274 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 275 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 276 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 277 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 278 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 279 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 280 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 281 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 282 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 283 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 284 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 285 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 286 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 287 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 288 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 289 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 290 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 291 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 292 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 293 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 294 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 295 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 296 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 297 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 298 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 299 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 300 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 301 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 302 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 303 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 304 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 305 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 306 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 307 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 308 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 309 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 310 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 311 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 312 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 313 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 314 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 315 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 316 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 317 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 318 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 319 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 324 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 325 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 326 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 327 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 328 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 329 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 330 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 331 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 332 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 333 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 334 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 335 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 336 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 337 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 338 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 339 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 340 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 341 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 342 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 343 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 344 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 345 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 346 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 347 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 348 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 349 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 350 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 351 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 352 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 353 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 354 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 355 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 356 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 357 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 358 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 359 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 360 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 361 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 362 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 363 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 364 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 365 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 366 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 367 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 368 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 369 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 370 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 371 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 372 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 373 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 374 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 375 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 376 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 377 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 378 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 379 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 380 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 381 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 382 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 383 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 384 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 385 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 386 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 387 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 388 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 389 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 390 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 391 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 392 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 393 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 394 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 395 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 396 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 397 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 398 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 399 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 400 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 401 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 402 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 403 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 404 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 405 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 406 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 407 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 408 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 409 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 410 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 411 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 412 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 413 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 414 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 415 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 416 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 417 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 418 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 419 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 420 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 421 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 422 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 423 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 424 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 425 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 426 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 427 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 428 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 429 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 430 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 431 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 432 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 433 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 434 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 435 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 436 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 437 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 438 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 439 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 440 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 441 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 442 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 447 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 448 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 449 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 450 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 451 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 452 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 453 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 454 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 455 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 456 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 457 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 458 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 459 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 460 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 461 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 462 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 463 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 464 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 465 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 466 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 467 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 468 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 469 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 470 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 471 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 472 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 473 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 474 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 475 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 476 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 477 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 478 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 479 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 480 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 481 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 482 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 483 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 484 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 485 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 486 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 487 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 488 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 489 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 490 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 491 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 492 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 493 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 494 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 495 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 496 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 497 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 498 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 499 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 500 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 501 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 502 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 503 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 504 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 505 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 506 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 507 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 508 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 509 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 510 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 511 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 512 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 513 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 514 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 515 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 516 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 517 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 518 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 519 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 520 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 521 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 522 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 523 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 524 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 525 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 526 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 527 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 528 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 529 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 530 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 531 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 532 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 533 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 534 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 535 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 536 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 537 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 538 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 539 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 540 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 541 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 542 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 543 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 548 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 549 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 554 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 555 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 556 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 561 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 562 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 563 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 564 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 565 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 566 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 567 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 568 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 569 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 570 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 571 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 572 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 573 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 574 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 575 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 576 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 577 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo184_s20.cif b/soup/screen/mmcifs/denovo184_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2b4a18d91e432d3892f353894525b54ee5e9abd9 --- /dev/null +++ b/soup/screen/mmcifs/denovo184_s20.cif @@ -0,0 +1,600 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 13 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 14 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 15 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 20 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 21 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 22 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 23 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 24 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 29 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 30 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 31 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 36 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 37 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 38 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 43 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 44 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 49 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 50 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 51 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 56 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 57 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 58 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 63 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 64 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 69 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 70 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 71 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 72 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 73 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 78 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 83 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 84 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 89 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 90 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 91 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 92 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 93 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 94 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 95 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 96 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 97 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 98 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 99 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 100 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 101 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 102 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 103 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 104 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 105 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 106 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 107 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 108 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 113 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 114 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 115 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 116 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 117 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 118 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 119 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 120 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 121 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 122 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 123 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 124 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 125 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 126 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 127 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 128 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 129 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 130 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 131 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 132 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 133 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 138 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 139 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 140 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 145 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 146 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 147 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 148 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 149 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 150 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 151 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 152 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 153 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 154 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 155 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 156 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 157 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 162 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 163 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 164 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 165 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 170 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 171 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 172 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 177 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 178 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 179 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 184 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 185 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 186 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 187 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 188 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 189 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 190 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 191 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 192 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 193 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 198 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 199 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 200 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 205 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 206 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 207 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 208 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 209 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 210 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 211 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 212 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 213 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 214 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 215 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 216 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 217 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 218 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 219 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 220 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 221 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 222 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 223 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 224 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 225 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 226 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 227 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 228 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 237 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 242 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 243 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 244 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 245 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 246 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 251 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 252 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 253 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 254 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 259 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 260 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 261 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 262 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 263 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 264 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 265 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 266 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 267 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 268 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 269 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 270 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 271 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 272 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 273 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 274 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 275 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 276 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 277 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 278 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 279 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 280 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 281 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 286 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 287 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 288 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 289 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 290 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 291 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 292 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 293 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 294 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 295 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 296 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 297 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 298 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 299 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 300 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 301 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 302 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 303 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 304 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 305 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 306 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 307 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 308 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 309 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 310 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 311 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 312 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 313 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 314 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 315 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 316 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 317 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 318 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 319 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 320 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 321 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 322 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 323 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 324 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 325 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 326 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 327 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 328 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 329 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 330 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 331 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 332 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 333 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 334 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 335 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 336 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 337 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 338 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 339 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 340 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 341 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 342 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 343 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 344 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 345 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 346 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 347 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 348 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 349 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 350 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 351 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 352 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 353 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 354 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 355 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 356 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 357 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 358 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 359 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 360 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 361 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 362 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 363 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 364 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 365 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 366 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 367 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 368 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 369 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 370 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 375 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 376 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 377 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 378 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 379 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 380 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 381 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 382 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 383 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 384 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 389 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 390 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 391 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 392 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 393 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 394 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 395 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 396 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 397 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 398 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 399 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 400 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 401 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 402 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 403 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 404 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 405 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 406 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 407 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 408 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 409 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 410 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 411 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 412 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 413 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 414 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 415 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 416 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 417 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 418 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 419 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 420 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 421 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 422 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 423 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 424 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 425 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 426 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 427 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 428 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 429 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 430 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 431 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 432 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 433 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 434 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 435 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 436 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 437 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 438 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 439 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 440 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 441 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 442 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 443 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 444 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 445 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 446 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 447 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 448 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 449 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 450 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 451 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 452 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 453 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 454 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 455 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 456 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 457 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 458 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 459 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 460 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 461 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 462 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 463 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 464 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 465 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 466 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 467 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 468 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 469 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 470 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 471 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 472 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 473 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 478 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 479 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 480 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 481 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 482 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 483 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 484 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 485 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 486 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 487 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 488 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 489 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 490 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 491 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 492 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 493 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 494 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 495 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 496 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 497 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 498 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 499 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 500 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 501 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 502 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 503 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 504 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 505 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 506 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 507 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 508 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 509 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 510 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 511 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 512 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 513 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 514 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 515 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 516 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 517 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 518 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 519 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 520 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 521 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 522 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 523 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 524 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 525 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 526 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 527 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 528 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 529 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 530 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 531 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 532 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 533 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 534 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 535 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 536 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 537 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 538 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 539 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 540 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 541 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 542 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 543 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 544 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 545 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 546 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 547 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 548 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 549 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 550 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 555 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 556 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 557 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 558 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 559 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 560 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 561 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 562 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 563 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 564 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 565 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 566 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 567 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 568 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 569 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 570 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 571 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 572 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 573 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 574 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 575 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 576 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 577 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 578 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 579 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 580 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 581 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 582 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 583 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 584 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo185_s20.cif b/soup/screen/mmcifs/denovo185_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f5f0314efa5233dc087f0b88085dd5137b9181ba --- /dev/null +++ b/soup/screen/mmcifs/denovo185_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 20 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 21 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 22 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 27 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 32 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 33 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 34 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 35 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 40 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 41 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 46 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 47 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 48 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 49 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 50 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 51 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 52 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 53 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 54 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 55 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 60 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 61 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 62 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 63 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 64 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 65 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 66 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 67 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 68 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 73 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 74 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 75 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 76 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 77 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 78 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 79 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 80 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 81 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 82 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 87 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 88 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 89 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 90 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 91 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 96 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 97 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 102 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 103 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 104 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 105 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 106 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 111 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 112 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 113 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 114 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 115 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 120 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 125 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 126 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 127 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 128 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 129 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 130 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 131 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 132 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 133 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 134 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 135 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 136 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 137 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 138 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 139 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 140 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 141 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 142 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 143 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 148 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 149 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 150 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 151 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 152 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 157 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 158 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 159 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 164 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 165 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 166 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 167 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 168 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 169 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 170 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 171 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 172 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 173 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 174 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 175 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 176 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 177 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 178 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 179 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 180 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 181 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 182 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 183 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 184 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 185 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 186 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 187 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 188 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 189 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 194 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 195 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 196 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 197 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 198 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 199 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 200 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 201 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 202 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 203 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 204 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 205 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 206 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 207 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 208 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 209 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 210 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 211 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 212 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 213 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 214 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 219 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 220 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 221 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 226 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 227 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 228 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 233 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 234 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 239 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 240 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 241 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 242 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 243 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 244 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 245 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 246 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 247 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 248 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 249 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 254 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 255 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 256 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 257 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 258 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 259 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 260 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 265 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 266 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 267 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 268 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 269 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 278 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 279 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 280 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 281 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 282 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 283 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 284 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 285 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 286 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 287 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 288 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 289 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 290 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 291 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 292 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 293 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 294 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 295 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 296 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 297 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 298 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 299 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 300 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 301 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 302 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 303 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 304 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 305 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 306 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 307 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 308 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 309 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 310 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 311 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 312 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 313 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 314 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 315 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 316 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 317 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 318 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 319 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 320 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 321 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 322 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 323 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 324 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 325 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 326 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 327 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 328 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 329 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 330 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 331 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 332 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 333 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 334 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 335 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 336 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 337 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 338 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 339 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 340 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 341 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 342 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 343 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 344 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 345 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 346 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 347 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 348 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 349 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 350 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 351 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 352 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 353 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 354 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 355 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 356 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 357 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 358 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 359 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 360 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 361 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 362 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 363 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 364 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 365 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 366 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 367 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 368 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 369 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 370 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 371 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 372 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 373 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 374 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 375 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 376 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 377 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 378 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 379 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 380 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 381 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 382 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 383 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 384 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 385 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 386 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 387 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 388 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 389 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 390 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 391 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 392 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 393 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 394 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 399 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 400 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 401 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 402 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 403 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 404 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 405 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 406 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 407 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 408 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 409 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 410 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 411 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 412 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 413 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 414 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 415 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 416 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 417 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 418 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 419 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 420 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 421 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 422 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 423 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 424 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 425 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 426 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 427 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 428 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 429 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 430 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 431 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 432 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 433 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 434 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 435 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 436 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 437 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 438 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 439 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 440 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 441 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 442 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 443 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 444 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 445 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 446 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 447 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 448 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 449 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 450 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 451 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 452 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 453 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 454 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 455 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 456 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 457 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 458 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 459 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 460 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 461 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 462 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 463 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 464 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 465 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 466 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 467 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 468 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 469 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 470 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 471 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 472 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 473 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 474 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 475 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 476 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 477 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 478 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 479 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 480 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 481 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 482 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 483 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 484 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 485 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 486 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 487 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 488 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 489 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 490 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 491 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 492 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 493 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 494 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 495 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 496 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 497 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 498 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 499 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 500 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 501 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 502 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 503 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 504 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 505 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 506 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 507 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 508 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 509 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 510 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 511 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 512 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 513 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 514 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 515 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 516 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 517 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 518 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 519 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 520 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 521 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 522 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 523 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 524 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 525 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 526 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 527 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 528 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 529 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 530 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 531 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 532 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 533 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 534 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 535 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 536 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 537 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 538 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 539 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 540 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 545 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 546 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 547 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 548 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 549 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 554 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 555 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 556 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 557 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 558 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 559 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 560 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 561 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 562 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 563 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 564 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 565 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 566 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 567 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 568 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 569 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 570 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 571 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 572 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 573 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 574 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 575 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 576 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 577 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo186_s20.cif b/soup/screen/mmcifs/denovo186_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e57c8f8c13811e7e1efd94568020a2ffd7ae5ffa --- /dev/null +++ b/soup/screen/mmcifs/denovo186_s20.cif @@ -0,0 +1,583 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 13 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 14 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 23 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 24 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 25 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 26 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 27 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 32 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 33 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 38 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 39 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 40 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 41 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 42 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 43 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 44 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 45 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 46 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 47 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 48 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 49 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 50 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 51 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 52 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 53 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 54 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 55 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 56 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 57 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 58 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 59 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 60 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 61 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 62 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 63 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 64 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 65 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 66 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 67 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 72 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 73 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 74 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 75 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 76 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 77 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 78 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 83 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 84 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 85 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 86 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 87 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 88 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 89 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 94 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 99 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 100 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 101 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 102 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 103 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 104 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 105 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 106 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 107 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 108 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 109 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 110 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 115 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 124 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 125 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 126 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 127 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 128 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 133 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 134 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 135 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 140 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 141 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 142 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 143 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 144 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 145 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 146 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 147 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 148 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 149 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 150 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 151 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 152 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 153 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 154 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 155 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 156 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 157 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 158 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 159 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 160 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 161 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 162 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 163 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 164 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 165 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 170 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 171 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 172 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 173 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 174 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 175 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 176 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 177 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 178 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 179 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 180 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 181 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 182 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 183 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 184 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 185 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 186 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 187 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 188 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 189 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 190 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 191 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 192 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 193 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 194 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 195 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 196 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 197 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 198 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 199 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 200 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 201 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 202 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 203 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 204 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 205 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 206 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 207 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 208 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 209 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 210 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 211 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 212 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 213 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 214 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 215 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 216 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 217 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 218 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 219 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 220 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 221 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 222 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 223 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 224 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 225 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 226 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 227 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 228 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 229 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 230 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 231 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 232 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 233 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 234 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 235 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 236 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 237 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 238 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 239 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 240 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 241 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 242 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 243 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 244 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 245 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 246 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 247 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 248 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 249 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 250 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 251 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 252 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 253 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 254 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 255 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 256 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 257 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 258 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 259 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 260 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 261 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 262 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 263 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 264 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 265 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 266 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 267 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 268 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 269 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 270 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 271 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 272 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 273 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 274 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 275 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 276 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 277 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 278 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 279 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 280 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 281 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 282 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 283 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 284 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 285 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 286 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 287 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 288 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 289 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 290 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 291 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 292 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 293 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 294 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 295 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 296 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 297 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 298 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 299 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 300 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 301 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 302 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 303 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 304 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 305 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 306 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 307 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 308 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 309 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 310 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 311 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 312 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 313 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 314 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 315 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 316 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 317 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 318 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 319 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 320 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 321 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 322 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 323 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 324 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 325 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 326 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 327 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 328 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 329 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 330 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 331 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 332 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 333 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 334 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 335 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 336 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 337 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 338 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 339 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 340 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 341 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 342 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 343 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 344 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 345 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 346 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 347 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 348 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 349 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 350 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 351 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 352 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 353 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 354 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 355 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 356 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 357 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 358 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 359 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 360 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 361 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 362 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 363 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 368 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 369 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 370 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 371 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 372 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 373 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 374 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 375 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 376 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 377 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 378 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 379 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 380 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 381 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 382 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 383 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 384 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 385 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 386 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 387 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 388 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 389 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 390 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 391 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 392 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 393 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 394 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 399 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 400 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 401 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 402 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 403 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 404 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 405 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 406 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 407 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 408 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 409 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 410 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 411 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 412 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 413 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 414 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 415 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 416 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 417 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 418 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 419 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 420 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 421 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 422 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 423 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 424 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 425 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 426 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 427 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 428 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 429 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 430 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 431 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 432 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 433 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 434 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 435 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 436 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 437 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 438 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 439 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 440 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 441 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 442 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 443 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 444 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 445 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 446 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 447 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 448 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 449 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 450 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 451 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 452 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 453 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 454 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 455 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 456 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 457 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 458 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 459 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 460 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 461 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 462 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 463 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 464 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 465 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 466 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 467 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 468 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 469 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 470 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 471 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 472 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 473 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 474 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 475 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 476 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 477 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 478 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 479 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 480 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 481 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 482 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 483 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 484 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 485 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 486 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 487 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 488 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 489 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 490 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 491 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 492 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 493 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 494 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 495 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 496 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 497 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 498 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 499 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 500 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 501 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 502 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 503 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 504 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 505 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 506 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 507 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 508 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 509 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 510 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 511 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 512 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 513 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 514 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 515 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 516 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 517 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 518 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 519 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 520 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 521 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 522 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 523 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 524 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 525 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 526 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 527 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 528 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 529 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 530 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 531 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 532 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 533 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 534 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 535 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 536 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 537 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 538 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 539 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 540 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 541 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 542 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 543 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 544 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 545 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 546 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 547 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 548 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 549 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 550 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 551 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 552 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 553 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 554 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 555 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 556 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 557 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 558 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 559 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 560 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 561 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 562 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 563 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 564 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 565 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 566 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 567 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo187_s20.cif b/soup/screen/mmcifs/denovo187_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..adaa437058dccdaac2c0391a18133b4f9e6c7756 --- /dev/null +++ b/soup/screen/mmcifs/denovo187_s20.cif @@ -0,0 +1,595 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 13 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 14 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 15 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 16 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 17 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 18 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 19 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 24 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 25 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 26 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 31 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 36 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 37 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 38 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 47 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 48 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 49 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 50 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 51 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 56 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 57 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 58 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 63 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 64 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 65 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 70 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 71 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 72 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 77 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 78 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 79 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 84 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 85 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 86 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 87 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 88 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 93 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 94 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 95 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 100 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 101 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 102 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 103 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 104 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 109 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 110 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 111 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 112 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 117 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 118 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 119 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 124 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 125 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 126 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 127 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 128 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 129 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 130 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 131 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 132 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 133 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 134 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 135 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 136 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 137 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 138 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 139 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 140 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 141 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 146 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 147 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 148 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 149 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 150 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 151 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 152 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 153 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 154 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 155 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 156 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 157 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 162 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 163 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 168 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 169 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 170 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 171 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 172 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 173 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 174 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 179 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 180 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 181 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 186 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 187 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 188 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 189 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 190 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 191 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 192 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 193 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 198 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 199 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 204 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 205 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 206 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 207 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 208 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 209 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 210 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 211 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 212 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 213 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 214 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 219 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 220 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 221 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 222 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 223 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 224 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 225 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 226 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 227 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 228 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 229 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 230 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 231 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 232 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 233 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 234 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 235 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 240 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 241 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 242 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 247 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 248 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 249 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 250 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 251 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 252 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 253 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 254 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 255 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 256 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 257 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 258 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 259 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 260 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 261 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 262 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 263 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 264 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 265 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 266 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 267 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 268 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 269 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 270 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 271 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 272 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 273 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 274 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 275 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 276 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 277 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 278 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 279 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 280 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 281 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 282 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 287 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 288 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 289 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 290 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 291 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 292 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 293 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 294 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 295 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 296 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 297 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 298 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 299 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 300 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 301 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 302 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 303 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 304 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 305 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 306 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 307 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 308 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 309 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 310 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 311 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 312 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 313 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 314 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 315 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 316 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 317 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 318 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 319 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 320 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 321 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 322 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 323 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 324 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 329 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 330 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 331 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 332 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 333 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 334 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 335 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 336 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 337 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 338 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 339 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 340 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 341 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 342 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 343 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 344 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 345 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 346 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 347 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 348 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 349 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 350 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 351 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 352 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 353 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 354 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 355 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 356 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 357 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 358 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 359 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 360 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 361 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 362 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 363 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 364 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 365 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 366 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 367 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 368 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 369 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 370 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 371 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 372 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 373 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 374 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 375 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 376 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 377 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 378 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 379 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 380 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 381 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 382 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 383 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 384 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 385 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 386 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 387 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 388 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 389 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 390 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 391 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 392 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 393 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 398 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 399 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 400 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 401 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 402 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 403 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 404 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 405 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 406 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 407 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 408 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 409 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 410 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 411 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 412 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 413 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 414 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 415 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 416 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 417 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 418 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 419 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 420 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 421 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 422 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 423 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 424 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 425 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 426 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 427 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 428 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 429 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 430 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 431 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 432 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 433 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 434 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 435 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 436 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 437 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 438 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 439 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 440 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 441 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 442 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 443 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 444 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 445 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 446 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 447 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 448 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 449 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 450 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 451 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 452 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 453 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 454 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 455 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 456 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 457 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 458 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 459 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 460 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 461 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 462 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 463 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 464 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 465 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 466 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 467 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 468 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 469 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 470 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 471 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 472 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 473 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 474 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 475 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 476 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 477 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 478 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 479 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 480 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 481 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 482 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 483 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 484 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 485 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 486 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 487 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 488 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 489 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 490 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 491 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 492 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 493 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 494 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 495 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 496 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 497 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 498 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 499 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 500 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 501 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 502 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 503 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 504 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 505 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 506 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 507 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 508 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 509 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 510 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 511 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 512 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 513 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 514 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 515 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 516 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 517 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 518 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 519 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 520 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 521 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 522 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 523 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 524 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 525 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 526 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 527 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 528 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 529 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 530 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 531 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 532 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 533 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 534 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 535 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 536 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 537 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 538 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 539 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 540 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 541 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 542 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 543 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 544 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 545 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 546 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 547 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 548 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 549 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 550 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 551 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 552 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 553 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 554 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 555 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 556 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 557 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 558 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 559 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 560 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 561 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 562 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 563 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 564 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 565 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 566 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 567 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 568 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 569 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 570 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 571 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 572 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 573 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 574 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 575 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 576 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 577 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 578 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 579 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo188_s20.cif b/soup/screen/mmcifs/denovo188_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..1f0ff3cde98047970a5f2fa06245474389c2649e --- /dev/null +++ b/soup/screen/mmcifs/denovo188_s20.cif @@ -0,0 +1,594 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 14 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 15 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 16 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 17 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 18 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 23 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 24 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 25 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 26 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 31 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 32 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 33 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 34 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 35 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 36 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 37 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 42 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 43 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 48 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 53 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 54 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 55 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 56 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 57 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 62 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 63 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 64 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 65 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 66 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 71 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 72 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 73 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 74 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 75 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 80 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 81 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 82 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 83 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 84 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 85 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 86 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 87 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 88 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 93 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 94 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 95 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 96 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 97 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 98 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 99 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 100 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 101 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 102 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 103 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 104 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 105 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 106 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 107 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 108 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 109 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 110 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 115 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 116 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 117 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 118 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 119 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 120 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 121 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 122 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 123 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 124 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 129 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 130 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 131 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 136 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 137 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 138 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 143 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 144 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 145 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 146 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 147 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 148 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 149 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 150 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 151 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 152 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 153 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 154 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 155 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 156 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 157 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 158 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 159 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 160 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 161 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 162 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 163 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 164 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 165 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 166 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 167 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 172 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 173 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 174 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 175 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 176 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 177 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 178 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 179 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 180 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 181 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 182 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 183 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 184 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 189 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 190 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 191 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 192 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 193 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 194 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 195 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 196 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 197 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 198 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 199 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 200 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 201 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 202 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 203 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 204 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 205 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 206 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 207 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 208 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 209 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 210 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 211 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 212 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 213 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 214 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 215 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 216 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 217 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 218 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 219 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 220 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 221 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 222 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 223 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 224 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 225 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 226 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 227 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 228 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 229 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 230 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 231 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 232 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 233 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 234 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 235 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 236 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 237 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 238 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 239 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 240 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 241 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 242 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 243 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 244 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 245 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 246 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 247 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 248 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 249 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 250 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 251 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 252 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 253 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 254 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 255 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 256 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 257 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 258 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 259 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 260 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 261 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 262 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 263 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 264 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 265 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 266 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 267 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 268 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 269 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 270 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 271 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 272 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 273 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 274 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 275 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 276 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 277 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 278 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 279 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 280 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 281 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 282 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 283 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 284 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 285 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 286 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 287 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 288 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 289 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 290 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 291 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 292 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 293 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 294 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 295 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 296 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 297 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 298 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 299 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 300 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 301 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 302 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 303 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 304 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 305 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 306 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 307 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 308 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 309 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 310 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 311 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 312 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 313 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 314 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 315 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 316 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 317 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 318 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 319 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 320 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 321 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 322 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 323 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 324 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 325 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 326 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 327 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 328 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 329 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 330 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 335 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 336 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 337 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 342 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 343 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 344 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 345 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 346 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 347 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 348 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 349 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 350 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 351 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 352 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 353 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 354 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 355 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 356 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 357 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 358 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 359 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 360 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 361 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 362 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 363 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 364 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 365 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 366 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 367 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 368 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 369 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 370 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 375 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 376 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 377 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 378 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 379 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 380 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 381 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 382 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 383 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 384 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 385 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 386 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 387 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 388 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 389 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 390 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 391 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 392 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 393 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 394 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 395 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 396 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 397 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 398 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 399 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 400 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 401 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 402 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 403 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 404 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 405 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 406 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 407 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 408 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 409 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 410 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 411 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 412 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 413 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 414 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 415 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 416 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 417 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 418 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 419 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 420 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 421 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 422 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 423 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 424 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 425 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 426 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 427 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 428 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 429 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 430 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 431 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 432 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 433 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 434 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 435 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 436 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 437 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 438 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 439 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 440 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 441 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 442 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 447 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 448 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 449 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 450 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 451 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 452 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 453 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 454 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 455 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 456 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 457 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 458 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 459 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 460 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 461 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 462 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 467 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 468 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 469 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 470 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 471 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 472 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 473 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 474 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 475 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 476 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 477 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 478 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 479 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 480 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 481 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 482 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 483 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 484 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 485 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 486 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 487 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 488 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 489 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 490 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 491 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 492 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 493 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 494 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 495 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 496 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 497 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 498 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 499 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 500 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 501 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 502 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 503 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 504 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 505 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 506 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 507 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 508 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 509 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 510 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 511 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 512 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 513 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 514 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 515 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 516 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 517 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 518 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 519 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 520 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 521 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 522 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 523 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 524 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 525 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 526 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 527 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 528 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 529 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 530 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 531 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 532 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 533 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 534 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 535 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 536 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 537 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 538 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 539 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 540 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 541 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 542 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 543 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 548 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 549 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 550 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 551 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 552 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 553 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 554 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 555 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 556 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 561 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 562 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 563 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 564 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 565 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 566 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 567 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 568 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 569 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 570 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 571 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 572 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 573 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 574 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 575 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 576 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 577 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 578 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo189_s20.cif b/soup/screen/mmcifs/denovo189_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d099948cef427251f75e916363b9a33b1343197d --- /dev/null +++ b/soup/screen/mmcifs/denovo189_s20.cif @@ -0,0 +1,595 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 13 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 14 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 15 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 16 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 17 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 22 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 23 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 24 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 29 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 30 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 35 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 36 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 37 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 38 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 39 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 44 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 45 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 46 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 51 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 52 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 53 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 58 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 63 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 68 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 69 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 70 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 75 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 80 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 81 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 82 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 83 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 84 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 85 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 86 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 87 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 88 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 89 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 90 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 91 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 92 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 93 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 94 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 95 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 96 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 97 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 98 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 99 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 100 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 101 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 102 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 103 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 104 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 105 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 106 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 111 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 112 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 113 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 114 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 115 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 120 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 121 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 122 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 123 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 124 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 125 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 126 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 127 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 128 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 129 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 130 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 131 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 136 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 137 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 138 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 139 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 140 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 141 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 142 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 143 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 144 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 145 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 146 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 147 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 148 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 149 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 154 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 155 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 156 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 161 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 162 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 163 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 164 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 165 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 170 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 171 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 172 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 173 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 174 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 179 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 180 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 185 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 186 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 187 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 188 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 189 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 190 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 191 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 196 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 197 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 198 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 199 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 200 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 205 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 206 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 207 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 208 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 209 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 214 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 215 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 216 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 217 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 218 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 219 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 220 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 221 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 222 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 223 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 224 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 229 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 230 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 231 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 232 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 233 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 234 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 235 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 236 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 237 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 238 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 239 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 240 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 241 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 242 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 247 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 248 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 249 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 250 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 251 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 252 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 253 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 254 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 255 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 256 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 257 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 258 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 259 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 260 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 261 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 262 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 263 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 264 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 265 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 266 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 267 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 268 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 269 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 274 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 275 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 276 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 277 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 278 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 279 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 280 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 281 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 282 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 283 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 284 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 285 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 286 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 287 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 288 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 289 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 290 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 291 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 292 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 293 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 294 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 299 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 300 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 301 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 302 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 303 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 304 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 305 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 306 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 307 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 308 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 309 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 310 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 311 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 312 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 313 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 314 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 315 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 316 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 317 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 318 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 319 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 320 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 321 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 322 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 323 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 324 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 325 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 326 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 327 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 328 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 329 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 330 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 331 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 332 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 333 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 334 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 335 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 336 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 337 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 342 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 343 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 344 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 345 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 346 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 347 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 348 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 349 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 350 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 351 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 352 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 353 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 354 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 355 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 356 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 357 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 358 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 359 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 360 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 361 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 362 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 363 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 364 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 365 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 366 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 367 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 368 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 369 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 370 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 371 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 372 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 373 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 374 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 375 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 376 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 377 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 378 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 379 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 380 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 381 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 382 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 383 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 384 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 385 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 386 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 387 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 388 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 389 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 390 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 391 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 392 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 393 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 394 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 395 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 396 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 397 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 398 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 399 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 400 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 401 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 402 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 403 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 404 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 405 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 406 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 407 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 408 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 409 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 410 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 411 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 412 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 413 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 414 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 415 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 416 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 417 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 418 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 419 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 420 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 421 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 422 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 423 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 424 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 425 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 426 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 427 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 428 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 429 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 430 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 431 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 432 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 433 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 434 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 435 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 436 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 437 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 438 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 439 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 440 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 441 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 442 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 443 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 444 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 445 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 446 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 447 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 448 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 449 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 450 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 451 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 452 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 453 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 454 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 455 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 456 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 457 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 458 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 459 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 460 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 461 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 462 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 467 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 468 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 469 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 470 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 471 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 472 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 473 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 474 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 475 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 476 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 477 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 478 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 479 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 480 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 481 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 482 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 483 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 484 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 485 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 486 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 487 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 488 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 489 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 490 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 491 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 492 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 493 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 494 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 495 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 496 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 497 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 498 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 499 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 500 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 501 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 502 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 503 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 504 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 505 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 506 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 507 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 508 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 509 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 510 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 511 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 512 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 513 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 514 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 515 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 516 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 517 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 518 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 519 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 520 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 521 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 522 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 523 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 524 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 525 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 530 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 531 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 532 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 533 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 534 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 535 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 536 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 541 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 542 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 543 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 544 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 545 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 546 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 547 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 548 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 549 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 550 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 551 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 552 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 553 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 554 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 555 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 556 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 561 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 562 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 563 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 564 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 565 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 566 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 567 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 568 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 569 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 570 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 571 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 572 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 573 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 574 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 575 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 576 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 577 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 578 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 579 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo18_s20.cif b/soup/screen/mmcifs/denovo18_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..55e4547407298bd96339dacef3f77c3908516746 --- /dev/null +++ b/soup/screen/mmcifs/denovo18_s20.cif @@ -0,0 +1,631 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 17 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 18 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 23 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 28 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 29 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 30 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 31 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 36 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 37 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 38 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 43 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 44 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 45 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 50 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 51 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 52 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 53 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 54 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 59 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 60 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 61 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 66 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 67 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 68 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 73 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 74 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 75 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 80 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 81 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 82 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 87 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 88 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 89 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 90 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 91 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 92 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 93 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 98 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 99 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 100 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 101 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 102 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 103 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 104 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 105 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 106 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 107 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 108 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 113 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 114 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 115 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 120 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 121 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 126 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 127 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 128 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 129 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 130 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 131 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 132 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 133 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 134 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 135 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 136 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 137 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 138 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 143 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 144 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 145 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 146 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 147 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 148 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 149 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 150 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 151 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 152 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 153 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 154 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 155 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 156 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 157 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 158 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 159 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 160 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 161 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 162 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 163 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 164 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 165 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 166 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 167 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 168 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 169 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 174 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 175 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 176 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 177 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 178 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 179 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 180 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 181 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 182 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 183 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 184 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 185 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 186 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 187 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 188 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 189 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 190 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 191 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 192 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 193 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 194 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 195 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 196 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 197 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 198 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 199 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 200 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 201 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 202 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 203 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 204 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 205 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 206 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 207 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 208 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 209 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 210 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 211 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 212 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 213 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 214 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 215 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 216 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 217 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 218 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 219 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 220 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 221 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 222 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 223 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 224 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 225 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 226 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 227 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 228 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 229 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 230 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 231 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 232 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 233 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 234 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 235 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 236 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 237 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 238 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 239 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 240 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 241 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 242 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 243 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 244 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 245 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 246 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 247 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 248 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 249 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 250 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 251 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 252 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 253 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 254 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 255 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 256 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 257 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 258 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 259 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 260 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 261 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 262 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 263 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 264 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 265 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 266 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 267 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 268 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 269 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 270 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 271 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 272 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 273 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 274 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 275 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 276 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 277 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 278 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 279 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 280 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 281 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 282 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 283 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 284 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 285 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 286 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 287 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 288 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 289 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 290 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 291 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 292 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 293 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 294 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 295 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 296 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 297 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 298 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 299 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 300 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 301 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 302 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 303 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 304 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 305 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 306 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 307 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 308 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 309 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 310 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 311 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 312 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 313 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 314 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 315 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 316 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 317 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 318 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 319 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 320 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 321 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 322 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 323 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 328 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 329 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 330 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 331 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 332 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 333 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 334 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 335 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 336 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 337 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 342 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 343 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 344 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 345 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 346 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 347 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 348 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 349 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 350 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 351 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 352 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 353 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 354 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 355 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 356 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 357 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 358 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 359 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 360 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 361 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 362 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 363 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 364 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 365 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 366 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 367 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 368 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 369 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 370 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 371 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 372 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 373 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 374 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 375 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 376 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 377 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 378 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 379 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 380 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 381 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 382 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 383 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 384 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 385 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 386 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 387 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 388 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 389 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 390 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 391 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 392 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 393 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 394 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 395 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 396 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 397 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 398 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 399 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 400 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 401 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 402 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 403 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 404 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 405 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 406 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 407 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 408 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 409 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 410 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 411 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 412 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 413 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 414 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 415 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 416 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 417 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 418 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 419 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 420 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 421 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 422 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 423 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 424 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 425 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 426 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 427 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 428 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 429 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 430 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 431 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 432 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 433 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 434 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 435 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 436 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 437 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 438 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 439 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 440 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 441 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 442 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 443 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 444 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 445 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 446 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 447 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 448 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 449 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 450 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 451 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 452 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 453 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 454 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 455 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 456 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 457 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 458 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 459 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 460 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 461 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 462 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 463 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 464 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 465 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 466 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 467 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 468 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 469 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 470 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 471 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 472 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 473 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 474 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 475 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 476 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 477 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 478 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 479 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 480 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 481 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 482 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 483 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 484 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 485 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 486 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 487 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 488 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 489 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 490 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 491 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 492 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 493 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 494 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 495 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 496 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 497 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 498 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 499 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 500 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 501 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 502 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 503 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 504 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 505 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 506 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 507 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 508 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 509 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 510 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 511 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 512 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 513 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 514 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 515 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 516 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 517 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 518 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 519 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 520 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 521 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 522 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 523 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 524 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 525 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 526 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 527 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 528 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 529 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 530 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 531 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 532 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 533 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 534 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 535 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 536 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 537 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 538 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 539 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 540 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 541 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 542 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 543 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 544 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 545 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 546 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 547 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 548 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 549 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 550 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 551 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 552 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 553 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 554 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 555 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 556 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 557 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 558 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 559 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 560 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 561 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 562 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 563 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 564 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 565 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 566 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 567 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 568 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 569 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 570 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 571 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 572 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 573 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 574 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 575 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 576 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 577 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 578 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 579 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 580 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 581 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 582 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 583 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 584 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 585 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 586 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 587 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 588 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 589 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 590 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 591 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 592 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 593 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 594 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 595 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 596 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 597 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 598 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 599 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 600 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 601 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 602 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 603 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 604 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 605 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 606 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 607 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 608 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 609 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 610 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 611 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 612 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 613 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 614 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 615 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo190_s20.cif b/soup/screen/mmcifs/denovo190_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..453ad6127c55c4db4a62365e678897bcf8ddf048 --- /dev/null +++ b/soup/screen/mmcifs/denovo190_s20.cif @@ -0,0 +1,647 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 11 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 12 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 17 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 18 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 19 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 20 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 25 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 26 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 27 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 32 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 33 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 34 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 35 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 36 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 41 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 42 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 43 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 44 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 45 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 50 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 51 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 52 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 53 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 54 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 55 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 56 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 61 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 62 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 63 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 64 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 65 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 66 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 67 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 68 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 69 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 70 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 71 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 72 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 73 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 74 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 79 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 80 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 81 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 86 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 87 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 88 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 89 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 90 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 95 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 96 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 97 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 98 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 99 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 100 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 101 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 102 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 103 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 104 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 105 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 106 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 107 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 108 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 109 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 110 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 111 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 112 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 113 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 114 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 115 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 116 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 117 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 118 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 119 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 120 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 121 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 122 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 123 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 124 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 125 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 126 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 127 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 128 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 129 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 130 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 131 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 132 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 133 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 134 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 135 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 136 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 137 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 138 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 139 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 140 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 141 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 142 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 143 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 144 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 145 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 146 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 147 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 148 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 149 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 150 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 151 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 152 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 153 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 154 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 155 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 156 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 157 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 158 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 159 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 160 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 161 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 162 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 163 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 164 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 165 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 166 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 167 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 168 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 169 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 170 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 171 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 172 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 173 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 174 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 175 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 176 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 177 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 178 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 179 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 180 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 181 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 182 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 183 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 184 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 185 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 186 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 187 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 188 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 189 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 190 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 191 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 192 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 193 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 194 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 195 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 196 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 197 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 198 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 199 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 200 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 201 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 202 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 203 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 204 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 205 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 206 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 207 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 208 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 209 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 210 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 211 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 212 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 213 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 214 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 215 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 216 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 217 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 218 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 219 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 220 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 221 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 222 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 223 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 224 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 225 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 226 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 227 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 228 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 229 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 230 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 231 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 232 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 233 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 234 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 235 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 236 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 237 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 238 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 239 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 240 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 241 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 242 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 243 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 244 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 245 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 246 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 247 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 248 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 249 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 250 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 251 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 252 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 253 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 254 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 255 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 256 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 257 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 258 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 259 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 260 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 261 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 262 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 263 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 264 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 265 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 266 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 267 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 268 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 269 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 270 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 271 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 272 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 273 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 274 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 275 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 276 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 277 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 278 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 279 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 280 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 281 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 282 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 283 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 284 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 285 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 286 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 287 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 288 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 289 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 290 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 291 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 292 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 293 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 294 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 295 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 296 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 297 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 298 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 299 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 300 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 301 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 302 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 303 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 304 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 305 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 306 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 307 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 308 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 309 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 310 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 311 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 312 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 313 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 314 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 315 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 316 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 317 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 318 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 319 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 320 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 321 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 322 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 323 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 324 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 325 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 326 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 327 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 328 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 329 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 330 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 331 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 332 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 333 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 334 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 335 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 336 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 337 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 338 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 339 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 340 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 341 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 342 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 343 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 344 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 345 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 346 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 347 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 348 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 349 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 350 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 351 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 352 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 353 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 354 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 355 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 356 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 357 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 358 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 359 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 360 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 361 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 362 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 363 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 364 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 365 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 366 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 367 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 368 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 369 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 370 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 371 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 372 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 373 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 374 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 375 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 376 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 377 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 378 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 379 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 380 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 381 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 382 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 383 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 384 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 385 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 386 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 387 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 388 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 389 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 390 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 391 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 392 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 393 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 394 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 395 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 396 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 397 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 398 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 399 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 400 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 401 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 402 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 403 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 404 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 405 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 406 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 407 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 408 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 409 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 410 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 411 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 412 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 413 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 414 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 415 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 416 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 417 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 418 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 419 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 420 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 421 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 422 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 423 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 424 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 425 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 426 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 427 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 428 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 429 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 430 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 431 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 432 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 433 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 434 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 435 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 436 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 437 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 438 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 439 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 440 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 441 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 442 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 443 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 444 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 445 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 446 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 447 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 448 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 449 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 450 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 451 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 452 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 453 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 454 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 455 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 456 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 457 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 458 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 459 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 460 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 461 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 462 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 463 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 464 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 465 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 466 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 467 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 468 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 469 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 470 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 471 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 472 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 473 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 474 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 475 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 476 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 477 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 478 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 479 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 480 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 481 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 482 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 483 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 484 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 485 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 486 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 487 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 488 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 489 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 490 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 491 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 492 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 493 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 494 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 495 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 496 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 497 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 498 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 499 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 500 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 501 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 502 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 503 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 504 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 505 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 506 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 507 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 508 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 509 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 510 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 511 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 512 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 513 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 514 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 515 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 516 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 517 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 518 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 519 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 520 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 521 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 522 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 523 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 524 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 525 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 526 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 527 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 528 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 529 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 530 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 531 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 532 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 533 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 534 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 535 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 536 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 537 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 538 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 539 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 540 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 541 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 542 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 543 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 544 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 545 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 546 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 547 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 548 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 549 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 550 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 551 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 552 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 553 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 554 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 555 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 556 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 557 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 558 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 559 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 560 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 561 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 562 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 563 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 564 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 565 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 566 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 567 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 568 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 569 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 570 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 571 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 572 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 573 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 574 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 575 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 576 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 577 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 578 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 579 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 580 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 581 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 582 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 583 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 584 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 585 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 586 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 587 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 588 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 589 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 590 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 591 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 592 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 593 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 594 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 595 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 596 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 597 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 598 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 599 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 600 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 601 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 602 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 603 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 604 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 605 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 606 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 607 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 608 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 609 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 610 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 611 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 612 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 613 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 614 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 615 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 616 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 617 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 618 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 619 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 620 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 621 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 622 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 623 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 624 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 625 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 626 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 627 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 628 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 629 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 630 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 631 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo191_s20.cif b/soup/screen/mmcifs/denovo191_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..59c7e23bc9b5e272cad15902fdf3b695111aca50 --- /dev/null +++ b/soup/screen/mmcifs/denovo191_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 22 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 27 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 28 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 29 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 30 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 31 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 36 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 37 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 38 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 43 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 44 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 45 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 50 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 51 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 52 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 57 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 58 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 59 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 60 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 65 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 66 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 67 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 72 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 73 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 74 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 75 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 80 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 81 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 86 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 87 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 88 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 89 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 90 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 95 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 96 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 97 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 98 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 99 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 100 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 101 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 102 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 103 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 104 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 105 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 106 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 107 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 108 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 109 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 110 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 115 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 120 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 121 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 126 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 127 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 128 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 133 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 134 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 135 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 136 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 137 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 138 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 139 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 140 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 141 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 142 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 143 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 148 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 149 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 150 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 151 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 152 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 153 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 154 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 155 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 156 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 157 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 158 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 159 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 164 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 165 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 166 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 167 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 168 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 169 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 170 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 171 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 172 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 173 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 174 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 175 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 176 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 177 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 178 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 179 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 184 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 185 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 186 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 187 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 188 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 197 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 198 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 199 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 200 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 205 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 206 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 207 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 208 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 209 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 210 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 211 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 212 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 213 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 214 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 215 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 216 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 217 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 218 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 219 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 220 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 221 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 222 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 223 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 224 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 225 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 226 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 227 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 228 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 229 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 230 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 231 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 232 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 233 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 234 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 239 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 240 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 241 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 242 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 247 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 252 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 253 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 254 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 259 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 260 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 265 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 266 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 267 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 268 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 269 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 270 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 271 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 272 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 273 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 274 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 275 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 276 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 277 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 278 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 279 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 280 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 281 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 282 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 283 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 284 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 285 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 286 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 287 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 288 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 289 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 290 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 291 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 292 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 293 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 294 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 295 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 296 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 297 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 298 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 299 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 300 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 301 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 302 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 303 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 304 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 305 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 306 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 307 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 308 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 309 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 310 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 311 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 312 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 313 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 314 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 315 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 316 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 317 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 318 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 319 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 320 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 321 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 322 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 323 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 324 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 325 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 326 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 327 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 328 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 329 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 330 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 331 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 332 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 333 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 334 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 335 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 336 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 337 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 338 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 339 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 340 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 341 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 342 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 343 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 344 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 345 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 346 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 347 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 348 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 349 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 350 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 351 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 352 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 353 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 354 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 355 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 356 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 357 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 358 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 359 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 360 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 361 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 362 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 363 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 368 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 369 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 370 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 371 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 372 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 373 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 374 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 375 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 376 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 377 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 378 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 379 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 380 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 381 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 382 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 383 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 384 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 385 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 386 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 387 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 388 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 389 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 390 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 391 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 392 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 393 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 394 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 395 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 396 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 397 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 398 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 399 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 400 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 401 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 402 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 403 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 404 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 405 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 406 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 407 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 408 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 409 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 410 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 411 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 412 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 413 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 414 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 415 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 416 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 417 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 418 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 419 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 420 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 421 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 422 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 423 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 424 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 425 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 426 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 427 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 428 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 429 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 430 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 431 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 432 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 433 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 434 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 435 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 436 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 437 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 438 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 439 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 440 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 441 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 442 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 443 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 444 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 445 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 446 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 447 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 448 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 449 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 450 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 451 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 452 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 453 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 454 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 455 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 456 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 457 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 458 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 459 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 460 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 461 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 462 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 463 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 464 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 465 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 466 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 467 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 468 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 469 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 470 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 471 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 472 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 473 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 474 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 475 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 476 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 481 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 482 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 483 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 484 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 485 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 486 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 487 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 488 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 489 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 490 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 491 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 492 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 493 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 494 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 495 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 496 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 497 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 498 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 499 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 500 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 501 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 502 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 503 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 504 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 505 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 506 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 507 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 508 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 509 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 510 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 511 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 512 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 513 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 514 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 515 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 516 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 517 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 518 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 519 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 520 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 521 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 522 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 523 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 524 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 525 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 526 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 527 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 528 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 529 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 530 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 531 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 532 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 533 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 534 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 535 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 536 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 537 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 538 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 539 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 540 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 541 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 542 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 543 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 544 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 545 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 546 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 547 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 548 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 549 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 550 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 551 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 552 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 553 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 554 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 555 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 556 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 557 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 558 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 559 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 560 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 561 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 562 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 563 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 564 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 565 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 566 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 567 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 568 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 569 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 570 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 571 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 572 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 573 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 574 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 575 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 576 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 577 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo192_s20.cif b/soup/screen/mmcifs/denovo192_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..76879823a17941eefcaf0afe523ba126f9e025bd --- /dev/null +++ b/soup/screen/mmcifs/denovo192_s20.cif @@ -0,0 +1,596 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 18 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 19 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 20 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 21 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 26 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 27 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 32 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 33 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 34 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 35 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 36 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 37 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 38 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 43 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 44 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 45 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 46 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 47 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 48 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 49 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 50 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 51 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 52 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 53 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 54 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 55 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 56 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 57 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 58 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 59 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 60 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 61 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 62 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 63 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 64 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 69 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 70 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 71 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 72 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 73 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 78 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 79 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 80 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 85 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 86 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 87 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 88 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 93 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 94 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 99 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 100 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 101 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 106 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 107 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 108 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 109 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 110 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 111 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 112 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 113 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 118 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 119 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 120 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 125 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 126 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 127 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 132 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 133 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 134 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 139 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 140 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 141 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 142 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 143 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 148 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 149 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 150 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 155 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 156 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 157 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 158 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 159 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 160 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 161 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 162 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 163 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 164 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 165 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 166 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 167 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 168 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 169 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 170 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 171 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 172 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 173 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 174 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 175 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 176 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 177 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 178 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 179 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 180 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 181 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 186 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 187 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 188 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 189 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 190 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 191 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 192 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 193 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 194 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 195 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 196 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 197 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 198 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 199 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 200 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 201 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 202 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 203 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 204 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 205 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 206 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 207 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 208 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 209 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 210 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 211 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 212 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 213 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 214 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 215 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 216 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 217 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 222 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 223 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 224 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 225 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 226 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 227 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 228 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 229 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 230 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 231 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 232 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 233 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 234 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 235 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 236 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 237 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 238 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 239 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 240 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 241 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 242 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 243 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 244 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 245 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 246 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 247 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 248 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 249 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 250 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 251 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 252 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 257 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 258 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 259 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 260 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 261 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 262 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 263 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 264 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 265 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 266 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 267 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 268 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 269 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 270 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 275 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 276 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 277 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 278 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 279 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 284 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 285 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 286 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 287 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 288 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 289 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 290 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 291 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 292 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 297 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 298 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 299 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 300 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 301 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 302 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 303 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 304 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 305 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 306 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 307 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 308 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 309 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 310 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 311 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 312 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 313 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 314 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 315 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 316 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 317 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 318 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 319 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 320 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 321 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 322 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 323 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 324 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 325 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 326 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 327 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 328 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 329 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 330 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 331 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 332 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 333 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 334 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 335 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 336 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 337 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 338 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 339 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 340 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 341 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 342 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 343 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 344 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 345 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 346 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 347 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 348 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 349 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 350 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 351 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 352 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 353 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 354 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 355 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 356 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 357 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 358 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 359 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 360 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 361 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 362 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 363 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 364 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 365 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 366 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 367 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 368 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 369 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 370 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 371 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 372 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 373 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 374 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 375 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 376 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 377 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 378 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 379 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 380 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 381 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 382 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 383 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 384 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 385 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 386 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 387 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 388 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 389 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 390 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 391 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 392 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 393 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 394 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 399 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 400 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 401 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 402 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 403 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 404 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 405 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 406 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 407 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 408 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 409 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 410 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 411 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 412 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 413 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 414 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 415 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 416 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 417 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 418 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 419 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 420 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 421 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 422 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 423 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 424 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 425 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 426 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 427 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 428 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 429 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 430 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 431 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 432 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 433 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 434 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 435 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 436 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 437 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 438 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 439 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 440 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 441 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 442 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 443 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 444 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 445 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 446 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 447 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 448 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 449 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 450 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 451 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 452 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 453 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 454 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 455 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 456 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 457 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 458 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 459 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 460 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 461 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 462 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 467 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 468 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 473 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 474 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 475 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 480 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 481 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 482 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 483 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 484 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 485 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 486 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 487 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 488 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 489 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 490 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 491 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 492 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 493 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 494 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 495 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 496 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 497 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 498 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 499 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 500 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 501 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 502 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 503 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 504 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 505 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 506 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 507 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 508 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 509 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 510 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 511 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 512 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 513 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 514 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 515 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 516 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 517 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 518 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 519 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 520 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 521 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 522 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 523 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 524 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 525 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 530 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 531 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 532 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 533 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 534 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 535 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 536 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 537 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 538 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 539 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 540 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 541 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 542 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 543 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 544 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 545 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 546 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 547 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 548 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 549 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 550 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 551 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 552 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 553 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 554 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 555 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 556 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 557 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 558 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 559 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 560 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 561 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 562 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 563 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 564 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 565 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 566 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 567 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 568 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 569 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 570 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 571 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 572 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 573 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 574 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 578 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 579 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 580 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo193_s20.cif b/soup/screen/mmcifs/denovo193_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e3675223b9dd442f8f6241f9fe29a5e75aafa6b9 --- /dev/null +++ b/soup/screen/mmcifs/denovo193_s20.cif @@ -0,0 +1,579 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 12 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 13 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 14 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 15 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 16 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 17 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 18 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 23 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 24 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 25 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 26 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 31 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 32 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 33 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 38 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 39 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 40 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 49 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 50 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 51 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 56 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 57 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 58 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 63 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 64 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 65 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 70 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 71 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 72 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 73 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 78 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 79 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 80 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 81 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 82 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 87 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 88 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 89 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 90 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 91 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 96 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 97 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 98 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 99 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 100 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 105 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 106 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 107 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 108 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 109 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 110 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 111 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 116 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 117 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 118 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 119 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 120 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 121 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 122 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 123 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 124 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 125 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 126 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 127 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 128 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 129 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 130 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 131 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 132 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 133 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 134 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 135 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 136 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 137 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 138 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 139 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 140 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 141 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 142 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 143 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 144 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 145 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 146 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 147 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 148 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 149 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 150 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 151 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 152 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 153 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 154 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 155 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 156 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 157 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 158 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 159 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 160 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 161 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 162 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 163 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 164 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 165 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 166 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 167 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 168 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 169 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 170 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 171 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 172 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 173 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 174 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 179 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 180 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 185 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 186 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 187 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 188 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 189 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 190 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 191 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 192 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 193 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 198 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 199 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 200 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 201 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 202 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 207 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 208 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 209 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 210 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 211 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 212 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 213 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 214 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 215 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 216 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 217 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 218 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 219 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 220 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 221 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 222 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 223 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 224 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 225 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 226 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 227 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 228 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 233 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 234 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 235 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 240 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 241 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 242 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 251 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 252 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 253 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 254 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 255 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 256 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 257 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 258 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 259 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 260 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 261 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 262 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 263 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 264 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 265 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 266 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 267 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 272 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 273 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 278 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 279 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 280 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 281 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 282 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 283 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 284 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 285 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 286 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 287 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 288 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 289 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 290 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 291 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 292 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 293 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 294 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 295 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 296 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 297 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 298 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 299 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 300 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 301 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 302 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 303 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 304 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 305 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 306 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 307 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 308 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 309 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 310 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 311 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 312 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 313 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 314 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 315 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 316 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 317 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 318 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 319 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 320 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 321 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 322 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 323 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 324 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 325 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 326 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 327 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 328 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 329 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 330 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 331 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 332 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 333 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 334 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 335 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 336 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 337 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 338 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 339 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 340 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 341 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 342 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 343 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 344 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 345 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 346 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 347 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 348 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 349 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 350 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 351 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 352 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 353 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 354 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 355 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 356 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 357 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 358 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 359 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 360 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 361 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 362 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 363 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 364 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 365 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 366 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 367 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 368 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 369 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 370 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 371 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 372 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 373 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 374 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 375 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 376 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 377 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 378 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 379 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 380 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 381 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 382 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 383 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 384 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 385 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 386 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 387 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 388 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 389 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 390 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 391 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 392 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 393 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 394 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 395 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 396 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 397 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 398 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 399 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 400 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 401 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 402 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 407 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 408 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 409 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 410 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 411 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 412 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 413 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 414 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 415 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 416 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 417 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 418 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 419 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 420 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 421 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 422 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 423 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 424 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 425 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 426 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 427 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 428 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 429 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 430 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 431 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 432 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 433 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 434 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 435 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 436 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 437 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 438 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 439 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 440 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 441 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 442 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 443 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 444 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 445 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 446 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 447 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 448 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 449 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 450 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 451 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 452 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 453 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 454 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 455 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 456 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 457 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 458 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 459 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 460 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 461 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 462 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 463 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 464 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 465 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 466 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 467 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 468 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 469 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 470 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 471 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 472 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 473 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 474 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 475 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 476 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 477 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 478 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 479 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 480 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 481 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 482 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 483 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 484 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 485 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 486 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 487 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 488 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 489 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 490 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 491 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 492 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 493 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 494 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 495 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 496 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 497 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 498 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 503 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 504 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 505 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 506 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 507 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 508 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 509 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 510 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 511 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 512 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 517 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 518 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 519 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 524 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 525 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 526 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 527 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 528 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 533 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 534 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 535 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 536 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 537 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 538 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 539 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 540 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 541 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 542 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 543 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 544 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 545 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 546 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 547 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 548 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 549 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 550 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 551 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 552 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 553 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 554 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 555 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 556 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 557 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 558 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 559 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 560 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 561 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 562 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 563 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo194_s20.cif b/soup/screen/mmcifs/denovo194_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..bfa65a182d1f96456f5e6d66027595f5b7a515af --- /dev/null +++ b/soup/screen/mmcifs/denovo194_s20.cif @@ -0,0 +1,608 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 17 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 18 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 19 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 20 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 21 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 26 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 27 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 28 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 29 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 30 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 31 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 32 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 33 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 34 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 35 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 36 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 37 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 42 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 43 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 44 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 45 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 46 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 47 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 48 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 49 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 50 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 51 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 52 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 53 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 54 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 55 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 56 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 57 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 58 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 59 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 60 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 61 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 62 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 63 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 64 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 65 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 66 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 67 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 68 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 69 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 70 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 71 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 72 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 73 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 74 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 79 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 80 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 85 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 86 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 87 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 88 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 89 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 90 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 91 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 96 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 97 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 98 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 103 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 104 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 105 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 106 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 111 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 112 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 113 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 114 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 115 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 116 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 117 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 118 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 119 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 120 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 121 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 122 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 123 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 124 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 125 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 126 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 127 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 132 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 133 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 134 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 135 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 136 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 137 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 138 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 139 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 140 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 141 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 142 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 143 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 148 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 149 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 150 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 151 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 152 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 157 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 158 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 159 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 160 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 161 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 162 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 163 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 164 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 165 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 166 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 167 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 172 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 173 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 174 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 179 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 180 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 181 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 182 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 183 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 184 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 185 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 186 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 187 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 192 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 193 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 194 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 195 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 196 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 197 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 198 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 199 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 200 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 201 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 202 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 203 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 204 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 205 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 206 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 207 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 208 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 209 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 210 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 211 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 212 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 213 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 214 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 215 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 216 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 217 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 218 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 219 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 220 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 221 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 222 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 223 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 224 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 225 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 226 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 227 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 232 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 233 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 234 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 239 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 240 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 241 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 242 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 243 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 244 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 245 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 246 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 247 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 248 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 249 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 250 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 251 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 252 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 253 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 254 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 255 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 256 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 257 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 258 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 259 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 260 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 261 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 262 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 263 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 264 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 265 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 266 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 267 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 268 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 269 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 270 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 271 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 272 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 273 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 274 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 275 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 276 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 277 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 278 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 279 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 280 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 281 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 286 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 287 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 288 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 289 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 290 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 291 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 292 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 293 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 294 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 295 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 296 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 297 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 298 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 299 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 300 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 301 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 302 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 303 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 304 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 305 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 306 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 307 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 308 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 309 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 310 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 311 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 312 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 313 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 314 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 315 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 316 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 317 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 318 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 319 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 320 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 321 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 322 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 323 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 324 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 325 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 326 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 327 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 328 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 329 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 330 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 331 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 332 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 333 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 334 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 335 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 336 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 337 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 338 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 339 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 340 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 341 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 342 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 343 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 344 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 345 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 346 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 347 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 348 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 349 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 350 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 351 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 352 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 353 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 354 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 355 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 356 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 357 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 362 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 363 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 364 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 365 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 366 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 367 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 368 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 369 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 370 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 371 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 372 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 373 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 374 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 375 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 376 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 377 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 378 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 379 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 380 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 381 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 382 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 383 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 384 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 385 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 386 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 387 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 388 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 389 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 390 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 391 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 392 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 393 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 394 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 395 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 396 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 397 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 398 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 399 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 404 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 409 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 410 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 411 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 412 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 413 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 414 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 415 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 416 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 417 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 418 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 419 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 420 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 421 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 422 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 423 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 424 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 425 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 426 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 427 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 428 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 429 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 430 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 431 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 432 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 433 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 434 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 435 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 436 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 437 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 438 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 439 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 440 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 441 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 442 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 443 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 444 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 445 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 446 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 447 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 448 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 449 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 450 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 451 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 452 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 453 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 454 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 455 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 456 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 457 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 458 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 459 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 460 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 461 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 462 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 463 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 464 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 465 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 466 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 467 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 468 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 469 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 470 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 471 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 472 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 473 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 478 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 479 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 480 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 481 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 482 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 483 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 484 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 485 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 486 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 487 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 488 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 489 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 490 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 491 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 492 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 493 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 494 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 495 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 496 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 497 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 498 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 499 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 500 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 501 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 502 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 503 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 504 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 505 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 506 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 507 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 508 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 509 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 510 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 511 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 512 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 513 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 514 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 515 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 516 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 517 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 518 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 519 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 520 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 521 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 522 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 523 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 524 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 525 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 526 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 527 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 528 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 529 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 530 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 531 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 532 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 533 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 534 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 535 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 536 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 537 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 538 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 539 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 540 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 541 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 542 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 543 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 544 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 545 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 546 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 547 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 548 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 549 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 550 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 551 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 552 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 553 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 554 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 555 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 556 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 557 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 558 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 559 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 560 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 561 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 562 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 563 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 564 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 565 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 566 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 567 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 568 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 569 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 570 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 571 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 572 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 573 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 574 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 575 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 576 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 577 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 578 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 579 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 580 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 581 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 582 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 583 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 584 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 585 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 586 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 587 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 588 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 589 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 590 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 591 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 592 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo195_s20.cif b/soup/screen/mmcifs/denovo195_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..96c4523ab1a2e69b74b96d06991430ccced9f10d --- /dev/null +++ b/soup/screen/mmcifs/denovo195_s20.cif @@ -0,0 +1,635 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 17 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 18 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 19 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 20 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 21 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 26 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 31 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 32 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 33 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 34 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 35 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 36 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 37 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 42 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 43 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 44 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 45 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 46 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 47 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 48 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 49 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 50 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 51 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 52 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 53 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 54 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 55 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 56 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 61 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 62 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 63 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 64 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 65 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 66 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 67 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 68 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 69 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 70 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 71 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 72 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 73 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 74 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 79 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 80 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 81 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 86 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 87 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 88 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 89 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 90 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 95 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 96 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 97 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 98 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 99 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 100 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 101 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 102 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 103 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 104 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 105 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 106 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 107 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 108 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 109 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 110 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 111 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 112 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 113 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 114 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 115 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 116 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 117 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 118 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 119 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 120 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 121 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 122 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 123 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 124 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 125 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 126 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 127 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 128 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 129 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 130 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 131 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 132 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 133 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 134 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 135 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 136 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 137 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 138 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 139 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 140 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 141 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 142 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 143 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 144 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 145 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 146 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 147 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 148 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 149 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 150 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 151 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 152 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 153 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 154 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 155 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 156 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 157 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 158 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 159 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 160 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 161 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 162 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 163 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 164 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 165 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 166 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 167 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 168 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 169 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 174 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 175 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 176 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 177 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 178 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 179 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 180 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 181 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 182 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 183 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 184 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 185 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 186 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 187 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 188 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 189 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 190 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 191 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 192 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 193 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 194 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 195 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 196 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 197 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 198 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 199 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 200 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 201 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 202 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 203 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 204 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 205 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 206 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 207 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 208 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 209 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 214 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 215 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 216 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 217 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 218 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 219 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 220 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 225 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 226 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 227 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 228 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 229 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 230 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 231 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 232 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 233 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 234 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 239 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 240 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 241 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 242 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 243 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 244 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 245 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 246 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 247 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 248 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 249 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 250 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 251 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 252 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 253 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 254 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 255 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 256 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 257 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 258 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 259 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 260 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 261 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 262 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 263 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 264 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 265 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 266 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 267 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 268 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 269 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 270 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 271 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 272 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 273 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 274 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 275 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 276 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 277 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 278 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 279 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 280 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 281 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 282 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 283 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 284 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 285 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 286 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 287 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 288 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 289 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 290 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 291 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 292 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 293 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 294 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 295 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 296 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 297 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 298 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 299 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 300 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 301 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 302 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 303 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 304 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 305 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 306 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 307 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 308 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 309 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 310 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 311 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 312 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 313 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 314 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 315 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 316 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 317 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 318 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 319 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 320 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 321 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 322 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 323 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 324 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 325 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 326 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 327 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 328 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 329 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 330 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 331 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 332 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 333 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 334 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 335 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 336 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 337 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 338 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 339 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 340 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 341 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 342 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 343 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 344 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 345 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 346 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 347 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 348 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 349 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 350 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 351 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 352 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 353 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 354 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 355 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 356 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 357 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 358 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 359 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 360 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 361 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 362 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 363 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 364 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 365 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 366 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 367 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 368 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 369 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 370 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 371 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 372 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 373 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 374 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 375 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 376 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 377 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 378 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 379 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 380 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 381 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 382 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 383 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 384 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 385 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 386 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 387 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 388 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 389 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 390 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 391 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 392 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 393 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 394 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 395 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 396 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 397 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 398 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 399 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 400 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 401 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 402 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 403 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 404 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 405 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 406 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 407 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 408 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 409 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 410 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 411 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 412 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 413 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 414 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 415 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 416 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 417 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 418 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 419 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 420 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 421 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 422 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 423 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 424 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 425 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 426 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 427 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 428 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 429 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 430 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 431 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 432 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 433 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 434 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 435 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 436 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 437 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 438 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 439 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 440 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 441 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 442 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 443 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 444 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 445 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 446 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 447 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 448 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 449 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 450 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 451 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 452 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 453 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 454 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 455 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 456 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 457 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 458 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 459 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 460 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 461 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 462 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 463 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 464 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 465 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 466 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 467 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 468 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 469 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 470 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 471 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 472 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 473 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 474 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 475 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 476 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 477 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 478 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 479 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 480 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 481 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 482 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 483 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 484 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 485 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 486 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 487 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 488 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 489 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 490 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 491 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 492 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 493 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 494 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 495 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 496 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 497 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 498 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 499 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 500 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 501 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 502 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 503 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 504 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 505 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 506 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 507 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 508 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 509 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 510 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 511 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 512 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 513 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 514 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 515 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 516 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 517 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 518 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 519 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 520 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 521 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 522 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 523 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 524 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 525 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 526 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 527 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 528 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 529 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 530 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 531 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 532 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 533 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 534 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 535 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 536 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 537 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 538 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 539 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 540 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 541 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 542 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 543 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 544 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 545 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 546 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 547 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 548 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 549 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 550 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 551 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 552 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 553 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 554 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 555 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 556 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 557 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 558 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 559 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 560 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 561 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 562 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 563 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 564 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 565 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 566 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 567 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 568 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 569 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 570 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 571 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 572 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 573 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 574 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 575 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 576 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 577 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 578 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 579 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 580 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 581 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 582 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 583 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 584 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 585 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 586 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 587 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 588 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 589 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 590 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 591 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 592 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 593 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 594 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 595 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 596 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 597 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 598 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 599 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 600 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 601 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 602 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 603 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 604 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 605 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 606 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 607 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 608 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 609 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 610 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 611 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 612 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 613 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 614 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 615 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 616 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 617 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 618 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 619 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo196_s20.cif b/soup/screen/mmcifs/denovo196_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..3e8d2b92371a66ae3baa247a4941bb9f236f4810 --- /dev/null +++ b/soup/screen/mmcifs/denovo196_s20.cif @@ -0,0 +1,573 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 17 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 22 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 23 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 28 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 29 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 30 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 35 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 36 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 41 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 42 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 43 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 48 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 49 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 50 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 55 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 56 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 57 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 62 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 63 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 64 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 65 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 70 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 71 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 72 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 77 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 78 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 79 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 80 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 81 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 86 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 87 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 88 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 93 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 94 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 95 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 96 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 97 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 98 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 99 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 100 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 101 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 106 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 107 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 108 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 109 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 110 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 111 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 112 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 113 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 114 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 115 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 116 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 117 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 118 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 119 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 120 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 121 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 122 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 123 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 124 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 125 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 126 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 127 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 132 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 133 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 134 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 139 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 140 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 141 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 142 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 147 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 148 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 149 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 154 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 155 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 156 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 161 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 162 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 163 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 164 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 165 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 170 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 171 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 172 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 177 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 178 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 179 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 184 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 185 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 186 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 187 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 188 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 189 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 190 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 191 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 192 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 193 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 198 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 199 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 200 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 201 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 202 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 207 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 208 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 209 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 210 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 211 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 212 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 213 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 214 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 215 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 216 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 217 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 218 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 219 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 220 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 221 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 222 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 223 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 224 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 225 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 226 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 227 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 228 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 229 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 230 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 231 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 232 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 233 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 234 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 239 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 240 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 241 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 242 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 243 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 244 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 245 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 246 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 247 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 248 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 249 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 250 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 251 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 252 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 257 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 258 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 259 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 264 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 265 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 266 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 267 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 268 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 269 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 270 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 271 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 272 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 273 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 278 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 279 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 280 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 281 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 282 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 283 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 284 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 285 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 286 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 287 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 288 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 289 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 290 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 291 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 292 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 293 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 294 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 295 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 296 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 297 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 298 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 299 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 300 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 301 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 302 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 303 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 304 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 305 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 306 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 307 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 308 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 309 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 310 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 311 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 312 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 313 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 314 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 315 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 316 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 317 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 318 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 319 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 320 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 321 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 322 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 323 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 324 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 325 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 326 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 327 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 328 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 329 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 330 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 331 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 332 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 333 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 334 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 335 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 336 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 337 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 338 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 339 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 340 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 341 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 342 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 343 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 344 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 345 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 346 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 347 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 348 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 349 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 350 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 351 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 352 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 353 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 354 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 355 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 356 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 357 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 358 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 359 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 360 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 361 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 362 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 363 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 364 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 365 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 366 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 367 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 368 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 369 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 370 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 371 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 372 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 373 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 374 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 375 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 376 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 377 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 378 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 379 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 380 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 381 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 382 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 383 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 384 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 385 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 386 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 387 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 388 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 389 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 390 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 391 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 392 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 393 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 394 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 395 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 396 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 397 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 398 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 399 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 400 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 401 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 402 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 403 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 404 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 405 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 406 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 407 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 408 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 409 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 410 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 411 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 412 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 413 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 414 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 415 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 416 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 417 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 418 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 419 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 420 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 421 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 422 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 423 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 424 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 425 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 426 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 427 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 428 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 429 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 430 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 431 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 432 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 433 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 434 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 435 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 436 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 437 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 438 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 439 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 440 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 441 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 442 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 443 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 444 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 445 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 446 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 447 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 448 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 449 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 450 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 451 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 452 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 453 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 454 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 455 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 456 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 457 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 458 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 459 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 460 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 461 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 462 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 463 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 464 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 465 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 466 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 467 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 468 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 469 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 470 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 471 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 472 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 473 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 474 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 475 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 476 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 477 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 478 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 479 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 480 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 481 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 482 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 483 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 484 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 485 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 486 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 487 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 488 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 489 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 490 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 491 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 492 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 493 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 494 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 495 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 496 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 497 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 498 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 499 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 500 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 501 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 502 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 503 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 504 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 505 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 506 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 507 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 508 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 509 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 510 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 511 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 512 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 513 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 514 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 515 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 516 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 517 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 518 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 519 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 520 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 521 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 522 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 523 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 524 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 525 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 526 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 527 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 528 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 529 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 530 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 531 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 532 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 533 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 534 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 535 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 536 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 537 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 538 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 539 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 540 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 541 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 542 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 543 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 544 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 545 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 546 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 547 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 548 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 549 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 550 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 551 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 552 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 553 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 554 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 555 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 556 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 557 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo197_s20.cif b/soup/screen/mmcifs/denovo197_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..59890944d19ee7565f6329923ee0af7d09495d8e --- /dev/null +++ b/soup/screen/mmcifs/denovo197_s20.cif @@ -0,0 +1,568 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 11 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 12 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 17 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 18 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 19 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 24 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 25 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 26 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 27 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 28 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 29 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 30 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 31 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 32 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 37 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 38 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 39 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 40 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 41 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 42 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 43 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 44 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 45 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 46 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 47 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 48 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 49 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 50 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 51 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 52 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 53 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 54 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 55 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 56 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 57 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 62 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 63 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 64 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 65 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 66 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 71 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 72 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 73 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 78 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 79 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 80 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 81 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 82 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 87 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 92 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 93 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 94 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 95 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 100 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 101 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 102 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 103 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 104 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 105 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 106 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 111 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 112 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 113 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 118 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 119 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 120 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 121 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 122 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 127 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 132 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 133 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 134 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 139 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 140 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 141 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 150 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 151 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 152 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 153 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 154 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 155 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 156 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 157 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 158 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 159 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 160 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 165 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 166 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 167 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 168 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 169 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 170 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 171 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 172 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 173 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 174 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 175 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 176 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 181 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 186 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 187 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 188 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 189 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 194 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 195 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 196 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 197 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 198 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 199 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 200 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 201 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 206 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 207 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 208 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 209 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 210 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 211 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 212 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 213 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 214 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 215 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 216 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 221 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 222 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 223 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 224 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 225 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 226 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 227 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 228 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 229 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 230 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 231 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 232 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 233 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 234 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 235 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 236 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 237 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 238 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 239 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 240 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 241 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 242 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 243 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 244 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 245 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 246 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 247 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 248 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 249 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 250 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 251 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 252 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 253 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 254 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 255 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 256 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 257 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 258 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 259 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 260 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 261 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 262 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 263 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 264 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 265 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 266 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 267 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 268 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 269 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 270 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 271 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 272 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 273 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 274 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 275 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 276 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 277 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 278 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 279 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 280 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 281 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 282 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 283 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 284 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 285 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 286 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 287 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 288 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 289 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 290 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 291 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 292 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 293 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 294 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 295 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 296 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 297 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 298 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 299 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 300 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 301 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 302 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 303 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 304 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 305 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 306 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 307 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 308 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 309 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 310 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 311 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 312 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 313 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 314 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 315 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 316 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 317 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 318 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 319 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 320 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 321 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 322 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 323 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 324 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 325 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 326 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 327 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 328 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 329 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 330 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 331 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 332 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 333 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 334 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 335 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 336 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 337 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 338 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 339 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 340 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 341 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 342 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 343 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 344 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 345 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 346 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 347 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 348 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 349 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 350 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 351 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 352 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 353 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 354 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 355 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 356 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 357 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 358 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 359 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 360 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 361 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 362 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 363 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 364 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 365 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 366 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 367 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 368 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 369 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 370 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 371 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 372 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 373 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 374 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 375 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 376 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 377 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 378 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 379 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 380 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 381 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 382 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 383 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 384 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 385 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 386 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 387 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 388 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 389 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 390 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 391 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 392 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 393 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 394 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 399 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 400 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 401 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 402 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 403 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 404 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 405 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 406 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 407 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 408 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 409 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 410 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 411 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 412 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 413 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 414 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 415 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 416 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 417 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 418 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 419 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 420 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 421 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 422 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 423 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 424 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 425 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 426 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 427 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 428 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 429 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 430 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 431 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 432 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 433 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 434 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 435 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 436 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 437 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 438 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 439 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 440 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 441 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 442 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 443 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 444 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 445 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 446 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 447 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 448 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 449 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 450 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 451 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 452 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 453 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 454 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 455 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 456 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 457 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 458 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 459 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 460 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 461 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 462 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 463 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 464 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 465 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 466 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 467 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 468 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 469 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 470 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 471 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 472 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 473 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 474 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 475 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 476 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 477 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 478 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 479 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 480 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 481 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 482 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 483 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 484 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 485 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 486 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 487 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 488 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 489 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 490 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 491 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 492 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 493 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 494 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 495 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 496 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 497 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 498 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 499 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 500 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 501 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 502 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 503 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 504 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 505 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 506 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 507 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 508 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 509 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 510 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 511 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 512 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 513 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 514 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 515 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 516 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 517 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 518 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 519 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 520 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 521 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 522 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 523 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 524 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 525 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 526 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 527 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 528 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 529 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 530 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 531 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 532 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 533 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 534 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 535 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 536 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 537 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 538 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 539 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 540 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 541 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 542 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 543 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 544 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 545 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 546 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 547 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 548 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 549 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 550 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 551 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 552 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo198_s20.cif b/soup/screen/mmcifs/denovo198_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f112e36a0200d51d9f0dab56793b0f488a870157 --- /dev/null +++ b/soup/screen/mmcifs/denovo198_s20.cif @@ -0,0 +1,622 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 17 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 18 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 19 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 20 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 21 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 22 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 23 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 24 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 25 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 26 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 27 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 28 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 29 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 30 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 31 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 32 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 33 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 34 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 35 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 36 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 37 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 38 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 39 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 40 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 41 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 42 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 43 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 44 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 45 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 46 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 47 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 48 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 49 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 50 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 51 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 52 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 53 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 54 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 55 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 56 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 57 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 58 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 59 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 60 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 61 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 62 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 63 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 64 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 65 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 66 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 67 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 68 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 69 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 70 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 71 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 72 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 73 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 74 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 75 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 76 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 77 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 78 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 79 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 80 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 85 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 86 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 87 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 88 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 89 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 90 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 91 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 92 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 93 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 94 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 95 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 96 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 97 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 98 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 99 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 100 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 101 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 106 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 107 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 108 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 113 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 114 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 115 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 116 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 117 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 118 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 119 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 120 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 121 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 122 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 123 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 124 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 129 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 130 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 131 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 136 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 137 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 138 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 139 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 140 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 141 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 142 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 143 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 144 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 145 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 146 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 147 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 148 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 149 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 150 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 151 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 152 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 157 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 158 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 159 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 160 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 161 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 166 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 167 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 172 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 173 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 174 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 175 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 176 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 177 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 178 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 179 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 180 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 181 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 182 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 183 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 184 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 185 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 186 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 187 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 192 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 193 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 194 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 195 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 196 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 197 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 198 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 199 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 200 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 201 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 202 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 203 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 204 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 205 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 206 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 207 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 208 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 209 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 214 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 215 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 216 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 217 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 218 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 219 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 220 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 221 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 222 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 223 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 224 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 225 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 226 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 227 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 228 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 229 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 230 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 231 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 232 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 233 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 234 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 235 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 236 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 237 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 238 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 239 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 240 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 241 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 242 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 243 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 244 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 245 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 246 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 247 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 248 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 249 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 250 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 251 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 252 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 253 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 254 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 255 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 256 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 257 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 258 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 259 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 260 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 261 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 262 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 263 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 264 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 265 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 266 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 267 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 268 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 269 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 270 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 271 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 272 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 273 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 274 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 275 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 276 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 277 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 278 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 279 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 280 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 281 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 282 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 283 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 288 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 289 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 290 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 291 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 292 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 293 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 294 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 295 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 296 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 297 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 298 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 299 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 300 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 301 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 302 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 303 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 304 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 305 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 306 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 307 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 308 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 309 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 310 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 311 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 312 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 313 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 314 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 315 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 316 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 317 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 318 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 319 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 320 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 321 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 322 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 323 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 324 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 325 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 326 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 327 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 328 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 329 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 330 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 331 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 332 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 333 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 334 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 335 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 336 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 337 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 338 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 339 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 340 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 341 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 342 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 343 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 344 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 345 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 346 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 347 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 348 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 349 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 350 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 351 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 352 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 353 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 354 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 355 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 356 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 357 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 358 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 359 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 360 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 361 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 362 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 363 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 364 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 365 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 366 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 367 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 368 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 369 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 370 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 371 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 372 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 373 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 374 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 375 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 376 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 377 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 378 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 379 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 380 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 381 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 382 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 383 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 384 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 385 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 386 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 387 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 388 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 389 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 390 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 391 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 392 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 393 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 394 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 395 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 396 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 397 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 398 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 399 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 400 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 401 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 402 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 403 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 404 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 405 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 406 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 407 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 408 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 409 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 410 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 411 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 412 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 413 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 414 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 415 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 416 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 417 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 418 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 419 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 420 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 421 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 422 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 423 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 424 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 425 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 426 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 427 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 428 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 429 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 430 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 431 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 432 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 433 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 434 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 435 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 436 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 437 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 438 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 439 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 440 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 441 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 442 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 443 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 444 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 445 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 446 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 447 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 448 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 449 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 450 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 451 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 452 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 453 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 454 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 455 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 456 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 457 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 458 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 459 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 460 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 461 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 462 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 463 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 464 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 465 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 466 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 467 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 468 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 469 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 470 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 471 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 472 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 473 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 474 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 475 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 476 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 477 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 478 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 479 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 480 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 481 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 482 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 483 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 484 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 485 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 486 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 487 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 488 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 489 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 490 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 491 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 492 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 493 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 494 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 495 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 496 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 497 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 498 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 499 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 500 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 501 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 502 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 503 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 504 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 505 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 506 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 507 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 508 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 509 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 510 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 511 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 512 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 513 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 514 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 515 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 516 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 517 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 518 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 519 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 520 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 521 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 522 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 523 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 524 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 525 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 526 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 527 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 528 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 529 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 530 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 531 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 532 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 533 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 534 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 535 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 536 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 537 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 538 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 539 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 540 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 541 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 542 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 543 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 544 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 545 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 546 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 547 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 548 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 549 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 550 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 551 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 552 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 553 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 554 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 555 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 556 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 557 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 558 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 559 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 560 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 561 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 562 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 563 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 564 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 565 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 566 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 567 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 568 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 569 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 570 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 571 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 572 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 573 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 574 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 575 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 576 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 577 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 578 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 579 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 580 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 581 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 582 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 583 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 584 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 585 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 586 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 587 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 588 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 589 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 590 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 591 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 592 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 593 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 594 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 595 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 596 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 597 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 598 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 599 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 600 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 601 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 602 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 603 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 604 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 605 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 606 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo199_s20.cif b/soup/screen/mmcifs/denovo199_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2883db7dc93ce7889d784bf956aac01b16a03d2f --- /dev/null +++ b/soup/screen/mmcifs/denovo199_s20.cif @@ -0,0 +1,613 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 14 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 19 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 24 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 25 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 26 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 31 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 32 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 33 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 34 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 35 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 36 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 37 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 38 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 39 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 40 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 41 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 42 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 43 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 44 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 45 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 46 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 47 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 48 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 49 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 50 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 51 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 52 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 53 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 54 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 55 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 60 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 65 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 66 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 67 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 68 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 69 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 70 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 71 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 72 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 73 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 74 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 75 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 80 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 81 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 82 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 83 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 84 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 89 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 90 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 91 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 92 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 93 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 94 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 95 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 96 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 97 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 98 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 99 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 100 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 101 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 102 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 103 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 104 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 105 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 106 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 107 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 108 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 109 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 110 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 111 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 116 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 117 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 118 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 119 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 124 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 125 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 126 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 127 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 132 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 133 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 134 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 139 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 140 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 141 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 146 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 147 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 148 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 149 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 154 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 155 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 156 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 157 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 158 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 159 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 160 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 161 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 162 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 167 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 168 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 169 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 170 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 171 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 172 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 173 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 174 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 175 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 176 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 177 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 178 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 183 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 184 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 185 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 186 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 187 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 200 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 201 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 206 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 207 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 208 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 209 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 210 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 211 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 212 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 213 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 214 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 215 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 216 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 217 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 218 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 219 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 224 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 225 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 226 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 227 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 228 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 229 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 230 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 231 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 232 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 233 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 234 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 235 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 236 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 237 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 238 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 243 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 244 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 245 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 246 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 247 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 248 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 249 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 250 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 251 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 252 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 253 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 254 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 255 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 256 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 257 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 258 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 259 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 260 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 261 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 262 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 263 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 264 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 265 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 266 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 267 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 268 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 269 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 274 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 275 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 276 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 277 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 278 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 279 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 280 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 281 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 282 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 283 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 284 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 285 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 286 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 287 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 288 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 289 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 290 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 291 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 292 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 293 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 294 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 299 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 300 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 301 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 302 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 303 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 304 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 305 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 306 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 307 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 308 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 309 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 310 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 311 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 312 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 313 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 314 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 315 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 316 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 317 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 318 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 319 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 320 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 321 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 322 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 323 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 324 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 329 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 330 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 331 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 332 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 333 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 334 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 335 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 336 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 337 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 338 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 339 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 340 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 341 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 342 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 343 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 344 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 345 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 346 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 347 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 348 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 349 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 350 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 351 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 352 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 353 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 354 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 355 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 356 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 357 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 358 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 359 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 360 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 361 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 362 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 363 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 368 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 369 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 370 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 375 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 376 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 377 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 378 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 379 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 380 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 381 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 382 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 383 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 384 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 389 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 390 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 391 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 392 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 393 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 398 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 399 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 400 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 401 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 402 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 403 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 404 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 405 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 406 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 407 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 408 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 409 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 410 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 411 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 412 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 413 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 414 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 415 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 416 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 417 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 418 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 419 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 420 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 421 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 422 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 423 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 424 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 425 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 426 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 427 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 428 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 429 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 430 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 431 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 432 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 433 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 434 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 435 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 436 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 437 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 438 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 439 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 440 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 441 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 442 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 443 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 444 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 445 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 446 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 447 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 448 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 449 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 450 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 451 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 452 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 453 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 454 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 455 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 456 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 457 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 458 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 459 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 460 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 461 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 462 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 463 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 464 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 465 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 466 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 467 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 468 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 469 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 470 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 471 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 472 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 473 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 474 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 475 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 476 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 477 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 478 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 479 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 480 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 481 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 482 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 483 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 484 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 485 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 486 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 487 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 488 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 489 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 490 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 491 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 492 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 493 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 494 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 495 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 496 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 497 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 498 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 499 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 500 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 501 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 502 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 503 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 504 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 505 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 506 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 507 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 508 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 509 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 510 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 511 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 512 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 513 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 514 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 515 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 516 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 517 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 518 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 519 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 520 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 521 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 522 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 523 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 524 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 525 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 526 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 527 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 528 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 529 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 530 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 531 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 532 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 533 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 534 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 535 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 536 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 537 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 538 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 539 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 540 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 541 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 542 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 543 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 544 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 545 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 546 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 547 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 548 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 549 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 550 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 551 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 552 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 553 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 554 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 555 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 556 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 557 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 558 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 559 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 560 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 561 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 562 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 563 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 564 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 565 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 566 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 567 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 568 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 569 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 570 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 571 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 572 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 573 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 574 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 575 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 576 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 577 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 578 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 579 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 580 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 581 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 582 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 583 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 584 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 585 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 586 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 587 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 588 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 589 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 590 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 591 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 592 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 593 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 594 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 595 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 596 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 597 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo19_s20.cif b/soup/screen/mmcifs/denovo19_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..0344d39117a784a74cae08d9667098b7d28bc490 --- /dev/null +++ b/soup/screen/mmcifs/denovo19_s20.cif @@ -0,0 +1,597 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 15 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 16 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 21 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 22 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 23 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 32 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 33 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 34 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 35 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 36 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 37 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 38 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 39 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 40 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 41 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 42 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 43 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 44 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 45 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 46 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 47 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 48 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 49 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 50 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 51 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 52 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 53 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 54 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 55 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 56 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 57 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 58 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 59 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 60 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 61 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 62 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 63 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 64 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 65 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 66 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 67 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 68 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 69 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 70 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 71 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 72 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 73 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 74 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 75 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 76 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 77 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 78 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 79 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 80 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 81 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 82 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 83 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 84 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 85 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 86 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 87 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 88 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 89 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 94 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 95 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 96 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 97 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 98 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 99 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 100 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 101 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 102 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 103 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 104 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 105 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 106 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 107 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 108 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 109 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 110 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 111 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 112 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 113 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 114 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 115 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 116 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 117 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 118 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 119 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 120 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 121 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 122 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 123 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 124 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 125 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 126 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 127 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 128 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 129 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 130 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 131 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 132 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 133 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 134 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 139 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 140 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 141 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 142 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 143 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 144 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 145 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 150 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 151 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 152 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 157 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 158 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 159 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 160 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 165 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 166 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 167 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 168 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 169 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 170 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 171 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 172 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 173 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 174 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 175 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 176 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 177 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 178 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 179 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 184 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 185 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 186 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 187 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 188 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 189 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 190 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 191 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 196 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 197 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 198 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 199 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 200 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 201 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 202 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 203 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 204 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 205 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 206 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 207 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 208 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 209 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 210 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 211 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 212 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 213 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 214 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 219 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 220 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 221 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 222 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 223 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 224 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 225 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 226 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 227 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 228 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 229 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 230 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 231 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 236 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 237 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 238 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 239 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 240 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 241 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 242 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 243 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 244 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 245 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 246 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 247 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 248 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 249 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 250 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 251 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 252 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 253 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 254 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 255 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 256 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 257 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 258 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 259 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 260 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 261 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 262 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 263 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 264 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 265 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 266 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 267 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 268 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 269 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 274 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 275 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 276 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 277 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 278 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 279 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 280 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 281 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 282 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 283 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 284 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 285 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 286 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 287 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 288 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 289 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 290 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 291 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 292 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 293 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 294 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 295 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 296 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 297 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 298 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 299 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 300 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 301 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 302 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 303 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 304 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 305 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 306 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 307 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 308 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 309 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 310 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 311 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 316 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 317 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 318 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 323 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 328 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 329 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 330 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 331 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 332 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 333 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 334 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 335 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 336 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 337 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 338 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 339 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 340 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 341 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 342 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 343 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 344 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 345 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 346 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 347 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 348 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 349 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 350 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 351 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 352 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 353 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 354 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 355 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 356 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 357 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 362 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 363 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 364 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 365 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 366 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 367 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 368 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 369 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 370 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 371 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 372 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 373 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 374 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 375 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 376 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 377 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 378 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 379 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 380 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 381 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 382 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 383 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 384 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 389 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 390 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 391 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 392 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 393 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 398 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 399 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 400 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 401 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 402 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 403 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 404 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 405 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 406 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 407 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 408 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 409 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 410 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 411 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 412 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 413 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 414 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 415 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 416 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 417 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 418 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 419 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 420 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 421 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 422 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 423 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 424 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 425 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 426 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 427 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 428 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 429 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 430 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 431 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 432 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 433 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 434 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 435 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 436 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 437 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 438 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 439 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 440 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 441 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 442 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 443 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 444 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 445 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 446 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 447 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 448 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 449 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 450 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 451 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 452 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 453 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 454 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 455 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 456 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 457 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 458 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 459 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 460 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 461 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 462 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 463 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 464 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 465 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 466 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 467 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 468 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 473 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 474 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 475 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 476 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 477 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 478 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 479 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 480 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 481 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 482 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 483 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 484 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 485 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 486 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 487 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 488 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 489 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 490 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 491 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 492 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 493 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 494 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 495 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 496 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 497 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 498 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 499 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 500 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 501 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 502 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 503 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 504 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 505 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 506 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 507 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 508 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 509 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 510 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 511 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 512 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 513 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 514 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 515 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 516 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 517 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 518 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 519 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 520 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 521 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 522 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 523 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 524 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 525 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 526 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 527 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 528 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 529 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 530 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 531 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 532 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 533 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 534 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 535 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 536 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 537 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 538 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 539 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 540 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 541 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 542 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 543 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 548 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 549 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 550 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 551 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 552 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 553 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 554 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 555 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 556 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 557 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 558 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 559 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 560 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 561 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 562 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 563 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 564 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 565 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 566 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 567 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 568 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 569 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 570 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 571 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 572 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 573 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 574 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 575 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 576 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 577 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 578 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 579 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 580 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 581 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo1_s20.cif b/soup/screen/mmcifs/denovo1_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d0c020bdfb81e9d88cf64881bb229312f9297c25 --- /dev/null +++ b/soup/screen/mmcifs/denovo1_s20.cif @@ -0,0 +1,570 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 13 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 14 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 15 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 16 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 17 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 22 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 23 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 28 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 29 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 34 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 35 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 36 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 37 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 38 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 43 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 44 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 45 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 46 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 51 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 52 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 53 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 58 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 63 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 64 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 65 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 66 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 71 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 72 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 73 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 78 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 79 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 84 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 89 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 90 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 91 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 96 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 97 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 102 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 103 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 104 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 105 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 106 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 111 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 112 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 113 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 118 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 119 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 120 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 121 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 122 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 123 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 124 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 125 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 126 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 127 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 128 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 129 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 130 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 131 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 132 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 133 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 142 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 143 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 144 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 145 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 146 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 147 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 148 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 149 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 150 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 151 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 152 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 153 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 154 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 155 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 156 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 157 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 158 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 159 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 160 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 161 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 162 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 163 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 164 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 165 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 166 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 167 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 168 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 169 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 174 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 175 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 176 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 177 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 178 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 179 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 180 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 181 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 182 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 183 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 184 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 185 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 186 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 187 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 188 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 189 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 190 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 191 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 192 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 193 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 194 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 195 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 196 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 197 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 198 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 199 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 200 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 201 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 202 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 203 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 204 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 205 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 206 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 207 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 208 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 209 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 210 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 211 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 212 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 213 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 214 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 215 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 216 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 217 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 222 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 223 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 224 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 225 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 226 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 227 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 228 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 229 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 230 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 231 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 232 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 233 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 234 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 235 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 236 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 237 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 238 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 239 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 240 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 241 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 242 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 243 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 244 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 245 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 246 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 247 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 248 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 249 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 250 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 251 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 252 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 253 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 254 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 255 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 256 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 257 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 258 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 259 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 260 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 261 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 262 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 263 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 264 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 265 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 266 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 267 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 268 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 269 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 270 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 271 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 272 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 273 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 274 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 275 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 276 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 277 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 278 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 279 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 280 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 281 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 282 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 283 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 284 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 285 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 286 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 287 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 288 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 289 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 290 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 291 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 292 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 293 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 294 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 295 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 296 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 297 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 298 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 299 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 300 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 301 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 302 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 303 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 304 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 305 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 306 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 307 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 308 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 309 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 310 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 311 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 312 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 313 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 314 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 315 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 316 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 317 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 318 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 319 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 320 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 321 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 322 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 323 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 324 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 325 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 326 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 327 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 328 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 329 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 330 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 331 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 332 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 333 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 334 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 335 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 336 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 337 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 338 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 339 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 340 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 341 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 342 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 343 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 344 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 345 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 346 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 347 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 348 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 349 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 350 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 351 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 352 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 353 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 354 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 355 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 356 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 357 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 358 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 359 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 360 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 361 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 362 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 363 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 364 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 365 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 366 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 367 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 368 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 369 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 370 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 371 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 372 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 373 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 374 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 375 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 376 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 377 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 378 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 379 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 380 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 381 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 382 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 383 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 384 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 385 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 386 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 387 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 388 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 389 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 390 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 391 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 392 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 393 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 394 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 395 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 396 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 397 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 398 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 399 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 400 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 401 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 402 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 403 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 404 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 405 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 406 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 407 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 408 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 409 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 410 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 411 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 412 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 413 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 414 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 415 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 416 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 417 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 418 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 419 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 420 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 421 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 422 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 423 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 424 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 425 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 426 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 427 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 428 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 429 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 430 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 431 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 432 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 433 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 434 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 435 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 436 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 437 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 438 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 439 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 440 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 441 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 442 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 443 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 444 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 445 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 446 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 447 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 448 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 449 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 450 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 451 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 452 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 453 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 454 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 455 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 456 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 457 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 458 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 459 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 460 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 461 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 462 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 463 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 464 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 465 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 466 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 467 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 468 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 469 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 470 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 471 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 472 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 473 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 474 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 475 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 476 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 477 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 478 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 479 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 480 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 481 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 482 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 483 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 484 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 485 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 486 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 487 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 488 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 489 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 490 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 491 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 492 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 493 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 494 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 495 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 496 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 497 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 498 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 499 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 500 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 501 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 502 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 503 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 504 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 505 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 506 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 507 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 508 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 509 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 510 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 511 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 512 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 513 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 514 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 515 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 516 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 517 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 518 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 519 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 520 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 521 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 522 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 523 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 524 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 525 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 526 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 527 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 528 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 529 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 530 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 531 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 532 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 533 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 534 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 535 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 536 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 537 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 538 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 539 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 540 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 541 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 542 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 543 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 544 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 545 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 546 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 547 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 548 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 549 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 550 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 551 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 552 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 553 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 554 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo20_s20.cif b/soup/screen/mmcifs/denovo20_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..8bacedb5ad3ae1839044c52e64d9f332d430365a --- /dev/null +++ b/soup/screen/mmcifs/denovo20_s20.cif @@ -0,0 +1,574 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 10 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 11 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 12 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 13 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 14 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 19 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 20 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 21 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 22 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 27 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 28 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 33 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 34 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 35 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 40 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 41 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 42 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 47 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 48 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 49 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 50 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 55 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 56 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 61 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 62 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 63 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 64 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 65 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 70 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 71 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 72 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 73 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 74 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 75 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 76 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 81 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 82 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 83 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 84 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 85 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 90 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 91 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 100 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 105 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 106 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 107 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 112 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 113 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 114 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 115 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 116 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 117 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 118 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 119 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 120 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 121 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 122 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 123 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 124 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 125 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 126 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 127 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 128 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 133 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 134 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 135 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 136 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 137 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 138 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 139 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 140 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 141 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 142 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 143 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 144 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 145 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 146 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 147 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 148 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 149 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 150 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 155 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 156 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 157 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 162 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 163 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 164 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 165 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 166 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 167 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 168 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 169 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 170 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 171 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 172 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 173 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 174 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 179 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 180 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 181 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 186 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 187 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 188 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 193 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 194 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 195 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 196 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 197 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 198 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 199 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 204 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 205 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 206 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 211 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 212 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 213 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 218 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 219 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 224 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 225 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 230 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 231 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 232 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 237 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 238 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 239 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 244 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 245 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 246 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 251 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 252 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 253 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 254 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 255 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 256 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 257 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 258 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 259 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 260 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 261 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 262 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 263 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 264 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 265 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 266 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 267 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 268 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 269 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 270 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 271 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 272 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 273 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 274 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 275 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 276 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 277 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 278 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 279 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 284 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 285 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 286 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 291 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 292 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 293 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 294 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 295 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 296 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 297 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 298 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 299 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 304 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 305 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 306 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 307 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 308 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 309 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 310 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 311 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 312 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 313 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 314 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 315 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 316 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 317 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 318 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 319 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 320 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 321 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 322 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 323 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 324 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 325 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 326 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 327 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 328 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 329 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 330 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 331 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 332 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 333 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 334 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 335 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 336 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 337 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 338 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 343 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 344 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 345 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 346 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 347 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 348 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 349 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 350 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 351 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 352 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 353 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 354 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 359 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 360 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 361 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 362 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 363 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 364 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 365 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 366 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 367 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 368 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 369 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 370 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 371 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 372 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 373 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 374 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 375 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 376 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 377 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 378 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 379 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 380 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 381 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 382 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 383 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 384 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 385 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 386 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 387 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 388 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 389 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 390 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 391 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 392 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 393 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 398 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 399 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 400 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 401 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 402 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 403 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 404 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 409 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 410 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 411 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 416 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 417 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 418 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 419 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 420 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 421 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 422 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 423 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 424 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 425 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 426 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 427 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 428 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 429 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 430 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 431 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 432 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 433 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 434 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 435 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 440 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 441 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 442 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 443 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 444 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 445 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 446 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 447 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 448 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 449 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 450 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 451 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 452 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 453 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 454 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 455 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 456 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 457 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 458 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 459 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 460 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 461 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 462 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 463 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 464 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 465 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 466 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 467 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 468 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 469 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 470 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 471 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 472 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 473 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 474 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 475 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 476 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 477 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 478 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 479 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 480 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 481 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 482 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 483 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 484 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 485 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 486 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 487 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 488 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 489 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 490 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 491 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 492 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 493 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 494 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 495 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 496 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 497 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 498 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 499 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 500 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 501 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 502 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 503 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 504 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 509 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 510 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 511 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 512 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 513 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 514 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 515 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 516 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 517 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 518 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 519 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 520 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 521 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 522 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 523 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 524 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 525 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 526 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 527 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 528 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 529 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 530 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 531 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 532 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 533 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 534 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 535 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 536 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 537 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 538 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 539 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 540 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 541 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 542 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 543 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 544 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 545 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 546 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 547 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 548 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 549 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 550 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 551 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 552 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 553 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 554 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 555 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 556 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 557 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 558 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo21_s20.cif b/soup/screen/mmcifs/denovo21_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..49a7fa08c12b52cda46cb3dddd3400185ffcbc89 --- /dev/null +++ b/soup/screen/mmcifs/denovo21_s20.cif @@ -0,0 +1,578 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 10 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 11 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 12 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 13 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 14 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 15 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 16 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 17 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 18 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 19 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 20 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 21 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 22 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 23 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 24 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 25 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 30 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 31 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 32 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 37 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 38 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 39 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 40 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 41 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 42 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 43 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 44 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 45 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 46 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 47 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 48 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 49 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 50 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 51 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 52 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 53 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 54 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 55 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 56 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 57 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 58 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 59 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 60 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 65 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 66 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 67 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 68 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 69 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 74 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 75 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 76 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 77 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 82 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 83 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 84 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 85 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 86 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 87 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 88 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 89 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 90 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 91 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 92 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 93 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 94 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 95 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 96 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 97 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 98 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 99 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 100 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 101 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 102 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 103 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 104 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 105 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 106 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 107 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 108 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 113 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 114 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 115 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 116 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 117 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 118 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 119 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 124 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 125 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 126 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 131 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 132 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 133 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 138 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 139 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 140 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 145 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 146 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 147 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 148 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 149 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 150 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 151 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 152 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 153 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 154 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 155 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 156 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 165 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 166 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 167 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 168 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 169 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 170 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 171 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 172 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 173 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 174 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 179 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 180 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 181 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 190 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 191 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 192 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 197 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 198 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 199 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 200 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 201 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 202 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 203 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 204 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 205 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 206 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 207 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 208 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 209 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 210 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 211 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 212 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 213 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 214 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 215 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 216 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 217 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 218 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 219 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 220 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 221 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 222 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 223 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 224 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 225 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 226 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 227 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 228 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 229 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 230 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 231 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 232 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 233 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 234 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 235 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 236 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 237 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 238 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 239 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 240 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 241 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 242 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 243 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 244 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 245 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 246 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 247 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 248 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 249 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 250 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 251 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 252 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 253 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 254 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 255 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 256 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 257 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 258 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 259 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 260 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 261 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 262 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 263 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 264 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 265 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 266 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 267 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 268 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 269 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 270 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 271 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 272 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 273 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 274 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 275 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 276 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 277 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 278 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 279 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 280 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 281 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 282 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 283 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 284 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 285 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 286 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 287 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 288 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 289 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 290 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 291 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 292 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 293 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 294 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 295 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 296 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 297 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 298 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 299 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 300 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 301 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 302 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 303 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 304 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 305 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 306 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 307 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 308 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 309 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 310 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 311 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 312 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 313 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 314 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 315 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 316 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 317 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 318 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 319 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 320 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 321 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 322 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 323 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 324 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 325 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 326 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 327 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 328 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 329 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 330 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 331 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 332 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 333 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 334 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 335 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 336 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 337 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 338 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 339 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 340 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 341 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 342 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 343 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 344 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 345 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 346 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 347 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 348 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 349 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 350 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 351 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 352 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 353 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 354 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 355 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 356 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 357 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 358 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 359 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 360 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 361 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 362 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 363 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 364 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 365 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 366 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 367 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 368 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 369 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 370 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 371 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 372 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 373 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 374 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 375 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 376 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 377 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 378 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 379 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 380 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 381 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 382 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 383 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 384 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 385 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 386 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 387 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 388 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 389 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 390 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 391 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 392 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 393 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 394 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 395 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 396 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 397 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 398 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 399 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 400 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 401 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 402 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 403 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 404 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 405 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 406 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 407 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 408 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 409 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 410 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 411 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 412 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 413 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 414 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 415 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 416 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 417 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 418 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 419 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 420 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 421 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 422 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 423 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 424 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 425 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 426 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 427 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 428 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 429 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 430 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 431 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 432 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 433 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 434 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 435 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 436 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 437 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 438 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 439 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 440 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 441 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 442 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 443 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 444 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 445 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 446 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 447 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 448 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 449 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 450 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 451 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 452 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 453 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 454 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 455 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 456 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 457 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 458 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 459 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 460 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 461 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 462 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 463 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 464 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 465 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 466 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 467 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 468 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 469 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 470 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 471 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 472 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 473 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 474 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 475 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 476 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 477 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 478 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 479 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 480 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 481 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 482 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 483 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 484 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 485 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 486 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 487 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 488 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 489 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 490 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 491 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 492 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 493 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 494 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 495 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 496 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 497 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 498 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 499 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 500 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 501 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 502 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 503 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 504 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 505 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 506 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 507 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 508 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 509 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 510 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 511 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 512 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 513 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 514 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 515 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 516 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 517 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 518 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 519 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 520 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 521 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 522 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 523 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 524 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 525 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 526 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 527 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 528 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 529 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 530 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 531 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 532 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 533 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 534 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 535 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 536 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 537 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 538 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 539 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 540 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 541 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 542 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 543 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 544 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 545 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 546 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 547 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 548 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 549 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 550 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 551 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 552 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 553 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 554 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 555 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 556 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 557 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 558 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 559 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 560 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 561 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 562 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo22_s20.cif b/soup/screen/mmcifs/denovo22_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2b244cc58b4c86c4b563a0492e8198c7630775e9 --- /dev/null +++ b/soup/screen/mmcifs/denovo22_s20.cif @@ -0,0 +1,617 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 15 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 16 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 17 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 22 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 27 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 28 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 29 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 30 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 31 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 36 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 37 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 38 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 47 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 52 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 53 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 54 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 55 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 56 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 57 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 58 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 59 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 60 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 61 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 62 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 63 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 72 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 73 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 74 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 75 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 76 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 77 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 78 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 79 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 80 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 81 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 82 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 83 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 84 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 85 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 86 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 87 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 88 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 89 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 90 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 91 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 92 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 93 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 94 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 95 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 96 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 97 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 98 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 99 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 100 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 101 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 102 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 103 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 104 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 105 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 106 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 107 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 108 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 109 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 110 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 111 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 112 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 113 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 114 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 115 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 116 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 117 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 118 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 119 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 120 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 121 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 122 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 123 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 124 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 125 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 126 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 127 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 128 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 129 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 130 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 131 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 132 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 133 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 134 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 135 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 136 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 137 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 138 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 139 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 140 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 141 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 142 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 143 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 144 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 145 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 146 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 147 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 148 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 149 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 150 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 151 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 152 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 153 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 154 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 155 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 156 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 157 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 158 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 159 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 160 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 161 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 162 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 163 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 164 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 165 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 166 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 167 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 168 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 169 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 170 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 171 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 172 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 173 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 174 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 175 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 176 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 177 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 178 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 179 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 180 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 181 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 182 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 187 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 188 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 189 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 190 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 191 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 192 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 193 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 194 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 195 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 196 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 197 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 198 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 199 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 200 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 201 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 202 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 203 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 204 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 205 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 206 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 207 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 208 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 209 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 210 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 211 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 212 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 213 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 214 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 215 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 216 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 217 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 218 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 219 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 220 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 221 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 222 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 223 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 224 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 225 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 226 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 227 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 228 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 229 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 230 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 231 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 232 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 233 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 234 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 235 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 236 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 237 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 238 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 239 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 240 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 241 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 242 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 243 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 244 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 245 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 246 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 247 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 248 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 249 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 250 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 251 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 252 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 253 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 254 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 255 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 256 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 257 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 258 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 259 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 264 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 265 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 266 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 267 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 268 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 269 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 270 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 271 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 272 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 273 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 278 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 279 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 280 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 281 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 282 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 283 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 284 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 285 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 286 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 287 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 288 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 289 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 290 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 291 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 292 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 293 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 294 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 295 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 296 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 297 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 298 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 299 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 300 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 301 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 302 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 303 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 304 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 305 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 306 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 307 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 308 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 309 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 310 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 311 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 312 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 313 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 314 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 315 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 316 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 317 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 318 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 319 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 320 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 321 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 322 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 323 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 324 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 325 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 326 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 327 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 328 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 329 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 330 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 331 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 332 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 333 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 334 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 335 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 336 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 337 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 338 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 339 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 340 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 341 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 342 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 343 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 344 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 345 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 346 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 347 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 348 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 349 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 350 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 351 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 352 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 353 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 354 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 355 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 356 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 357 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 358 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 359 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 360 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 361 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 362 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 363 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 364 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 365 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 366 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 367 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 368 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 369 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 370 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 375 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 376 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 377 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 378 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 379 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 380 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 381 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 382 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 383 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 384 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 385 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 386 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 387 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 388 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 389 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 390 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 391 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 392 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 393 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 394 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 395 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 396 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 397 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 398 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 399 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 400 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 401 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 402 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 403 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 404 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 405 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 406 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 407 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 408 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 409 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 410 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 411 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 416 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 417 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 418 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 419 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 420 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 421 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 422 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 423 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 424 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 425 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 426 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 427 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 428 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 429 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 430 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 431 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 432 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 433 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 434 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 435 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 436 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 437 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 438 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 439 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 440 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 441 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 442 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 443 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 444 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 445 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 446 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 447 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 448 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 449 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 450 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 451 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 452 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 453 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 454 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 455 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 456 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 457 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 458 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 459 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 460 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 461 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 462 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 463 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 464 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 465 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 466 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 467 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 468 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 469 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 470 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 471 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 472 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 473 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 474 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 475 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 476 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 477 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 478 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 479 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 480 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 481 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 482 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 483 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 484 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 485 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 486 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 487 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 488 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 489 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 490 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 491 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 492 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 493 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 494 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 495 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 496 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 497 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 498 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 499 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 500 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 501 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 502 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 503 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 504 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 505 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 506 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 507 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 508 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 509 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 510 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 511 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 512 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 513 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 514 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 515 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 516 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 517 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 518 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 519 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 520 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 521 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 522 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 523 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 524 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 525 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 526 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 527 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 528 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 529 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 530 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 531 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 532 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 533 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 534 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 535 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 536 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 537 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 538 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 539 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 540 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 541 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 542 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 543 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 544 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 545 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 546 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 547 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 548 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 549 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 550 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 551 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 552 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 553 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 554 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 555 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 556 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 557 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 558 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 559 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 560 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 561 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 562 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 563 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 564 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 565 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 566 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 567 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 568 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 569 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 570 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 571 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 572 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 573 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 574 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 575 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 576 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 577 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 578 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 579 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 584 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 585 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 586 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 587 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 588 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 589 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 590 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 591 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 592 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 593 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 594 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 595 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 596 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 597 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 598 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 599 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 600 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 601 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo23_s20.cif b/soup/screen/mmcifs/denovo23_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..fc3ca0305b431d946f9a17f541a8e126e9fde2c3 --- /dev/null +++ b/soup/screen/mmcifs/denovo23_s20.cif @@ -0,0 +1,620 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 12 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 13 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 14 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 19 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 20 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 21 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 22 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 23 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 24 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 25 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 30 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 31 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 32 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 33 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 34 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 35 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 36 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 37 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 38 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 39 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 40 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 41 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 42 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 43 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 48 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 49 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 50 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 55 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 56 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 57 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 62 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 71 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 72 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 73 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 74 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 79 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 80 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 81 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 82 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 87 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 88 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 89 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 90 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 91 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 92 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 93 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 98 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 99 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 100 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 105 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 106 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 107 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 108 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 109 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 110 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 111 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 112 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 113 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 114 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 115 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 116 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 121 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 122 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 123 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 124 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 129 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 130 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 131 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 132 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 133 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 134 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 135 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 136 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 137 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 142 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 143 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 144 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 145 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 146 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 147 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 148 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 149 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 150 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 151 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 152 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 153 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 154 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 155 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 156 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 157 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 158 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 159 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 160 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 161 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 162 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 163 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 164 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 165 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 166 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 167 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 168 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 169 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 170 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 171 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 172 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 173 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 174 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 175 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 176 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 177 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 178 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 179 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 180 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 181 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 182 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 183 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 184 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 185 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 186 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 187 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 188 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 189 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 190 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 191 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 192 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 193 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 194 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 195 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 196 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 197 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 198 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 199 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 200 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 201 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 202 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 203 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 204 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 205 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 206 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 207 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 208 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 209 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 210 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 211 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 212 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 213 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 214 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 215 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 216 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 217 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 218 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 219 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 220 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 221 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 222 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 223 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 224 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 225 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 226 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 227 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 228 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 229 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 230 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 231 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 232 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 233 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 234 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 235 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 236 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 237 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 238 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 239 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 240 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 241 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 242 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 243 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 244 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 245 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 246 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 247 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 248 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 249 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 250 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 251 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 252 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 253 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 254 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 255 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 256 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 257 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 258 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 259 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 260 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 261 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 262 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 263 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 264 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 265 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 266 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 267 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 268 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 269 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 270 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 271 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 272 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 273 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 274 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 275 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 276 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 277 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 278 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 279 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 280 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 281 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 282 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 283 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 284 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 285 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 286 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 287 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 288 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 289 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 290 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 291 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 292 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 293 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 294 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 295 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 296 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 297 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 298 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 299 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 300 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 301 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 302 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 303 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 304 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 305 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 306 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 307 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 308 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 309 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 310 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 311 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 312 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 313 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 314 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 315 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 316 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 317 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 318 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 319 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 320 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 321 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 322 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 323 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 324 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 325 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 326 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 327 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 328 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 329 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 330 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 331 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 332 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 333 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 334 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 335 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 336 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 337 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 338 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 339 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 340 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 341 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 342 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 343 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 344 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 345 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 346 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 347 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 348 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 349 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 350 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 351 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 352 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 353 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 354 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 355 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 356 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 357 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 358 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 359 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 360 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 361 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 362 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 363 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 364 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 365 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 366 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 367 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 368 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 369 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 370 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 371 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 372 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 373 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 374 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 375 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 376 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 377 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 378 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 379 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 380 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 381 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 382 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 383 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 384 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 385 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 386 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 387 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 388 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 389 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 390 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 391 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 392 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 393 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 394 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 395 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 396 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 397 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 398 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 399 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 400 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 401 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 402 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 403 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 404 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 405 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 406 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 407 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 408 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 409 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 410 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 411 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 412 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 413 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 414 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 415 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 416 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 417 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 418 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 419 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 420 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 421 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 422 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 423 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 424 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 425 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 426 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 427 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 428 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 429 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 430 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 431 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 432 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 433 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 434 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 435 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 436 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 437 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 438 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 439 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 440 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 441 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 442 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 443 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 444 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 445 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 446 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 447 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 448 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 449 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 450 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 451 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 452 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 453 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 454 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 455 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 456 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 457 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 458 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 459 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 460 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 461 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 462 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 463 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 464 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 465 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 466 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 467 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 468 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 469 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 470 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 471 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 472 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 473 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 474 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 475 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 476 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 477 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 478 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 479 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 480 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 481 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 482 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 483 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 484 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 485 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 486 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 487 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 488 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 489 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 490 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 491 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 492 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 493 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 494 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 495 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 496 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 497 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 498 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 499 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 500 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 501 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 502 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 503 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 504 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 505 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 506 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 507 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 508 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 509 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 510 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 511 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 512 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 513 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 514 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 515 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 516 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 517 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 518 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 519 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 520 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 521 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 522 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 523 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 524 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 525 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 526 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 527 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 528 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 529 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 530 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 531 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 532 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 533 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 534 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 535 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 536 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 537 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 538 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 539 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 540 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 541 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 542 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 543 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 544 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 545 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 546 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 547 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 548 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 549 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 550 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 551 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 552 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 553 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 554 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 555 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 556 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 557 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 558 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 559 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 560 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 561 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 562 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 563 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 564 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 565 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 566 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 567 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 568 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 569 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 570 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 571 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 572 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 573 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 574 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 575 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 576 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 577 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 578 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 579 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 580 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 581 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 582 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 583 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 584 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 585 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 586 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 587 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 588 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 589 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 590 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 591 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 592 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 593 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 594 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 595 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 596 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 597 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 598 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 599 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 600 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 601 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 602 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 603 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 604 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo24_s20.cif b/soup/screen/mmcifs/denovo24_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..0caff9d9ab221a45eac86ff7a34bd2d87d4128f8 --- /dev/null +++ b/soup/screen/mmcifs/denovo24_s20.cif @@ -0,0 +1,601 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 13 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 14 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 15 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 16 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 21 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 22 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 23 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 28 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 29 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 30 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 31 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 32 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 33 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 34 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 39 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 40 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 41 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 42 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 43 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 44 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 45 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 46 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 47 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 48 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 49 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 50 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 51 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 52 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 53 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 54 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 59 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 60 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 61 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 62 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 63 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 64 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 65 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 66 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 67 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 68 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 69 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 70 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 71 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 72 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 73 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 74 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 75 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 76 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 77 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 78 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 79 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 80 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 81 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 82 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 83 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 84 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 85 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 86 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 87 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 88 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 89 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 90 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 95 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 96 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 97 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 98 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 99 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 100 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 101 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 102 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 103 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 104 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 105 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 106 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 111 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 112 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 113 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 118 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 119 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 120 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 121 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 122 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 123 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 124 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 125 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 126 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 127 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 128 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 129 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 130 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 131 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 132 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 133 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 134 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 135 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 136 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 137 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 138 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 139 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 140 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 141 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 142 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 143 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 144 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 145 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 146 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 147 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 148 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 149 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 150 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 151 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 152 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 153 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 154 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 155 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 156 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 157 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 158 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 159 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 160 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 161 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 162 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 163 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 164 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 165 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 166 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 167 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 168 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 169 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 174 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 175 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 176 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 177 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 178 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 179 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 180 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 181 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 182 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 183 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 184 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 185 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 186 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 187 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 188 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 189 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 190 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 191 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 192 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 193 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 194 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 195 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 196 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 197 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 198 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 199 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 200 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 201 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 202 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 203 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 204 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 205 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 206 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 207 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 208 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 209 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 210 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 211 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 212 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 213 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 214 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 215 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 216 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 217 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 218 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 219 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 220 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 221 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 222 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 223 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 224 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 225 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 226 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 227 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 228 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 229 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 230 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 231 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 232 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 233 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 234 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 235 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 236 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 237 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 238 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 239 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 240 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 241 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 242 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 243 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 244 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 245 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 246 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 247 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 248 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 249 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 250 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 251 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 252 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 253 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 254 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 255 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 256 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 257 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 258 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 259 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 260 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 261 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 262 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 263 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 264 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 265 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 266 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 267 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 268 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 269 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 270 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 271 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 272 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 273 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 274 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 275 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 276 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 277 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 278 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 279 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 280 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 281 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 282 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 283 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 284 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 285 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 286 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 287 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 288 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 289 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 290 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 291 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 292 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 293 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 294 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 295 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 296 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 297 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 298 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 299 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 300 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 301 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 302 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 303 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 304 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 305 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 306 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 307 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 308 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 309 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 310 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 311 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 312 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 313 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 314 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 315 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 316 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 317 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 318 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 319 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 320 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 321 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 322 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 323 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 328 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 329 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 330 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 331 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 332 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 333 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 334 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 335 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 336 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 337 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 338 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 339 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 340 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 341 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 342 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 343 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 344 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 345 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 346 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 347 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 348 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 349 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 350 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 351 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 352 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 353 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 354 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 355 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 356 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 357 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 358 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 359 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 360 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 361 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 362 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 363 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 364 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 365 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 366 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 367 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 368 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 369 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 370 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 371 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 372 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 373 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 374 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 375 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 376 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 377 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 378 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 379 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 380 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 381 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 382 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 383 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 384 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 385 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 386 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 387 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 388 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 389 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 390 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 391 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 392 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 393 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 394 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 395 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 396 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 397 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 398 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 399 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 400 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 401 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 402 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 403 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 404 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 405 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 406 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 407 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 408 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 409 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 410 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 411 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 412 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 413 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 414 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 415 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 416 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 417 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 418 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 419 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 420 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 421 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 422 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 423 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 424 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 425 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 426 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 427 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 428 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 429 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 430 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 431 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 432 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 433 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 434 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 435 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 436 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 437 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 438 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 443 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 444 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 445 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 446 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 447 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 448 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 449 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 450 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 451 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 452 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 453 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 454 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 455 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 456 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 457 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 458 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 459 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 460 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 461 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 462 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 463 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 464 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 465 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 466 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 467 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 468 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 469 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 470 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 471 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 472 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 473 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 474 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 475 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 476 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 477 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 478 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 479 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 480 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 481 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 482 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 483 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 484 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 485 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 486 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 487 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 488 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 489 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 490 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 491 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 492 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 493 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 494 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 495 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 496 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 497 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 498 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 499 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 500 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 501 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 502 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 503 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 504 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 505 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 506 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 507 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 508 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 509 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 510 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 511 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 512 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 513 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 514 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 515 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 516 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 517 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 518 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 519 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 520 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 521 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 522 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 523 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 524 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 525 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 526 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 527 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 528 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 529 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 530 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 531 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 532 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 533 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 534 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 535 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 536 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 537 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 538 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 539 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 540 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 541 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 542 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 543 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 544 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 545 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 546 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 547 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 548 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 549 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 550 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 551 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 552 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 553 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 554 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 555 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 556 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 557 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 558 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 559 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 560 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 561 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 562 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 563 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 564 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 565 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 566 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 567 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 568 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 569 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 570 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 571 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 572 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 573 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 574 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 575 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 576 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 577 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 578 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 579 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 580 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 581 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 582 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 583 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 584 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 585 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo25_s20.cif b/soup/screen/mmcifs/denovo25_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..85fb109ca406d4b15e3c08088fe1505d9a607b70 --- /dev/null +++ b/soup/screen/mmcifs/denovo25_s20.cif @@ -0,0 +1,618 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 13 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 14 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 15 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 20 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 21 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 22 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 23 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 32 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 33 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 34 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 35 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 36 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 41 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 42 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 43 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 48 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 49 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 50 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 51 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 52 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 57 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 58 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 59 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 60 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 61 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 62 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 63 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 68 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 69 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 70 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 71 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 72 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 73 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 74 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 75 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 76 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 77 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 78 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 79 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 80 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 81 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 82 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 83 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 84 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 85 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 90 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 91 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 100 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 101 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 102 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 103 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 104 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 109 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 110 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 115 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 116 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 117 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 118 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 119 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 120 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 121 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 122 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 123 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 124 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 125 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 126 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 131 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 132 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 133 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 138 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 139 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 140 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 141 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 142 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 147 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 148 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 149 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 150 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 151 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 156 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 157 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 162 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 163 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 164 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 165 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 170 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 171 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 172 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 177 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 178 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 179 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 180 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 181 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 182 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 183 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 184 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 185 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 186 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 187 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 188 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 189 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 190 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 191 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 192 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 193 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 194 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 195 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 196 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 197 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 202 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 207 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 208 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 209 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 214 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 215 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 220 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 221 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 222 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 223 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 224 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 229 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 230 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 231 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 232 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 233 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 234 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 235 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 236 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 237 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 238 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 239 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 240 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 241 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 242 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 247 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 248 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 249 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 250 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 251 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 252 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 253 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 254 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 255 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 256 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 257 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 258 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 259 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 260 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 261 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 262 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 263 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 264 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 265 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 266 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 267 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 268 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 269 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 270 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 271 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 272 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 273 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 274 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 275 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 276 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 277 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 278 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 279 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 280 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 281 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 282 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 283 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 284 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 285 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 286 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 287 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 288 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 289 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 290 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 291 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 296 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 297 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 298 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 299 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 300 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 301 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 302 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 303 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 304 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 305 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 306 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 307 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 308 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 309 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 310 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 311 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 312 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 313 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 314 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 315 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 316 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 317 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 318 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 319 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 320 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 321 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 322 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 323 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 324 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 325 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 326 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 327 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 328 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 329 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 330 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 331 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 332 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 333 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 334 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 335 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 336 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 337 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 338 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 339 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 340 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 341 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 342 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 343 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 344 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 345 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 346 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 347 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 348 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 349 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 350 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 351 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 352 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 353 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 354 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 355 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 356 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 357 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 358 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 359 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 360 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 361 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 362 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 363 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 364 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 365 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 366 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 367 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 368 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 369 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 370 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 371 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 372 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 373 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 374 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 375 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 376 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 377 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 378 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 379 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 380 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 381 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 382 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 383 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 384 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 385 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 386 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 387 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 388 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 389 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 390 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 391 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 392 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 393 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 394 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 395 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 396 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 397 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 398 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 399 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 400 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 401 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 402 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 403 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 404 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 405 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 406 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 407 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 408 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 409 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 410 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 411 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 412 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 413 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 414 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 415 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 416 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 417 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 418 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 419 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 420 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 421 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 422 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 423 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 424 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 425 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 426 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 427 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 428 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 429 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 430 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 431 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 432 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 433 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 434 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 435 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 436 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 437 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 438 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 439 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 440 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 441 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 442 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 443 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 444 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 445 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 446 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 447 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 448 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 449 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 450 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 451 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 452 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 453 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 454 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 455 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 456 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 457 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 458 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 459 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 460 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 461 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 462 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 463 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 464 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 465 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 466 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 467 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 468 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 469 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 470 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 471 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 472 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 473 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 474 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 475 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 476 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 477 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 478 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 479 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 480 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 481 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 482 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 483 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 484 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 485 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 486 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 487 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 488 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 489 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 490 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 491 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 492 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 493 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 494 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 495 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 496 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 497 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 498 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 499 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 500 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 501 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 502 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 503 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 504 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 505 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 506 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 507 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 508 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 509 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 510 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 511 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 512 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 513 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 514 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 515 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 516 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 517 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 518 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 519 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 520 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 521 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 522 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 523 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 524 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 525 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 526 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 527 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 528 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 529 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 530 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 531 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 532 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 533 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 534 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 535 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 536 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 537 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 538 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 539 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 540 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 541 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 542 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 543 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 544 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 545 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 546 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 547 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 548 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 549 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 550 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 551 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 552 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 553 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 554 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 555 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 556 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 557 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 558 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 559 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 560 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 561 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 562 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 563 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 564 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 565 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 566 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 567 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 568 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 569 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 570 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 571 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 572 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 573 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 574 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 575 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 576 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 577 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 578 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 579 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 580 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 581 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 582 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 583 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 584 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 585 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 586 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 587 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 588 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 589 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 590 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 591 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 592 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 593 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 594 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 595 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 596 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 597 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 598 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 599 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 600 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 601 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 602 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo26_s20.cif b/soup/screen/mmcifs/denovo26_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..2e0ea6ada7e660de2c3d4fbcff3a8aff38bebc2d --- /dev/null +++ b/soup/screen/mmcifs/denovo26_s20.cif @@ -0,0 +1,589 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 13 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 14 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 15 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 16 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 17 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 22 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 23 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 24 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 29 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 34 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 35 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 36 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 37 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 38 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 43 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 44 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 45 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 46 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 51 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 52 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 53 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 58 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 59 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 60 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 61 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 70 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 71 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 72 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 77 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 78 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 79 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 84 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 85 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 86 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 87 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 92 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 93 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 94 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 99 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 100 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 105 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 106 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 107 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 112 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 113 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 114 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 115 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 116 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 117 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 118 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 119 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 120 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 121 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 126 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 127 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 128 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 133 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 134 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 135 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 140 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 141 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 142 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 147 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 148 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 149 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 150 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 151 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 156 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 157 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 158 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 159 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 160 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 161 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 162 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 163 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 164 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 165 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 166 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 167 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 168 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 169 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 174 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 175 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 176 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 177 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 178 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 179 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 180 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 181 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 182 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 183 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 184 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 185 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 186 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 187 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 188 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 189 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 190 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 191 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 192 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 193 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 194 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 195 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 196 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 197 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 198 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 199 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 200 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 201 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 202 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 203 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 204 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 205 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 206 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 207 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 208 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 209 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 210 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 211 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 212 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 213 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 214 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 215 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 216 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 217 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 222 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 223 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 224 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 225 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 226 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 227 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 228 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 229 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 230 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 231 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 232 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 233 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 234 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 235 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 236 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 237 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 238 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 239 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 240 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 241 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 242 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 243 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 244 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 245 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 246 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 247 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 248 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 249 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 250 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 251 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 252 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 253 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 254 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 255 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 256 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 257 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 258 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 259 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 260 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 261 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 262 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 263 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 264 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 265 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 266 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 267 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 268 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 269 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 270 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 271 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 272 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 273 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 274 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 275 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 276 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 277 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 278 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 279 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 280 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 281 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 282 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 283 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 284 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 285 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 286 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 287 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 288 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 289 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 290 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 291 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 292 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 293 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 294 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 295 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 296 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 297 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 298 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 299 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 300 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 301 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 302 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 303 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 304 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 305 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 306 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 307 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 308 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 309 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 310 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 311 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 312 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 313 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 314 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 315 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 316 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 317 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 318 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 319 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 320 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 321 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 322 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 323 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 324 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 325 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 326 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 327 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 328 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 329 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 330 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 331 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 332 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 333 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 334 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 335 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 336 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 337 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 338 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 339 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 340 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 341 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 342 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 343 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 344 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 345 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 346 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 347 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 348 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 349 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 350 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 351 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 352 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 353 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 354 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 355 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 360 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 361 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 362 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 363 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 368 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 369 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 370 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 371 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 372 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 373 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 374 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 375 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 376 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 377 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 378 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 379 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 380 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 381 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 382 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 383 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 384 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 385 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 386 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 387 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 388 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 389 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 390 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 391 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 392 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 393 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 394 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 395 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 396 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 397 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 398 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 399 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 400 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 401 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 402 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 403 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 404 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 405 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 406 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 407 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 408 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 409 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 410 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 411 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 412 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 413 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 414 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 415 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 416 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 417 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 418 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 419 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 420 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 421 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 422 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 423 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 424 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 425 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 426 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 427 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 428 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 429 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 430 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 431 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 432 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 433 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 434 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 435 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 436 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 437 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 438 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 439 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 440 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 441 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 442 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 443 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 444 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 445 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 446 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 447 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 448 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 449 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 450 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 451 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 452 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 453 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 454 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 455 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 456 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 457 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 458 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 459 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 460 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 461 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 462 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 467 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 468 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 469 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 470 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 471 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 472 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 473 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 474 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 475 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 480 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 481 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 482 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 483 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 484 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 485 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 486 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 487 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 488 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 489 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 490 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 491 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 492 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 493 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 494 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 495 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 496 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 497 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 498 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 499 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 500 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 501 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 502 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 503 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 504 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 505 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 506 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 507 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 508 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 509 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 510 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 511 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 512 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 513 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 514 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 515 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 516 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 517 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 518 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 519 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 520 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 521 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 522 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 523 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 524 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 525 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 526 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 527 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 528 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 529 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 530 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 531 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 532 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 533 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 534 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 535 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 536 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 537 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 538 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 539 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 540 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 541 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 542 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 543 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 544 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 545 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 550 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 551 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 552 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 553 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 554 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 555 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 556 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 557 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 558 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 559 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 560 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 561 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 562 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 563 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 564 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 565 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 566 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 567 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 568 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 569 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 570 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 571 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 572 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 573 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo27_s20.cif b/soup/screen/mmcifs/denovo27_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..231a8bdd654daf79d964d4094b5d247686793e03 --- /dev/null +++ b/soup/screen/mmcifs/denovo27_s20.cif @@ -0,0 +1,582 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 20 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 21 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 22 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 31 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 32 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 33 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 34 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 35 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 40 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 41 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 46 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 47 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 48 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 49 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 54 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 55 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 56 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 57 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 58 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 63 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 64 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 65 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 70 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 71 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 72 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 77 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 78 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 79 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 84 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 85 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 86 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 87 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 88 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 89 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 94 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 95 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 96 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 97 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 98 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 103 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 104 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 105 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 110 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 111 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 112 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 113 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 118 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 119 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 120 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 125 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 126 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 127 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 128 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 129 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 130 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 131 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 132 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 133 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 134 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 135 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 136 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 137 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 138 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 139 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 140 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 141 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 142 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 143 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 144 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 145 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 146 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 147 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 148 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 149 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 150 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 151 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 152 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 153 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 154 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 155 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 156 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 157 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 158 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 159 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 160 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 161 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 162 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 163 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 164 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 165 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 166 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 167 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 168 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 169 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 170 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 171 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 172 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 173 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 174 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 175 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 176 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 177 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 178 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 179 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 180 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 181 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 182 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 187 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 188 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 189 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 190 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 191 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 192 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 193 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 194 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 195 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 196 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 197 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 198 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 199 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 200 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 201 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 202 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 203 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 204 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 205 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 206 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 207 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 208 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 209 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 210 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 211 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 212 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 213 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 214 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 215 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 216 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 217 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 218 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 219 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 220 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 221 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 222 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 223 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 224 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 225 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 226 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 227 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 228 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 229 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 230 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 231 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 232 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 233 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 234 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 235 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 236 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 237 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 238 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 239 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 240 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 241 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 242 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 243 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 244 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 245 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 246 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 247 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 248 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 249 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 250 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 251 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 252 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 253 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 254 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 255 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 256 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 257 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 258 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 259 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 260 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 261 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 262 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 263 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 264 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 265 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 266 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 267 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 268 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 269 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 270 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 271 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 272 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 273 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 274 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 275 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 276 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 277 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 278 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 279 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 280 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 281 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 282 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 283 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 284 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 285 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 286 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 287 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 288 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 289 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 290 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 291 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 292 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 293 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 294 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 295 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 296 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 297 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 298 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 299 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 300 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 301 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 302 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 303 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 304 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 305 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 306 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 307 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 308 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 309 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 310 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 311 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 312 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 313 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 314 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 315 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 316 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 317 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 318 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 319 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 320 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 321 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 322 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 323 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 324 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 325 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 326 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 327 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 328 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 329 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 330 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 331 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 332 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 333 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 334 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 335 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 336 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 337 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 338 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 339 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 340 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 341 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 342 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 343 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 344 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 345 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 346 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 347 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 348 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 349 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 350 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 351 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 352 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 353 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 354 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 355 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 356 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 357 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 358 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 359 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 360 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 361 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 362 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 363 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 364 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 365 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 366 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 367 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 368 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 369 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 370 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 371 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 372 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 373 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 374 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 375 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 376 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 377 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 378 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 379 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 380 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 381 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 382 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 383 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 384 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 385 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 386 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 387 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 388 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 389 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 390 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 391 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 392 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 393 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 394 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 395 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 396 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 397 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 398 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 399 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 400 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 401 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 402 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 403 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 404 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 405 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 406 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 407 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 408 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 409 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 410 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 411 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 412 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 413 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 414 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 415 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 416 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 417 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 418 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 419 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 420 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 421 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 422 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 423 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 424 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 425 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 426 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 427 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 428 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 429 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 430 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 431 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 432 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 433 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 434 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 435 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 436 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 437 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 438 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 439 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 440 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 441 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 442 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 443 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 444 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 445 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 446 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 447 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 448 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 449 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 450 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 451 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 452 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 453 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 454 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 455 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 456 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 457 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 458 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 459 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 460 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 461 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 462 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 463 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 464 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 465 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 466 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 467 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 468 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 469 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 470 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 471 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 472 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 473 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 474 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 475 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 476 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 477 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 478 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 479 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 480 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 481 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 482 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 483 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 484 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 485 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 486 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 487 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 488 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 489 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 490 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 491 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 492 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 493 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 494 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 495 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 496 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 497 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 498 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 499 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 500 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 501 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 502 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 503 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 504 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 505 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 506 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 507 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 508 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 509 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 510 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 511 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 512 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 513 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 514 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 515 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 516 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 517 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 518 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 519 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 520 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 521 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 522 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 523 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 524 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 525 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 526 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 527 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 528 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 529 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 530 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 531 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 532 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 533 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 534 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 535 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 536 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 537 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 538 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 539 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 540 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 541 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 542 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 543 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 544 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 545 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 546 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 547 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 548 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 549 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 550 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 551 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 552 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 553 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 554 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 555 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 556 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 557 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 558 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 559 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 560 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 561 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 562 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 563 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 564 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 565 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 566 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo28_s20.cif b/soup/screen/mmcifs/denovo28_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..73f2b5244db790223e2d0acc30c413a15bd59301 --- /dev/null +++ b/soup/screen/mmcifs/denovo28_s20.cif @@ -0,0 +1,597 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 11 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 12 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 13 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 18 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 19 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 20 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 21 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 22 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 27 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 28 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 33 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 34 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 35 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 36 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 37 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 42 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 43 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 44 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 49 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 50 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 51 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 56 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 57 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 58 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 63 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 64 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 65 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 70 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 71 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 72 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 77 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 78 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 79 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 80 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 81 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 86 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 87 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 88 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 89 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 90 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 95 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 96 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 97 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 98 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 99 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 100 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 101 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 102 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 103 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 104 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 105 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 106 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 107 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 108 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 109 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 110 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 111 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 112 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 113 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 114 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 115 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 120 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 121 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 122 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 123 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 124 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 125 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 126 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 131 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 136 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 137 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 138 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 139 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 140 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 141 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 142 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 143 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 144 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 145 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 146 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 147 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 148 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 149 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 150 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 151 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 152 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 157 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 158 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 159 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 164 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 165 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 166 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 167 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 168 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 169 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 170 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 171 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 172 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 173 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 174 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 179 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 180 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 181 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 182 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 183 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 184 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 185 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 186 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 187 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 188 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 189 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 194 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 195 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 196 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 197 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 198 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 199 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 200 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 201 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 202 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 203 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 204 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 205 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 206 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 207 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 208 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 209 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 210 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 211 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 212 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 213 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 214 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 215 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 216 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 217 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 218 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 219 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 220 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 221 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 222 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 223 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 224 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 225 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 226 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 227 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 228 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 229 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 230 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 231 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 232 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 233 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 234 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 235 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 236 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 237 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 238 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 239 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 240 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 241 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 242 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 243 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 244 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 245 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 246 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 247 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 248 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 249 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 250 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 251 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 252 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 253 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 254 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 255 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 256 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 257 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 258 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 259 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 260 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 261 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 262 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 263 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 264 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 265 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 266 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 267 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 268 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 269 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 270 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 271 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 272 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 273 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 274 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 275 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 276 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 277 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 278 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 279 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 280 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 281 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 282 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 283 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 284 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 285 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 286 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 287 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 288 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 289 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 290 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 291 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 292 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 293 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 294 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 295 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 296 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 297 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 298 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 299 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 300 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 301 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 302 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 303 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 304 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 305 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 306 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 307 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 308 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 309 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 310 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 311 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 312 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 313 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 314 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 315 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 316 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 317 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 318 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 319 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 320 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 321 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 322 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 323 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 324 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 325 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 326 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 327 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 328 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 329 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 330 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 331 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 332 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 333 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 334 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 335 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 336 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 337 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 338 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 339 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 340 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 341 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 342 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 343 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 344 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 345 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 346 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 347 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 348 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 349 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 350 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 351 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 352 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 353 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 354 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 355 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 356 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 357 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 358 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 359 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 360 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 361 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 362 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 363 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 364 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 365 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 366 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 367 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 368 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 369 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 370 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 371 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 372 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 373 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 374 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 375 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 376 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 377 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 378 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 379 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 380 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 381 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 382 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 383 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 384 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 385 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 386 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 387 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 388 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 389 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 390 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 391 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 392 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 393 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 394 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 395 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 396 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 397 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 398 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 399 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 400 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 401 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 402 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 403 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 404 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 405 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 406 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 407 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 408 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 409 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 410 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 411 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 412 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 413 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 414 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 415 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 416 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 417 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 418 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 419 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 420 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 421 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 422 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 423 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 424 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 425 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 426 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 427 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 428 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 429 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 430 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 431 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 432 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 433 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 434 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 435 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 436 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 437 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 438 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 439 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 440 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 441 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 442 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 443 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 444 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 445 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 446 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 447 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 448 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 449 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 450 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 451 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 452 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 453 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 454 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 455 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 456 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 457 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 458 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 459 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 460 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 461 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 462 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 463 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 464 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 465 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 466 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 467 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 468 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 469 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 470 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 471 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 472 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 473 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 474 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 475 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 476 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 477 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 478 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 479 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 480 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 481 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 482 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 483 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 484 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 485 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 486 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 487 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 492 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 493 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 494 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 495 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 496 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 497 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 498 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 499 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 500 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 501 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 502 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 503 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 504 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 505 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 506 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 507 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 508 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 509 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 510 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 511 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 512 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 513 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 514 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 515 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 516 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 517 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 518 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 519 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 520 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 521 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 522 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 523 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 524 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 525 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 526 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 527 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 528 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 529 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 530 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 531 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 532 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 533 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 534 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 535 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 536 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 537 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 538 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 539 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 540 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 541 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 542 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 543 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 544 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 545 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 546 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 547 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 548 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 549 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 550 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 551 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 552 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 553 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 554 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 555 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 556 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 557 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 558 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 559 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 560 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 561 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 562 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 563 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 564 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 565 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 566 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 567 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 568 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 569 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 570 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 571 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 572 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 573 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 574 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 578 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 579 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 580 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 581 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo29_s20.cif b/soup/screen/mmcifs/denovo29_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..a74da68350bf3579f6f4eb7f4d46a7787d35ae1d --- /dev/null +++ b/soup/screen/mmcifs/denovo29_s20.cif @@ -0,0 +1,554 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 20 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 21 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 22 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 23 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 32 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 33 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 34 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 43 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 44 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 45 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 46 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 47 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 48 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 49 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 50 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 51 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 52 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 53 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 54 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 55 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 56 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 57 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 58 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 59 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 60 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 61 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 62 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 63 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 64 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 65 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 66 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 67 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 68 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 69 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 70 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 71 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 72 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 73 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 74 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 75 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 76 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 77 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 78 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 79 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 80 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 81 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 82 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 83 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 84 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 85 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 86 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 87 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 88 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 89 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 90 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 91 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 92 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 93 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 94 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 95 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 96 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 97 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 98 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 99 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 100 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 101 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 102 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 103 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 104 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 105 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 106 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 107 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 108 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 109 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 110 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 111 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 112 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 113 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 114 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 115 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 116 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 117 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 118 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 119 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 120 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 121 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 122 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 123 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 124 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 125 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 126 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 127 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 128 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 129 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 130 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 131 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 132 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 133 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 134 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 135 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 136 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 137 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 138 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 139 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 140 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 141 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 142 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 143 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 144 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 145 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 146 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 147 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 148 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 149 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 150 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 151 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 152 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 153 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 154 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 155 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 156 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 157 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 158 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 159 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 160 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 161 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 162 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 163 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 164 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 165 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 166 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 167 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 168 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 169 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 170 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 171 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 172 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 173 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 174 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 175 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 176 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 177 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 178 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 179 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 180 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 181 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 182 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 187 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 188 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 189 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 190 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 191 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 192 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 193 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 194 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 195 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 196 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 197 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 198 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 199 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 200 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 201 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 202 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 203 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 204 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 205 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 206 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 207 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 208 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 209 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 210 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 211 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 212 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 213 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 214 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 215 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 216 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 217 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 218 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 219 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 220 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 221 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 222 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 223 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 224 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 225 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 226 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 227 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 228 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 229 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 230 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 231 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 232 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 233 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 234 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 235 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 236 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 237 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 238 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 239 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 240 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 241 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 242 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 243 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 244 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 245 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 246 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 247 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 248 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 249 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 250 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 251 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 252 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 253 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 254 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 255 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 256 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 257 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 258 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 259 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 260 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 261 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 262 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 263 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 264 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 265 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 266 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 267 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 268 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 269 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 270 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 271 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 272 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 273 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 274 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 275 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 276 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 277 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 278 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 279 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 280 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 281 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 282 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 283 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 284 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 285 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 286 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 287 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 288 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 289 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 290 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 291 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 292 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 293 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 294 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 295 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 296 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 297 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 298 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 299 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 300 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 301 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 302 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 303 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 304 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 305 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 306 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 307 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 308 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 309 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 310 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 311 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 312 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 313 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 314 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 315 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 316 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 317 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 318 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 319 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 320 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 321 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 322 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 323 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 324 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 325 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 326 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 327 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 328 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 329 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 330 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 331 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 332 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 333 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 334 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 335 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 336 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 337 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 338 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 339 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 340 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 341 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 342 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 343 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 344 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 345 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 346 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 347 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 348 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 349 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 350 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 351 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 352 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 353 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 354 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 355 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 356 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 357 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 358 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 359 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 360 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 361 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 362 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 363 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 364 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 365 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 366 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 367 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 368 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 369 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 370 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 371 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 372 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 373 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 374 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 375 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 376 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 377 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 378 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 379 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 380 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 381 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 382 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 383 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 384 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 385 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 386 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 387 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 388 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 389 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 390 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 391 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 392 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 393 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 394 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 395 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 396 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 397 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 398 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 399 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 400 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 401 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 402 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 403 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 404 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 405 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 406 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 407 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 408 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 409 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 410 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 411 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 412 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 413 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 414 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 415 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 416 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 417 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 418 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 419 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 420 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 421 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 422 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 423 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 424 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 425 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 426 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 427 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 428 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 429 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 430 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 431 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 432 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 433 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 434 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 435 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 436 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 437 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 438 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 439 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 440 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 441 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 442 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 443 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 444 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 445 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 446 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 447 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 448 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 449 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 450 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 451 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 452 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 453 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 454 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 455 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 456 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 457 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 458 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 459 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 460 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 461 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 462 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 463 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 464 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 465 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 466 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 467 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 468 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 469 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 470 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 471 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 472 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 473 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 474 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 475 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 476 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 477 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 478 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 479 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 480 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 481 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 482 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 483 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 484 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 485 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 486 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 487 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 488 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 489 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 490 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 491 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 492 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 493 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 494 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 495 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 496 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 497 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 498 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 499 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 500 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 501 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 502 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 503 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 504 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 505 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 506 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 507 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 508 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 509 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 510 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 511 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 512 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 513 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 514 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 515 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 516 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 517 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 518 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 519 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 520 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 521 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 522 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 523 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 524 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 525 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 526 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 527 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 528 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 529 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 530 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 531 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 532 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 533 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 534 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 535 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 536 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 537 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 538 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo2_s20.cif b/soup/screen/mmcifs/denovo2_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..5948ba5285fda0b3426b803f7c6b74015804f024 --- /dev/null +++ b/soup/screen/mmcifs/denovo2_s20.cif @@ -0,0 +1,617 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 15 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 16 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 17 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 18 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 19 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 24 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 25 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 30 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 31 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 32 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 33 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 34 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 39 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 40 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 45 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 50 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 51 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 52 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 57 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 58 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 59 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 60 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 61 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 70 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 71 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 72 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 73 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 74 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 75 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 76 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 81 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 82 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 83 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 88 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 89 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 90 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 91 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 92 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 93 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 94 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 95 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 96 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 97 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 98 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 99 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 100 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 101 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 102 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 103 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 104 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 105 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 106 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 107 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 108 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 109 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 110 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 111 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 112 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 113 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 114 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 115 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 116 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 117 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 118 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 119 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 120 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 121 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 122 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 123 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 124 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 125 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 126 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 127 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 128 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 129 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 130 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 131 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 132 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 133 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 134 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 135 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 136 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 137 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 138 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 139 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 140 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 141 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 142 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 143 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 144 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 145 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 146 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 147 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 148 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 149 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 150 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 151 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 152 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 153 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 154 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 155 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 156 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 157 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 158 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 159 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 160 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 161 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 162 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 163 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 164 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 165 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 166 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 167 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 168 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 169 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 170 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 171 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 172 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 173 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 174 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 175 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 176 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 177 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 178 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 179 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 180 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 181 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 182 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 183 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 184 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 185 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 186 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 187 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 188 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 189 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 190 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 191 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 192 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 193 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 194 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 195 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 196 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 197 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 198 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 199 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 200 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 201 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 202 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 203 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 204 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 205 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 206 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 207 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 208 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 209 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 210 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 211 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 212 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 213 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 214 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 215 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 216 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 217 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 218 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 219 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 220 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 221 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 222 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 223 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 224 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 225 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 226 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 227 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 228 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 229 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 230 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 231 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 232 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 233 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 234 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 235 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 236 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 237 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 238 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 239 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 240 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 241 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 242 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 243 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 244 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 245 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 246 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 247 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 248 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 249 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 250 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 251 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 252 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 253 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 254 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 255 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 256 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 257 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 258 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 259 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 260 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 261 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 262 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 263 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 264 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 265 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 266 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 267 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 268 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 269 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 270 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 271 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 272 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 273 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 274 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 275 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 276 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 277 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 278 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 279 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 280 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 281 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 282 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 283 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 284 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 285 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 286 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 287 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 288 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 289 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 290 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 291 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 292 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 293 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 294 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 295 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 296 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 297 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 298 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 299 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 300 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 301 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 302 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 303 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 304 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 305 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 306 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 307 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 308 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 309 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 310 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 311 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 312 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 313 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 314 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 315 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 316 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 317 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 318 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 319 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 320 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 321 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 322 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 323 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 324 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 325 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 326 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 327 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 328 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 329 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 330 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 331 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 332 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 333 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 334 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 335 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 336 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 337 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 338 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 339 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 340 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 341 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 342 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 343 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 344 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 345 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 346 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 347 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 348 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 349 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 350 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 351 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 352 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 353 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 354 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 355 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 356 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 357 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 358 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 359 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 360 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 361 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 362 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 363 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 364 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 365 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 366 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 367 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 368 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 369 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 370 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 371 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 372 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 373 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 374 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 375 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 376 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 377 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 378 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 379 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 380 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 381 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 382 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 383 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 384 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 385 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 386 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 387 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 388 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 389 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 390 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 391 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 392 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 393 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 394 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 395 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 396 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 397 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 398 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 399 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 400 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 401 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 402 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 403 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 404 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 405 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 406 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 407 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 408 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 409 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 410 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 411 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 412 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 413 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 414 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 415 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 416 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 417 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 418 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 419 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 420 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 421 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 422 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 423 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 424 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 425 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 426 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 427 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 428 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 429 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 430 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 431 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 432 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 433 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 434 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 435 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 436 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 437 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 438 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 439 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 440 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 441 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 442 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 443 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 444 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 445 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 446 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 447 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 448 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 449 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 450 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 451 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 452 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 453 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 454 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 455 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 456 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 457 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 458 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 459 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 460 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 461 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 462 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 463 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 464 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 465 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 466 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 467 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 468 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 469 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 470 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 471 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 472 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 473 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 474 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 475 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 476 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 477 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 478 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 479 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 480 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 481 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 482 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 483 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 484 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 485 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 486 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 487 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 488 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 489 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 490 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 491 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 492 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 493 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 494 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 495 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 496 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 497 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 498 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 499 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 500 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 501 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 502 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 503 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 504 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 505 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 506 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 507 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 508 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 509 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 510 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 511 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 512 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 513 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 514 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 515 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 516 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 517 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 518 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 519 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 520 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 521 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 522 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 523 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 524 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 525 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 526 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 527 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 528 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 529 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 530 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 531 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 532 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 533 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 534 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 535 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 536 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 537 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 538 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 539 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 540 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 541 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 542 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 543 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 544 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 545 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 546 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 547 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 548 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 549 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 550 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 551 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 552 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 553 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 554 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 555 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 556 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 557 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 558 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 559 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 560 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 561 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 562 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 563 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 564 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 565 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 566 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 567 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 568 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 569 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 570 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 571 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 572 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 573 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 574 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 575 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 576 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 577 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 578 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 579 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 580 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 581 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 582 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 583 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 584 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 585 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 586 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 587 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 588 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 589 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 590 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 591 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 592 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 593 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 594 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 595 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 596 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 597 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 598 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 599 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 600 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 601 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo30_s20.cif b/soup/screen/mmcifs/denovo30_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6928dd75c1794404dc1ebeb57fa5348718d0e4e1 --- /dev/null +++ b/soup/screen/mmcifs/denovo30_s20.cif @@ -0,0 +1,607 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 13 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 14 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 15 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 20 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 21 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 22 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 23 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 24 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 29 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 30 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 31 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 32 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 33 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 34 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 35 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 36 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 37 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 38 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 39 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 44 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 45 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 46 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 47 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 48 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 53 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 54 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 59 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 60 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 61 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 66 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 67 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 68 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 69 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 70 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 71 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 72 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 73 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 74 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 75 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 76 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 77 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 78 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 79 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 84 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 85 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 86 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 87 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 88 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 89 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 90 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 95 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 100 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 101 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 106 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 107 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 108 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 109 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 110 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 115 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 116 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 121 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 122 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 123 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 124 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 125 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 126 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 127 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 128 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 129 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 130 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 131 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 132 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 133 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 134 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 135 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 136 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 137 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 138 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 139 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 140 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 141 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 142 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 143 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 144 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 145 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 146 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 147 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 148 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 149 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 150 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 151 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 152 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 153 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 154 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 155 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 156 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 157 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 158 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 159 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 160 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 161 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 162 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 163 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 164 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 165 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 166 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 167 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 168 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 169 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 170 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 171 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 172 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 173 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 174 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 175 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 176 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 177 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 178 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 179 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 180 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 181 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 182 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 183 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 184 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 185 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 186 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 187 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 188 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 189 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 190 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 191 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 192 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 193 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 194 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 195 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 196 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 197 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 198 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 199 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 200 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 201 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 202 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 203 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 204 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 205 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 206 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 207 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 208 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 209 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 210 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 211 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 212 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 213 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 214 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 215 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 216 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 217 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 218 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 219 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 220 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 221 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 222 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 223 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 224 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 225 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 226 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 227 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 228 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 229 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 230 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 231 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 232 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 233 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 234 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 235 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 236 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 237 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 238 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 239 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 240 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 241 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 242 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 243 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 244 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 245 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 246 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 247 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 248 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 249 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 250 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 251 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 252 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 253 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 254 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 255 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 256 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 257 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 258 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 259 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 260 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 261 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 262 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 263 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 264 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 265 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 266 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 267 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 268 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 269 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 270 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 271 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 272 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 273 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 274 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 275 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 276 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 277 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 278 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 279 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 280 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 281 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 282 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 283 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 284 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 285 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 286 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 287 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 288 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 289 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 290 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 291 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 292 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 293 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 294 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 295 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 296 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 297 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 298 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 299 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 300 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 301 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 302 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 303 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 304 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 305 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 306 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 307 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 308 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 309 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 310 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 311 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 316 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 317 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 318 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 319 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 320 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 321 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 322 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 323 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 324 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 325 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 326 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 327 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 328 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 329 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 330 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 331 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 332 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 333 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 334 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 335 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 336 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 337 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 338 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 339 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 340 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 341 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 342 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 343 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 344 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 345 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 346 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 347 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 348 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 349 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 350 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 351 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 352 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 353 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 354 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 355 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 356 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 357 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 362 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 363 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 364 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 365 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 366 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 367 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 368 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 369 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 370 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 371 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 372 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 373 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 378 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 379 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 380 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 381 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 382 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 383 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 384 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 385 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 386 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 387 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 388 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 389 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 390 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 391 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 392 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 393 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 394 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 395 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 396 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 397 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 398 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 399 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 400 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 401 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 402 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 403 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 404 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 405 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 406 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 407 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 408 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 409 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 410 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 411 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 412 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 413 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 414 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 415 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 416 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 417 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 418 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 419 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 420 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 421 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 422 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 423 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 424 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 425 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 426 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 427 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 428 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 429 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 430 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 431 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 432 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 433 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 434 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 435 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 436 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 437 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 438 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 439 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 440 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 441 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 442 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 443 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 444 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 445 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 446 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 447 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 448 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 449 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 450 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 451 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 452 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 453 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 454 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 455 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 456 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 457 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 458 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 459 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 460 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 461 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 462 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 463 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 464 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 465 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 466 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 467 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 468 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 469 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 470 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 471 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 472 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 473 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 478 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 479 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 480 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 481 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 482 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 483 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 484 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 485 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 486 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 487 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 488 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 489 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 490 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 491 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 492 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 493 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 494 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 495 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 496 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 497 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 498 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 499 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 500 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 501 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 502 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 503 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 504 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 505 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 506 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 507 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 508 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 509 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 510 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 511 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 512 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 513 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 514 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 515 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 516 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 517 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 518 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 519 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 520 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 521 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 522 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 523 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 524 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 525 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 526 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 527 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 528 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 529 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 530 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 531 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 532 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 533 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 534 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 535 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 536 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 537 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 538 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 539 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 540 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 541 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 542 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 543 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 544 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 545 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 546 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 547 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 548 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 549 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 550 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 551 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 552 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 553 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 554 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 555 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 556 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 557 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 558 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 559 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 560 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 561 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 562 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 563 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 564 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 565 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 566 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 567 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 568 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 569 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 570 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 571 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 572 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 573 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 574 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 575 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 576 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 577 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 578 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 579 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 580 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 581 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 582 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 583 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 584 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 585 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 586 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 587 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 588 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 589 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 590 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 591 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo31_s20.cif b/soup/screen/mmcifs/denovo31_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..666d0e30ccba6aab3bdd0c3ea0e4d9f1712953cf --- /dev/null +++ b/soup/screen/mmcifs/denovo31_s20.cif @@ -0,0 +1,619 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 15 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 16 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 17 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 18 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 19 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 24 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 25 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 26 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 31 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 32 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 33 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 34 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 35 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 36 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 37 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 42 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 43 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 48 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 49 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 50 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 51 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 52 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 53 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 54 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 59 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 60 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 61 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 62 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 63 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 64 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 65 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 66 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 67 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 68 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 69 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 70 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 71 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 72 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 73 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 74 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 75 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 76 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 77 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 78 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 79 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 80 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 81 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 82 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 83 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 84 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 85 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 86 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 87 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 88 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 89 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 90 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 91 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 92 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 93 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 94 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 95 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 96 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 97 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 98 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 99 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 100 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 101 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 102 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 103 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 104 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 105 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 106 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 107 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 108 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 109 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 110 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 111 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 112 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 113 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 114 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 115 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 116 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 117 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 118 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 119 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 120 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 121 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 122 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 123 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 124 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 125 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 126 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 127 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 128 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 129 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 130 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 131 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 132 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 133 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 134 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 135 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 136 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 137 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 138 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 139 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 140 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 141 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 142 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 143 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 144 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 145 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 146 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 147 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 148 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 149 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 150 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 151 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 152 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 153 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 154 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 155 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 156 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 157 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 158 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 159 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 160 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 161 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 162 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 163 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 164 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 165 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 166 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 167 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 168 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 169 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 170 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 171 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 172 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 173 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 174 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 175 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 176 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 177 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 178 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 179 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 180 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 181 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 182 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 183 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 184 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 185 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 186 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 187 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 188 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 189 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 190 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 191 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 192 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 193 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 194 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 195 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 200 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 201 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 202 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 203 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 204 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 205 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 206 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 207 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 208 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 209 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 210 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 211 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 212 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 213 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 214 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 215 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 216 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 217 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 218 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 219 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 220 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 221 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 222 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 223 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 224 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 225 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 226 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 227 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 228 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 229 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 230 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 231 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 232 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 233 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 234 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 235 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 236 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 237 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 238 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 239 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 240 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 241 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 242 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 243 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 244 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 245 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 246 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 247 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 248 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 249 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 250 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 251 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 252 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 253 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 254 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 255 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 256 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 257 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 258 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 259 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 260 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 261 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 262 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 263 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 264 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 265 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 266 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 267 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 268 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 269 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 270 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 271 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 272 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 273 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 274 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 275 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 276 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 277 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 278 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 279 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 280 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 281 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 282 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 283 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 284 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 285 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 286 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 287 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 288 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 289 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 290 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 291 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 292 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 293 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 294 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 295 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 296 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 297 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 298 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 299 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 300 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 301 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 302 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 303 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 304 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 305 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 306 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 307 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 308 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 309 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 310 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 311 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 312 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 313 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 314 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 315 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 316 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 317 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 318 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 319 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 320 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 321 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 322 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 323 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 328 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 329 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 330 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 331 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 332 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 333 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 334 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 335 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 336 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 337 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 338 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 339 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 340 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 341 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 342 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 343 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 344 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 345 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 346 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 347 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 348 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 349 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 350 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 351 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 352 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 353 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 354 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 355 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 356 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 357 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 358 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 359 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 360 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 361 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 362 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 363 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 364 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 365 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 366 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 367 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 368 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 369 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 370 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 371 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 372 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 373 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 374 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 375 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 376 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 377 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 378 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 379 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 380 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 381 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 382 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 383 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 384 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 385 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 386 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 387 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 388 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 389 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 390 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 391 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 392 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 393 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 394 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 395 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 396 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 397 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 398 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 399 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 400 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 401 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 402 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 403 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 404 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 405 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 406 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 407 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 408 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 409 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 410 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 411 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 412 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 413 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 414 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 415 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 416 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 417 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 418 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 419 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 420 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 421 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 422 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 423 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 424 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 425 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 426 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 427 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 428 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 429 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 430 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 431 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 432 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 433 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 434 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 435 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 436 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 437 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 438 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 439 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 440 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 441 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 442 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 443 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 444 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 445 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 446 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 447 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 448 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 449 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 450 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 451 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 452 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 453 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 454 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 455 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 456 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 457 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 458 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 459 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 460 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 461 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 462 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 463 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 464 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 465 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 466 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 467 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 468 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 469 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 470 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 471 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 472 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 473 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 474 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 475 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 476 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 477 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 478 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 479 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 480 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 481 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 482 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 483 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 484 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 485 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 486 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 487 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 488 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 489 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 490 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 491 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 492 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 493 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 494 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 495 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 496 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 497 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 498 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 499 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 500 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 501 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 502 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 503 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 504 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 505 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 506 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 507 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 508 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 509 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 510 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 511 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 512 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 513 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 514 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 515 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 516 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 517 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 518 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 519 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 520 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 521 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 522 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 523 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 524 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 525 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 526 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 527 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 528 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 529 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 530 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 531 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 532 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 533 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 534 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 535 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 536 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 537 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 538 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 539 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 540 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 541 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 542 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 543 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 544 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 545 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 546 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 547 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 548 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 549 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 550 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 551 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 552 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 553 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 554 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 555 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 556 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 557 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 558 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 559 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 560 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 561 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 562 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 563 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 564 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 565 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 566 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 567 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 568 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 569 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 570 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 571 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 572 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 573 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 574 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 575 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 576 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 577 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 578 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 579 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 580 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 581 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 582 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 583 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 584 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 585 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 586 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 587 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 588 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 589 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 590 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 591 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 592 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 593 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 594 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 595 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 596 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 597 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 598 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 599 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 600 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 601 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 602 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 603 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo32_s20.cif b/soup/screen/mmcifs/denovo32_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..07a681603a940589459504a8ed170dbb1b0400ff --- /dev/null +++ b/soup/screen/mmcifs/denovo32_s20.cif @@ -0,0 +1,604 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 17 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 18 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 19 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 24 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 25 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 26 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 31 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 32 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 33 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 38 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 39 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 40 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 41 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 42 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 43 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 44 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 45 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 46 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 47 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 48 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 49 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 50 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 51 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 52 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 53 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 54 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 55 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 56 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 57 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 58 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 59 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 72 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 77 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 78 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 79 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 80 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 81 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 86 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 87 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 88 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 89 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 90 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 95 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 96 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 97 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 98 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 99 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 100 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 101 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 106 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 107 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 108 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 109 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 110 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 111 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 112 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 113 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 114 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 115 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 116 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 121 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 126 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 127 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 128 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 133 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 134 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 135 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 136 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 137 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 138 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 139 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 140 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 141 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 146 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 147 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 148 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 149 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 150 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 151 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 152 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 153 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 154 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 155 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 156 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 161 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 162 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 163 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 164 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 165 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 170 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 171 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 172 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 173 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 174 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 179 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 180 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 185 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 186 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 187 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 188 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 189 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 190 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 191 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 192 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 193 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 194 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 195 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 196 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 197 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 198 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 199 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 200 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 201 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 202 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 203 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 204 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 205 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 206 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 207 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 208 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 209 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 214 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 215 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 216 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 217 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 218 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 219 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 220 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 221 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 222 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 223 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 224 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 225 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 226 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 227 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 228 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 229 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 230 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 231 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 232 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 233 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 234 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 243 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 244 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 245 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 246 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 247 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 248 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 249 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 250 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 251 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 252 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 253 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 254 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 255 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 260 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 261 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 262 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 263 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 264 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 265 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 266 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 267 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 268 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 269 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 270 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 271 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 272 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 273 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 274 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 275 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 276 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 277 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 278 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 279 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 280 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 281 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 282 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 283 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 284 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 285 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 286 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 287 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 288 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 289 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 290 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 291 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 292 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 293 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 294 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 295 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 296 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 297 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 298 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 299 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 300 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 301 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 302 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 303 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 304 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 305 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 306 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 307 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 308 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 309 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 310 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 311 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 312 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 313 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 314 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 315 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 316 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 317 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 318 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 319 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 320 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 321 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 322 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 323 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 324 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 325 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 326 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 327 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 328 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 329 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 330 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 331 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 332 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 333 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 334 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 335 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 336 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 337 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 338 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 339 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 340 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 341 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 342 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 343 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 344 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 345 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 346 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 347 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 348 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 349 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 350 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 351 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 352 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 353 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 354 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 355 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 356 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 357 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 358 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 359 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 360 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 361 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 362 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 363 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 364 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 365 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 366 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 367 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 368 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 369 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 370 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 371 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 372 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 373 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 374 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 375 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 376 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 377 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 378 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 379 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 380 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 381 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 382 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 383 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 384 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 385 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 386 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 387 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 388 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 389 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 390 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 391 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 392 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 393 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 394 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 395 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 396 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 397 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 398 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 399 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 400 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 401 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 402 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 407 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 408 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 409 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 410 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 411 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 412 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 413 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 414 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 415 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 416 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 417 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 418 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 419 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 420 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 421 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 422 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 423 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 424 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 425 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 426 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 427 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 428 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 429 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 430 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 431 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 432 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 433 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 434 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 435 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 436 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 437 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 438 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 439 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 440 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 441 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 442 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 443 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 444 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 445 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 446 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 447 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 448 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 449 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 450 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 451 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 452 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 453 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 454 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 455 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 456 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 457 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 458 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 459 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 460 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 461 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 462 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 463 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 464 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 465 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 466 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 467 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 468 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 469 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 470 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 471 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 472 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 473 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 474 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 475 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 476 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 477 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 478 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 479 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 480 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 481 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 482 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 483 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 484 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 485 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 486 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 487 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 488 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 489 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 490 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 491 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 492 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 493 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 494 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 495 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 496 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 497 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 498 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 499 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 500 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 501 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 502 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 503 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 504 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 505 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 506 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 507 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 508 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 509 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 510 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 511 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 512 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 513 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 514 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 515 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 516 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 517 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 518 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 519 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 520 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 521 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 522 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 523 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 524 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 525 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 526 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 527 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 528 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 529 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 530 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 531 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 532 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 533 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 534 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 535 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 536 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 537 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 538 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 539 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 540 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 541 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 542 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 543 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 544 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 545 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 546 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 547 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 548 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 549 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 550 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 551 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 552 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 553 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 554 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 555 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 556 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 557 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 558 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 559 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 560 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 561 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 562 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 563 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 564 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 565 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 566 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 567 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 568 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 569 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 570 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 571 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 572 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 573 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 574 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 575 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 576 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 577 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 578 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 579 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 580 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 581 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 582 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 583 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 584 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 585 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 586 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 587 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 588 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo33_s20.cif b/soup/screen/mmcifs/denovo33_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..af10d0f38f6df6c6d6d75f42fd0066bc54a565d3 --- /dev/null +++ b/soup/screen/mmcifs/denovo33_s20.cif @@ -0,0 +1,587 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 15 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 16 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 17 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 18 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 19 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 20 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 21 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 26 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 27 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 28 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 33 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 34 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 35 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 40 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 41 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 42 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 43 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 48 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 49 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 50 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 51 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 52 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 53 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 54 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 55 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 56 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 57 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 58 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 59 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 60 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 61 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 62 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 63 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 64 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 65 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 66 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 67 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 68 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 69 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 74 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 75 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 76 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 77 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 78 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 79 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 80 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 81 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 82 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 83 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 84 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 85 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 86 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 87 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 88 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 89 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 90 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 91 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 92 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 93 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 94 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 95 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 96 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 97 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 98 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 99 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 100 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 101 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 102 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 103 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 104 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 105 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 106 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 107 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 108 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 109 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 110 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 111 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 112 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 113 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 114 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 115 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 116 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 117 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 118 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 119 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 120 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 121 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 122 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 123 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 124 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 125 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 126 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 127 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 128 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 129 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 130 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 131 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 132 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 133 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 134 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 135 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 136 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 137 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 138 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 139 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 140 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 141 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 142 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 143 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 144 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 145 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 146 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 147 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 148 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 149 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 150 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 151 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 152 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 153 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 154 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 155 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 156 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 161 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 162 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 163 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 164 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 165 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 166 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 167 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 168 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 169 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 170 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 171 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 172 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 173 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 174 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 175 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 176 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 177 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 178 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 179 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 180 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 181 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 182 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 183 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 184 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 189 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 190 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 195 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 196 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 197 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 198 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 199 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 200 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 201 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 202 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 203 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 204 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 205 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 206 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 207 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 208 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 209 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 210 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 211 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 212 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 213 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 214 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 215 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 216 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 217 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 218 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 219 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 220 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 225 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 226 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 227 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 232 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 233 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 234 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 239 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 240 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 241 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 242 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 243 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 244 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 245 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 246 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 247 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 248 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 249 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 250 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 251 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 252 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 253 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 254 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 255 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 260 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 265 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 266 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 267 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 268 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 269 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 270 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 271 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 272 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 273 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 274 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 275 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 276 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 277 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 278 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 279 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 280 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 281 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 282 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 283 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 284 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 285 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 286 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 287 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 288 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 289 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 290 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 291 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 292 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 293 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 294 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 295 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 296 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 297 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 298 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 299 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 300 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 301 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 302 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 303 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 304 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 305 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 306 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 307 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 308 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 309 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 310 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 311 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 316 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 317 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 318 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 323 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 328 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 329 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 330 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 331 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 332 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 333 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 334 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 335 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 336 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 337 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 338 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 339 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 340 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 341 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 342 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 343 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 344 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 345 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 346 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 347 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 348 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 349 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 350 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 351 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 352 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 353 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 354 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 355 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 356 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 357 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 358 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 359 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 360 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 361 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 362 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 363 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 364 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 365 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 366 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 367 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 368 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 369 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 370 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 371 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 372 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 373 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 374 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 375 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 376 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 377 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 378 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 379 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 380 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 381 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 382 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 383 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 384 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 385 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 386 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 387 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 388 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 389 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 390 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 391 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 392 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 393 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 394 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 395 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 396 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 397 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 398 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 399 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 400 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 401 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 402 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 403 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 404 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 405 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 406 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 407 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 408 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 409 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 410 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 411 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 412 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 413 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 414 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 415 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 416 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 417 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 418 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 419 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 420 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 421 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 422 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 423 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 424 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 425 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 426 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 427 N N GLY A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 428 C CA GLY A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 429 C C GLY A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 430 O O GLY A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 431 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 432 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 433 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 434 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 435 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 436 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 437 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 438 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 443 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 444 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 445 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 446 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 447 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 448 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 449 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 450 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 451 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 452 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 453 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 454 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 455 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 456 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 457 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 458 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 459 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 460 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 461 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 462 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 463 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 464 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 465 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 466 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 467 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 468 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 469 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 470 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 471 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 472 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 473 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 474 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 475 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 476 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 477 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 478 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 479 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 480 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 481 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 482 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 483 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 484 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 485 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 486 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 487 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 488 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 489 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 490 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 491 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 492 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 493 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 494 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 495 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 496 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 497 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 498 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 499 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 500 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 501 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 502 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 503 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 504 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 505 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 506 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 507 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 508 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 509 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 510 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 511 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 512 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 513 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 514 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 515 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 516 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 517 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 518 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 519 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 520 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 521 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 522 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 523 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 524 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 525 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 526 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 527 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 528 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 529 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 530 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 531 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 532 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 533 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 534 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 535 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 536 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 537 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 538 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 539 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 540 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 545 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 546 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 547 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 548 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 549 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 550 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 551 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 552 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 553 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 554 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 555 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 556 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 557 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 558 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 559 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 560 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 561 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 562 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 563 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 564 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 565 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 566 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 567 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 568 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 569 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 570 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 571 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo34_s20.cif b/soup/screen/mmcifs/denovo34_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b327b910498419a1d93226d460351fc505fa66eb --- /dev/null +++ b/soup/screen/mmcifs/denovo34_s20.cif @@ -0,0 +1,603 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 15 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 16 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 17 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 18 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 19 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 24 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 25 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 30 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 31 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 32 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 33 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 34 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 39 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 40 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 41 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 42 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 43 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 44 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 45 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 46 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 47 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 52 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 53 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 54 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 55 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 56 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 57 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 58 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 59 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 60 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 61 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 62 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 63 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 64 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 69 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 70 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 71 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 72 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 73 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 74 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 75 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 84 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 85 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 86 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 87 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 88 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 89 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 90 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 95 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 100 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 101 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 102 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 103 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 104 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 105 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 106 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 107 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 108 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 109 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 110 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 111 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 112 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 113 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 118 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 119 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 120 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 121 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 122 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 123 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 124 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 125 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 126 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 127 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 128 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 129 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 130 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 131 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 132 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 133 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 134 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 135 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 136 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 137 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 138 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 139 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 140 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 141 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 142 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 147 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 148 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 149 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 150 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 151 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 152 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 153 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 154 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 155 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 156 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 157 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 158 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 159 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 160 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 161 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 162 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 163 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 164 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 165 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 166 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 167 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 172 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 173 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 174 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 175 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 176 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 177 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 178 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 179 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 180 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 181 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 182 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 183 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 184 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 185 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 186 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 187 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 188 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 189 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 190 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 195 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 196 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 197 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 202 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 203 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 204 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 205 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 206 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 207 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 208 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 209 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 210 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 211 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 212 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 213 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 214 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 215 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 216 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 217 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 218 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 219 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 220 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 225 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 226 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 227 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 228 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 229 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 230 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 231 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 232 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 233 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 234 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 239 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 240 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 241 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 242 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 247 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 248 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 249 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 250 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 251 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 252 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 253 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 254 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 255 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 256 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 257 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 258 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 259 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 260 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 261 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 262 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 263 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 264 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 265 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 266 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 267 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 268 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 269 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 270 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 271 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 272 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 273 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 274 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 275 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 276 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 277 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 278 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 279 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 280 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 281 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 282 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 283 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 288 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 289 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 290 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 291 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 296 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 297 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 298 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 299 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 300 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 301 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 302 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 303 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 304 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 305 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 306 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 307 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 308 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 309 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 310 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 311 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 312 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 313 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 314 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 315 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 316 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 317 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 318 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 319 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 320 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 321 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 322 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 323 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 324 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 325 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 326 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 327 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 328 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 329 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 330 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 331 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 332 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 333 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 334 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 335 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 336 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 337 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 342 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 343 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 344 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 345 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 346 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 347 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 348 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 349 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 350 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 351 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 352 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 353 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 354 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 355 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 356 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 357 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 362 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 363 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 364 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 365 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 366 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 367 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 368 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 369 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 370 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 371 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 372 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 373 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 374 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 375 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 376 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 377 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 378 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 379 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 380 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 381 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 382 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 383 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 384 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 389 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 390 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 391 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 392 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 393 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 394 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 395 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 396 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 397 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 398 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 399 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 400 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 401 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 402 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 403 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 404 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 405 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 406 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 411 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 416 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 417 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 418 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 419 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 420 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 421 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 422 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 423 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 424 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 425 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 426 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 427 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 428 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 429 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 430 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 431 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 432 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 433 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 434 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 435 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 436 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 437 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 438 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 439 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 440 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 441 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 442 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 443 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 444 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 445 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 446 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 447 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 448 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 449 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 450 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 451 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 452 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 453 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 454 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 455 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 456 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 457 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 458 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 459 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 460 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 461 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 462 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 463 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 464 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 465 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 466 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 467 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 468 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 469 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 470 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 471 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 472 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 473 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 474 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 475 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 476 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 477 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 478 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 479 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 480 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 481 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 482 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 483 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 484 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 485 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 486 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 487 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 488 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 489 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 490 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 491 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 492 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 493 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 494 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 495 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 496 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 497 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 498 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 499 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 500 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 501 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 506 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 507 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 508 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 509 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 510 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 511 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 512 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 513 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 514 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 515 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 516 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 517 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 518 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 519 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 520 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 521 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 522 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 523 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 524 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 525 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 526 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 527 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 528 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 529 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 530 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 531 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 532 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 533 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 534 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 535 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 536 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 537 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 538 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 539 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 540 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 541 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 542 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 543 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 544 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 545 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 546 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 547 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 548 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 549 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 550 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 551 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 552 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 553 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 554 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 555 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 556 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 557 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 558 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 559 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 560 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 561 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 562 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 563 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 564 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 565 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 566 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 567 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 568 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 569 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 570 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 571 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 572 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 573 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 574 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 575 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 576 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 577 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 578 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 579 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 580 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 581 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 582 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 583 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 584 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 585 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 586 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 587 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo35_s20.cif b/soup/screen/mmcifs/denovo35_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d681c2f1b1efa4ed0db2b298d415ed174c34f28f --- /dev/null +++ b/soup/screen/mmcifs/denovo35_s20.cif @@ -0,0 +1,620 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 15 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 16 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 17 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 22 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 23 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 24 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 25 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 26 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 31 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 32 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 33 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 38 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 39 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 40 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 45 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 46 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 47 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 52 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 53 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 54 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 55 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 56 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 61 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 62 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 67 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 68 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 69 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 70 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 71 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 72 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 73 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 78 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 79 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 80 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 81 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 82 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 87 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 88 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 89 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 94 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 95 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 96 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 97 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 98 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 103 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 104 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 105 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 106 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 107 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 108 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 109 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 110 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 111 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 112 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 113 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 114 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 115 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 116 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 117 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 118 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 119 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 120 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 121 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 122 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 123 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 124 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 125 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 130 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 131 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 132 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 133 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 134 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 135 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 136 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 137 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 138 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 139 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 140 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 141 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 142 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 143 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 148 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 149 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 150 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 151 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 152 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 153 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 154 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 155 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 156 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 157 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 158 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 159 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 160 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 161 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 166 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 167 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 168 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 169 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 170 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 171 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 172 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 173 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 174 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 175 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 176 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 177 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 178 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 179 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 180 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 181 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 182 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 183 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 184 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 185 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 186 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 187 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 188 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 189 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 190 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 191 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 192 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 193 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 194 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 195 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 196 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 197 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 198 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 199 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 200 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 201 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 202 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 203 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 204 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 205 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 206 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 207 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 208 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 209 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 210 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 211 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 212 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 213 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 214 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 215 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 216 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 217 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 218 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 219 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 220 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 221 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 222 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 223 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 224 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 225 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 226 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 227 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 228 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 229 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 230 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 231 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 232 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 233 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 234 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 235 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 236 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 237 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 238 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 239 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 240 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 241 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 242 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 243 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 244 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 245 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 246 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 247 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 248 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 249 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 250 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 251 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 252 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 253 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 254 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 255 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 256 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 257 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 258 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 259 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 260 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 261 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 262 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 263 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 264 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 265 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 266 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 267 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 268 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 269 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 270 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 271 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 272 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 273 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 274 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 275 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 276 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 277 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 278 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 279 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 280 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 281 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 282 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 283 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 284 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 285 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 286 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 287 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 288 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 289 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 290 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 291 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 292 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 293 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 294 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 295 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 296 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 297 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 298 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 299 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 300 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 301 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 302 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 303 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 304 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 305 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 306 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 307 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 308 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 309 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 310 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 311 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 312 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 313 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 314 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 315 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 316 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 317 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 318 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 319 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 320 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 321 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 322 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 323 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 324 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 325 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 326 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 327 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 328 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 329 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 330 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 331 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 332 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 333 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 334 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 335 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 336 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 337 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 338 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 339 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 340 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 341 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 342 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 343 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 344 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 345 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 346 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 347 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 348 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 349 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 350 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 351 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 352 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 353 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 354 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 355 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 356 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 357 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 358 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 359 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 360 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 361 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 362 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 363 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 364 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 365 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 366 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 367 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 368 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 369 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 370 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 371 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 372 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 373 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 378 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 379 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 380 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 381 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 382 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 383 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 384 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 385 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 386 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 387 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 388 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 389 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 390 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 391 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 392 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 393 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 394 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 395 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 396 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 397 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 398 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 399 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 400 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 401 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 402 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 403 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 404 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 405 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 406 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 407 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 408 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 409 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 410 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 411 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 412 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 413 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 414 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 415 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 416 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 417 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 418 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 419 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 420 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 421 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 422 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 423 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 424 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 425 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 426 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 427 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 428 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 429 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 430 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 431 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 432 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 433 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 434 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 435 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 436 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 437 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 438 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 439 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 440 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 441 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 442 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 443 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 444 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 445 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 446 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 447 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 448 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 449 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 450 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 451 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 452 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 453 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 454 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 455 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 456 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 457 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 458 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 459 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 460 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 461 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 462 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 463 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 464 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 465 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 466 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 467 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 468 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 469 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 470 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 471 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 472 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 473 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 474 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 475 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 476 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 477 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 478 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 479 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 480 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 481 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 482 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 483 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 484 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 485 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 486 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 487 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 488 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 489 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 490 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 491 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 492 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 493 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 494 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 495 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 496 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 497 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 498 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 499 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 500 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 501 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 502 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 503 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 504 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 505 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 506 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 507 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 508 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 509 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 510 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 511 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 512 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 513 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 514 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 515 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 516 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 517 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 518 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 519 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 520 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 521 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 522 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 523 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 524 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 525 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 526 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 527 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 528 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 529 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 530 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 531 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 532 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 533 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 534 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 535 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 536 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 537 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 538 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 539 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 540 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 541 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 542 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 543 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 544 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 545 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 546 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 547 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 548 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 549 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 550 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 551 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 552 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 553 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 554 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 555 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 556 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 557 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 558 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 559 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 560 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 561 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 562 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 563 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 564 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 565 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 566 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 567 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 568 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 569 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 570 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 571 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 572 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 573 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 574 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 575 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 576 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 577 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 578 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 579 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 580 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 581 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 582 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 583 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 584 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 585 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 586 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 587 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 588 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 589 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 590 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 591 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 592 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 593 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 594 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 595 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 596 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 597 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 598 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 599 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 600 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 601 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 602 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 603 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 604 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo36_s20.cif b/soup/screen/mmcifs/denovo36_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f87d406a8adad0ca857d592ab54280b6e65a9fba --- /dev/null +++ b/soup/screen/mmcifs/denovo36_s20.cif @@ -0,0 +1,602 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 15 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 16 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 17 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 22 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 23 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 24 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 29 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 34 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 35 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 36 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 37 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 38 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 43 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 44 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 49 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 50 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 51 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 56 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 57 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 58 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 59 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 60 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 61 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 62 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 67 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 68 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 69 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 70 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 71 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 72 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 73 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 74 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 75 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 80 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 81 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 82 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 83 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 84 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 85 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 86 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 87 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 88 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 89 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 90 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 91 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 92 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 93 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 98 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 99 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 100 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 101 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 102 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 103 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 104 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 109 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 110 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 111 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 112 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 113 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 118 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 119 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 120 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 121 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 122 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 127 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 128 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 129 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 130 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 131 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 132 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 133 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 134 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 135 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 136 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 137 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 142 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 143 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 144 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 145 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 146 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 147 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 148 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 149 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 150 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 151 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 152 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 153 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 154 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 155 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 156 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 157 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 162 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 163 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 164 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 165 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 166 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 167 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 168 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 169 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 170 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 171 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 176 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 177 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 178 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 179 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 180 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 185 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 186 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 187 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 188 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 189 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 190 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 191 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 192 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 193 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 194 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 195 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 196 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 197 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 198 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 199 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 200 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 201 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 202 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 203 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 204 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 205 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 206 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 207 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 208 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 209 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 210 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 211 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 212 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 213 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 214 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 215 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 216 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 217 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 218 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 219 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 220 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 221 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 222 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 223 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 224 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 225 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 226 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 227 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 228 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 229 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 230 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 231 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 232 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 233 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 234 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 235 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 236 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 237 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 238 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 239 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 240 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 241 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 242 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 243 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 244 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 245 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 246 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 247 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 248 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 249 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 250 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 251 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 252 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 253 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 254 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 255 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 256 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 257 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 258 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 259 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 260 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 261 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 262 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 263 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 264 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 265 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 266 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 267 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 268 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 269 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 270 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 271 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 272 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 273 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 274 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 275 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 276 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 277 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 278 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 279 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 280 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 281 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 282 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 283 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 284 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 285 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 286 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 287 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 288 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 289 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 290 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 291 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 296 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 297 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 298 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 299 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 300 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 301 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 302 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 303 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 304 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 305 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 306 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 307 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 308 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 309 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 310 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 311 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 312 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 313 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 314 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 315 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 316 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 317 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 318 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 319 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 320 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 321 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 322 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 323 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 324 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 325 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 326 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 327 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 328 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 329 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 330 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 331 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 332 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 333 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 334 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 335 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 336 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 337 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 338 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 339 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 340 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 341 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 342 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 343 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 344 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 345 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 346 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 347 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 348 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 349 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 350 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 351 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 352 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 353 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 354 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 355 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 356 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 357 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 358 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 359 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 360 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 361 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 362 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 363 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 364 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 365 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 366 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 367 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 368 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 369 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 370 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 371 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 372 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 373 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 374 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 375 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 376 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 377 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 378 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 379 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 380 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 381 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 382 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 383 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 384 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 385 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 386 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 387 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 388 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 389 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 390 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 391 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 392 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 393 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 394 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 395 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 396 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 397 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 398 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 399 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 400 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 401 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 402 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 403 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 404 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 405 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 406 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 407 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 408 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 409 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 410 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 411 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 412 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 413 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 414 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 415 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 416 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 417 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 418 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 419 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 420 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 421 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 422 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 423 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 424 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 425 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 426 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 427 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 428 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 429 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 430 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 431 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 432 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 433 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 434 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 435 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 436 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 437 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 438 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 439 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 440 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 441 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 442 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 443 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 444 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 445 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 446 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 447 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 448 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 449 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 450 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 451 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 452 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 453 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 454 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 455 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 456 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 457 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 458 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 459 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 460 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 461 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 462 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 463 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 464 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 465 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 466 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 467 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 468 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 473 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 474 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 475 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 476 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 477 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 478 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 479 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 480 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 481 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 482 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 483 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 484 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 485 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 486 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 487 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 488 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 489 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 490 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 491 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 492 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 493 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 494 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 495 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 496 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 497 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 498 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 499 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 500 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 501 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 506 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 507 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 508 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 509 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 510 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 511 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 512 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 513 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 514 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 515 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 516 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 517 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 518 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 519 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 520 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 521 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 522 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 523 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 524 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 525 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 526 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 527 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 528 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 529 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 530 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 531 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 532 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 533 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 534 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 535 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 536 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 537 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 538 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 539 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 540 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 541 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 542 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 543 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 544 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 545 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 546 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 547 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 548 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 549 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 550 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 551 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 552 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 553 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 554 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 555 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 556 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 557 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 558 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 559 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 560 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 561 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 562 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 563 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 564 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 565 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 566 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 567 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 568 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 569 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 570 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 571 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 572 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 573 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 574 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 575 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 576 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 577 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 578 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 579 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 580 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 581 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 582 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 583 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 584 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 585 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 586 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo37_s20.cif b/soup/screen/mmcifs/denovo37_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..25ca78d060d5d96e83317987645939f25223e334 --- /dev/null +++ b/soup/screen/mmcifs/denovo37_s20.cif @@ -0,0 +1,599 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 11 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 12 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 13 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 18 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 19 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 20 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 21 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 26 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 27 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 28 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 33 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 38 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 39 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 40 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 41 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 42 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 43 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 44 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 45 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 46 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 47 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 52 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 53 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 54 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 55 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 56 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 57 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 58 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 59 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 60 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 61 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 62 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 63 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 64 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 65 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 66 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 67 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 68 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 69 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 70 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 71 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 72 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 73 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 74 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 75 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 76 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 77 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 78 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 79 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 80 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 81 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 82 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 83 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 84 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 85 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 86 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 87 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 88 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 89 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 90 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 91 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 92 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 93 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 94 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 95 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 96 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 97 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 98 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 99 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 100 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 101 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 102 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 103 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 104 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 105 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 106 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 107 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 108 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 109 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 110 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 111 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 112 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 113 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 114 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 115 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 116 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 117 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 118 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 119 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 120 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 121 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 122 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 123 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 124 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 125 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 126 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 127 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 128 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 129 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 130 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 131 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 132 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 133 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 134 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 135 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 136 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 137 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 138 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 139 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 140 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 141 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 142 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 143 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 144 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 145 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 146 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 147 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 148 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 149 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 150 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 151 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 152 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 153 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 154 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 155 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 156 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 157 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 158 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 159 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 160 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 161 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 162 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 163 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 164 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 165 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 166 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 167 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 168 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 169 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 170 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 171 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 172 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 173 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 174 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 175 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 176 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 177 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 178 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 179 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 180 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 181 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 182 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 183 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 184 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 185 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 186 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 187 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 188 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 189 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 190 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 191 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 192 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 193 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 194 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 195 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 196 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 197 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 198 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 199 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 200 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 201 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 202 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 203 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 204 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 205 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 206 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 207 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 208 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 209 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 210 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 211 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 212 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 213 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 214 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 215 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 216 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 217 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 218 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 219 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 220 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 221 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 222 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 223 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 224 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 225 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 226 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 227 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 228 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 229 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 230 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 231 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 232 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 233 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 234 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 235 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 236 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 237 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 238 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 239 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 240 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 241 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 242 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 243 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 248 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 249 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 250 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 251 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 252 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 257 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 258 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 259 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 264 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 265 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 266 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 267 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 268 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 269 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 270 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 271 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 272 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 273 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 278 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 279 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 280 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 281 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 282 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 283 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 284 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 285 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 286 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 287 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 288 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 289 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 290 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 291 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 292 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 293 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 294 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 295 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 296 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 297 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 298 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 299 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 304 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 305 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 306 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 307 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 308 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 309 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 310 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 311 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 312 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 313 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 314 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 315 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 316 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 317 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 318 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 319 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 320 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 321 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 322 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 323 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 324 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 325 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 326 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 327 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 328 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 333 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 334 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 335 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 336 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 337 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 338 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 339 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 340 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 341 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 342 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 343 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 344 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 345 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 346 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 347 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 348 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 349 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 350 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 351 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 352 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 353 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 354 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 355 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 356 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 357 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 358 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 359 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 360 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 361 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 362 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 363 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 364 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 369 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 370 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 371 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 372 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 373 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 374 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 379 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 380 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 381 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 382 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 383 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 388 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 389 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 390 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 391 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 392 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 393 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 394 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 395 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 396 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 397 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 398 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 399 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 400 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 401 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 402 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 403 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 404 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 405 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 406 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 407 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 408 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 409 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 410 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 411 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 416 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 417 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 418 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 419 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 420 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 421 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 422 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 423 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 424 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 425 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 426 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 427 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 428 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 429 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 430 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 431 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 432 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 433 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 434 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 435 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 436 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 437 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 438 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 439 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 440 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 441 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 442 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 443 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 444 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 445 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 446 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 447 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 448 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 449 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 450 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 451 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 452 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 453 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 454 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 455 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 456 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 457 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 458 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 459 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 460 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 461 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 462 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 463 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 464 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 465 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 466 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 467 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 468 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 469 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 470 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 471 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 472 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 473 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 474 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 475 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 476 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 477 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 478 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 479 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 480 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 481 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 482 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 483 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 484 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 485 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 486 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 487 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 488 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 489 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 490 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 491 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 492 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 493 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 494 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 495 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 496 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 497 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 498 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 499 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 500 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 501 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 502 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 503 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 504 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 505 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 506 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 507 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 508 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 509 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 510 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 511 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 512 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 513 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 514 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 515 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 516 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 517 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 518 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 519 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 520 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 521 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 522 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 523 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 524 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 525 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 526 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 527 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 528 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 529 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 530 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 531 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 532 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 533 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 534 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 535 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 536 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 537 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 538 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 539 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 540 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 541 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 542 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 543 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 544 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 545 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 546 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 547 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 548 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 549 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 550 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 551 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 552 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 553 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 554 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 555 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 556 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 557 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 558 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 559 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 560 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 561 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 562 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 563 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 564 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 565 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 566 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 567 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 568 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 569 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 570 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 571 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 572 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 573 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 574 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 575 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 576 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 577 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 578 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 579 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 580 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 581 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 582 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 583 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo38_s20.cif b/soup/screen/mmcifs/denovo38_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..af2d690a4bade16899171b25d9c72a22ce277526 --- /dev/null +++ b/soup/screen/mmcifs/denovo38_s20.cif @@ -0,0 +1,573 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 23 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 24 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 25 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 26 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 31 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 32 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 33 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 34 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 35 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 40 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 41 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 42 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 43 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 44 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 49 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 54 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 55 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 56 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 57 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 62 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 63 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 64 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 69 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 70 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 75 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 76 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 77 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 82 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 83 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 84 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 85 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 86 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 87 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 88 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 89 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 90 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 91 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 92 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 93 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 94 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 95 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 96 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 97 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 102 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 103 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 104 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 109 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 110 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 111 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 116 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 117 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 118 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 119 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 120 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 121 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 122 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 123 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 124 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 125 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 126 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 127 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 128 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 129 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 130 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 131 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 132 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 133 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 134 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 135 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 136 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 137 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 138 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 139 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 140 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 141 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 142 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 143 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 144 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 145 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 146 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 147 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 148 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 149 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 150 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 151 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 152 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 153 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 154 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 155 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 156 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 157 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 158 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 159 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 160 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 161 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 162 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 163 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 164 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 165 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 166 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 167 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 168 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 169 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 170 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 171 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 172 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 173 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 174 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 175 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 176 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 177 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 178 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 179 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 180 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 181 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 182 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 183 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 184 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 185 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 186 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 187 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 188 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 189 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 190 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 191 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 192 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 193 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 194 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 195 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 196 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 197 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 198 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 199 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 200 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 201 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 202 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 203 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 204 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 205 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 206 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 207 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 208 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 209 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 210 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 211 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 212 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 213 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 214 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 215 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 216 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 217 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 218 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 219 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 220 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 221 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 222 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 223 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 224 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 225 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 226 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 227 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 228 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 229 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 230 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 231 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 232 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 233 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 234 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 235 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 236 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 237 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 238 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 239 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 240 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 241 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 242 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 243 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 244 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 245 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 246 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 247 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 248 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 249 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 250 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 251 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 252 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 253 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 254 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 255 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 256 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 257 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 258 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 259 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 260 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 261 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 262 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 263 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 264 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 265 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 266 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 267 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 268 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 269 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 270 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 271 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 272 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 273 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 274 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 275 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 276 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 277 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 278 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 279 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 280 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 281 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 282 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 283 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 284 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 285 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 286 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 287 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 288 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 289 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 290 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 291 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 292 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 293 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 294 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 295 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 296 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 297 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 298 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 299 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 300 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 301 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 302 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 303 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 304 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 305 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 306 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 307 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 308 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 309 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 310 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 311 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 312 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 313 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 314 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 315 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 316 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 317 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 318 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 319 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 320 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 321 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 322 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 323 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 324 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 325 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 326 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 327 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 328 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 329 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 330 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 331 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 332 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 333 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 334 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 335 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 336 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 337 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 338 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 339 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 340 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 341 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 342 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 343 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 344 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 345 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 346 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 347 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 348 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 349 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 350 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 351 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 352 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 353 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 354 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 355 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 356 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 357 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 358 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 359 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 360 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 361 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 362 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 363 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 364 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 365 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 366 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 367 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 368 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 369 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 370 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 371 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 372 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 373 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 374 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 375 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 376 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 377 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 378 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 379 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 380 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 381 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 382 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 383 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 384 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 385 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 386 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 387 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 388 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 389 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 390 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 391 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 392 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 393 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 394 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 395 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 396 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 397 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 398 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 399 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 400 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 401 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 402 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 403 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 404 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 405 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 406 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 407 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 408 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 409 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 410 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 411 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 412 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 413 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 414 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 415 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 416 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 417 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 418 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 419 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 420 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 421 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 422 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 423 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 424 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 425 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 426 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 427 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 428 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 429 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 430 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 431 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 432 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 433 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 434 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 435 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 436 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 437 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 438 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 439 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 440 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 441 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 442 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 443 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 444 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 445 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 446 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 447 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 448 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 449 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 450 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 451 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 452 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 453 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 454 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 455 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 456 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 457 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 458 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 459 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 460 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 461 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 462 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 463 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 464 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 465 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 466 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 467 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 468 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 469 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 470 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 471 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 472 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 473 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 474 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 475 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 476 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 477 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 478 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 479 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 480 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 481 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 482 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 483 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 484 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 485 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 486 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 487 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 488 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 489 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 490 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 491 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 492 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 493 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 494 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 495 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 496 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 497 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 498 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 499 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 500 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 501 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 502 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 503 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 504 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 505 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 506 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 507 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 508 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 509 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 510 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 511 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 512 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 513 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 514 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 515 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 516 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 517 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 518 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 519 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 520 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 521 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 522 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 523 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 524 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 525 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 526 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 527 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 528 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 529 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 530 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 531 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 532 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 533 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 534 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 535 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 536 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 537 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 538 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 539 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 540 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 541 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 542 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 543 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 544 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 545 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 546 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 547 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 548 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 549 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 550 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 551 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 552 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 553 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 554 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 555 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 556 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 557 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo39_s20.cif b/soup/screen/mmcifs/denovo39_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..e0191f428b5fd9198580588873565c54276560be --- /dev/null +++ b/soup/screen/mmcifs/denovo39_s20.cif @@ -0,0 +1,623 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 13 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 14 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 15 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 20 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 21 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 22 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 27 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 28 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 29 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 34 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 35 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 36 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 37 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 38 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 43 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 44 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 45 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 50 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 51 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 52 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 57 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 58 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 59 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 64 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 65 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 66 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 67 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 68 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 69 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 70 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 75 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 76 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 77 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 78 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 79 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 80 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 81 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 86 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 87 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 88 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 93 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 94 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 95 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 96 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 97 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 98 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 99 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 100 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 101 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 102 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 103 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 104 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 105 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 106 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 107 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 108 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 109 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 110 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 111 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 112 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 121 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 122 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 123 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 124 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 125 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 126 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 127 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 128 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 129 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 130 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 131 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 132 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 133 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 142 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 147 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 148 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 149 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 150 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 151 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 156 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 157 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 158 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 159 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 160 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 161 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 162 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 163 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 168 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 169 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 170 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 171 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 172 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 177 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 178 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 179 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 180 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 185 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 186 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 187 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 188 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 189 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 190 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 191 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 192 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 193 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 194 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 195 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 196 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 197 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 198 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 199 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 200 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 201 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 202 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 203 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 204 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 205 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 206 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 207 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 208 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 209 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 214 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 215 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 216 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 217 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 218 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 219 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 220 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 221 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 222 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 223 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 224 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 225 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 226 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 227 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 228 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 229 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 230 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 231 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 232 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 233 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 234 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 235 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 236 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 237 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 238 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 239 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 240 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 241 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 242 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 247 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 248 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 249 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 250 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 251 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 252 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 253 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 254 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 255 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 256 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 257 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 258 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 259 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 260 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 261 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 262 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 263 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 264 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 265 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 266 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 267 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 268 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 269 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 270 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 271 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 272 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 273 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 274 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 275 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 276 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 277 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 278 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 279 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 280 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 281 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 282 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 283 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 284 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 285 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 286 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 287 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 288 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 289 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 290 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 291 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 292 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 293 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 294 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 295 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 296 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 297 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 298 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 299 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 300 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 301 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 302 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 303 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 304 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 305 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 306 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 307 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 308 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 309 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 310 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 311 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 316 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 317 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 318 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 319 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 320 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 321 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 322 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 323 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 324 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 325 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 326 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 327 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 328 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 329 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 330 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 331 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 332 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 333 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 334 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 335 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 336 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 337 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 338 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 339 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 340 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 341 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 342 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 343 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 344 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 345 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 346 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 347 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 348 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 349 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 350 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 351 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 352 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 353 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 354 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 355 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 356 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 357 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 358 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 359 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 360 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 361 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 362 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 363 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 364 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 365 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 366 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 367 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 368 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 369 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 370 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 371 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 372 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 373 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 374 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 375 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 376 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 377 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 378 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 379 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 380 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 381 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 382 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 383 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 384 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 385 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 386 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 387 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 388 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 389 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 390 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 391 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 392 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 393 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 394 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 395 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 396 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 397 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 398 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 399 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 400 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 401 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 402 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 403 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 404 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 405 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 406 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 407 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 408 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 409 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 410 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 411 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 412 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 413 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 414 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 415 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 416 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 417 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 418 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 419 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 420 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 421 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 422 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 423 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 424 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 425 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 426 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 427 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 428 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 429 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 430 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 431 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 432 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 433 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 434 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 435 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 436 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 437 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 438 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 439 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 440 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 441 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 442 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 443 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 444 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 445 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 446 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 447 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 448 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 449 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 450 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 451 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 452 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 453 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 454 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 455 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 456 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 457 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 458 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 459 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 460 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 461 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 462 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 463 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 464 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 465 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 466 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 467 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 468 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 469 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 470 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 471 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 472 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 473 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 474 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 475 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 476 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 477 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 478 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 479 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 480 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 481 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 482 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 483 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 484 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 485 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 486 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 487 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 488 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 489 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 490 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 491 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 492 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 493 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 494 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 495 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 496 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 497 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 498 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 499 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 500 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 501 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 502 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 503 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 504 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 505 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 506 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 507 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 508 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 509 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 510 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 511 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 512 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 513 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 514 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 515 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 516 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 517 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 518 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 519 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 520 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 521 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 522 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 523 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 524 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 525 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 526 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 527 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 528 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 529 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 530 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 531 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 532 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 533 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 534 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 535 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 536 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 537 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 538 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 539 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 540 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 541 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 542 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 543 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 544 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 545 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 546 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 547 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 548 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 549 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 550 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 551 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 552 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 553 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 554 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 555 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 556 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 557 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 558 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 559 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 560 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 561 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 562 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 563 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 564 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 565 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 566 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 567 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 568 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 569 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 570 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 571 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 572 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 573 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 574 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 575 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 576 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 577 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 578 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 579 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 580 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 581 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 582 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 583 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 584 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 585 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 586 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 587 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 588 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 589 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 590 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 591 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 592 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 593 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 594 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 595 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 596 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 597 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 598 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 599 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 600 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 601 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 602 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 603 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 604 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 605 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 606 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 607 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo3_s20.cif b/soup/screen/mmcifs/denovo3_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..25ad1e8e10336c9f0615360d0f8bdcff73873cb7 --- /dev/null +++ b/soup/screen/mmcifs/denovo3_s20.cif @@ -0,0 +1,606 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 14 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 15 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 16 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 17 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 18 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 23 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 24 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 25 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 30 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 31 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 32 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 33 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 34 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 39 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 40 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 41 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 42 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 43 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 48 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 49 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 54 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 55 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 56 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 57 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 58 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 59 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 60 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 61 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 62 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 67 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 68 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 73 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 74 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 75 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 76 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 77 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 82 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 87 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 88 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 89 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 90 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 91 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 96 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 97 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 98 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 103 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 104 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 105 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 106 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 107 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 108 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 109 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 110 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 111 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 112 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 113 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 114 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 115 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 116 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 117 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 118 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 119 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 120 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 121 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 126 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 127 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 128 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 129 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 130 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 131 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 132 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 133 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 134 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 135 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 136 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 137 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 142 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 143 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 144 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 145 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 146 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 147 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 148 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 149 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 150 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 151 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 156 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 157 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 162 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 163 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 168 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 169 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 170 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 171 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 172 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 173 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 174 N N GLY A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 175 C CA GLY A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 176 C C GLY A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 177 O O GLY A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 178 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 183 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 184 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 185 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 190 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 191 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 192 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 193 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 198 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 199 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 200 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 201 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 202 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 211 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 212 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 213 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 214 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 215 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 220 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 221 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 222 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 223 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 224 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 233 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 234 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 235 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 236 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 237 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 238 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 239 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 240 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 241 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 242 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 243 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 244 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 245 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 246 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 247 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 248 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 249 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 250 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 251 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 252 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 253 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 254 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 255 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 256 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 257 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 258 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 259 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 260 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 261 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 262 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 263 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 264 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 265 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 266 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 267 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 268 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 269 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 270 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 271 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 272 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 273 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 274 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 275 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 276 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 277 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 278 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 279 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 280 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 281 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 286 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 287 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 288 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 289 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 290 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 291 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 292 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 293 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 294 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 295 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 296 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 297 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 298 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 299 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 300 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 301 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 302 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 303 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 304 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 305 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 306 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 307 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 308 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 309 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 310 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 311 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 312 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 313 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 314 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 315 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 316 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 317 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 318 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 319 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 320 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 321 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 322 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 323 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 324 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 325 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 326 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 327 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 328 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 329 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 330 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 331 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 332 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 333 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 334 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 335 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 336 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 337 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 338 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 339 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 340 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 341 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 342 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 343 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 344 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 345 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 346 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 347 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 348 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 349 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 350 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 351 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 352 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 353 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 354 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 355 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 356 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 357 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 358 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 359 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 360 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 361 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 362 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 363 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 364 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 365 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 366 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 367 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 368 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 369 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 370 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 371 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 372 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 373 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 378 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 379 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 380 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 381 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 382 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 383 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 384 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 385 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 386 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 387 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 388 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 389 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 390 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 391 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 392 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 393 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 394 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 395 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 396 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 397 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 398 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 399 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 400 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 401 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 402 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 403 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 408 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 409 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 410 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 411 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 412 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 413 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 414 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 415 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 416 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 417 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 418 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 419 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 420 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 421 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 422 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 423 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 424 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 425 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 426 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 427 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 428 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 429 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 430 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 431 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 432 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 433 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 434 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 435 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 436 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 437 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 438 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 439 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 440 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 441 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 442 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 443 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 444 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 445 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 446 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 447 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 448 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 449 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 450 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 451 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 452 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 453 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 454 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 455 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 456 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 457 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 458 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 459 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 460 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 461 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 462 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 463 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 464 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 465 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 466 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 467 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 468 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 469 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 470 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 471 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 472 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 473 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 474 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 475 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 476 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 477 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 478 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 479 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 480 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 481 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 482 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 483 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 484 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 485 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 486 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 487 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 488 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 489 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 490 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 491 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 492 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 493 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 494 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 495 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 496 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 497 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 498 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 499 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 500 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 501 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 502 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 503 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 504 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 505 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 506 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 507 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 508 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 509 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 510 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 511 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 512 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 513 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 514 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 515 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 516 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 517 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 518 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 519 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 520 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 521 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 522 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 523 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 524 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 525 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 526 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 527 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 528 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 529 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 530 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 531 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 532 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 533 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 534 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 535 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 536 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 537 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 538 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 539 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 540 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 541 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 542 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 543 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 544 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 545 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 546 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 547 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 548 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 549 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 550 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 551 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 552 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 553 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 554 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 555 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 556 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 557 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 558 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 559 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 560 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 561 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 562 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 563 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 564 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 565 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 566 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 567 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 568 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 569 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 570 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 571 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 572 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 573 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 574 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 575 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 576 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 577 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 578 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 579 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 580 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 581 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 582 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 583 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 584 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 585 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 586 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 587 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 588 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 589 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 590 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo40_s20.cif b/soup/screen/mmcifs/denovo40_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..7ceb7a77c6262bf9e6b302c68fbb0f48de03dedf --- /dev/null +++ b/soup/screen/mmcifs/denovo40_s20.cif @@ -0,0 +1,605 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 20 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 21 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 22 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 23 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 24 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 29 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 30 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 31 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 36 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 37 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 38 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 39 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 40 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 45 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 46 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 47 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 48 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 49 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 54 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 55 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 56 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 57 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 58 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 59 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 60 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 61 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 62 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 63 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 64 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 65 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 66 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 71 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 72 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 73 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 78 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 79 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 80 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 81 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 82 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 83 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 84 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 85 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 86 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 87 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 88 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 89 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 90 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 91 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 92 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 93 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 98 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 99 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 100 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 105 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 106 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 111 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 112 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 113 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 118 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 119 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 120 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 121 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 122 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 127 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 128 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 133 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 134 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 135 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 136 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 137 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 142 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 143 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 144 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 145 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 146 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 147 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 148 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 149 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 150 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 151 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 152 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 153 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 154 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 155 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 156 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 157 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 158 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 159 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 160 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 161 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 162 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 163 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 164 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 165 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 166 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 167 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 168 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 169 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 170 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 171 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 172 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 173 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 174 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 175 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 176 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 177 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 178 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 179 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 180 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 181 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 182 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 183 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 184 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 185 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 186 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 187 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 192 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 193 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 194 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 195 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 196 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 197 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 198 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 199 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 200 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 201 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 202 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 203 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 204 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 205 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 206 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 207 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 208 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 209 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 214 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 215 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 216 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 217 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 218 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 219 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 220 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 221 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 222 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 223 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 224 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 225 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 226 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 227 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 228 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 229 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 230 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 231 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 232 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 233 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 234 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 235 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 236 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 237 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 238 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 239 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 240 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 241 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 242 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 247 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 248 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 249 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 250 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 251 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 252 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 253 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 254 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 255 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 256 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 257 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 258 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 259 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 260 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 261 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 262 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 263 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 264 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 265 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 266 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 267 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 268 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 269 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 270 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 271 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 272 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 273 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 274 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 275 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 276 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 277 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 278 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 279 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 280 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 281 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 282 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 283 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 288 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 289 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 290 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 291 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 292 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 293 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 294 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 299 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 300 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 301 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 302 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 303 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 304 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 305 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 306 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 307 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 308 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 309 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 310 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 311 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 312 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 313 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 314 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 315 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 316 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 317 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 318 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 319 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 320 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 321 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 322 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 323 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 328 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 329 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 330 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 331 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 332 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 333 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 334 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 335 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 336 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 337 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 338 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 339 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 340 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 341 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 342 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 343 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 344 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 345 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 346 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 347 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 348 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 349 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 350 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 351 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 352 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 353 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 354 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 355 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 356 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 357 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 358 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 359 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 360 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 361 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 362 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 363 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 364 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 365 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 366 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 367 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 368 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 369 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 370 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 371 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 372 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 373 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 374 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 375 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 376 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 377 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 378 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 379 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 380 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 381 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 382 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 383 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 384 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 385 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 386 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 387 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 388 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 389 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 390 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 391 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 392 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 393 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 394 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 395 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 400 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 401 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 402 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 403 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 404 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 405 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 406 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 407 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 408 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 409 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 410 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 411 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 412 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 413 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 414 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 415 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 416 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 417 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 418 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 419 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 420 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 421 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 422 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 423 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 424 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 425 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 426 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 427 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 428 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 429 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 430 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 431 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 432 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 433 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 434 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 435 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 436 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 437 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 438 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 439 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 440 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 441 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 442 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 443 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 444 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 445 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 446 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 447 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 448 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 449 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 450 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 451 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 452 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 453 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 454 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 455 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 456 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 457 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 458 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 459 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 460 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 461 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 462 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 463 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 464 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 465 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 466 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 467 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 468 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 469 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 470 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 471 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 472 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 473 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 474 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 475 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 476 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 477 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 478 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 479 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 480 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 481 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 482 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 483 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 484 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 485 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 486 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 487 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 488 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 489 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 490 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 491 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 492 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 493 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 494 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 495 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 496 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 497 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 498 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 499 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 500 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 501 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 506 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 507 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 508 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 509 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 510 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 511 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 512 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 513 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 514 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 515 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 516 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 517 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 518 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 519 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 520 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 521 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 522 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 523 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 524 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 525 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 526 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 527 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 528 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 529 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 530 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 531 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 532 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 533 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 534 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 535 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 536 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 537 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 538 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 539 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 540 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 541 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 542 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 543 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 544 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 545 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 546 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 547 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 548 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 549 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 550 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 551 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 552 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 553 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 554 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 555 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 556 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 557 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 558 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 559 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 560 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 561 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 562 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 563 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 564 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 565 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 566 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 567 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 568 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 569 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 570 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 571 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 572 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 573 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 574 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 575 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 576 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 577 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 578 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 579 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 580 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 581 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 582 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 583 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 584 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 585 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 586 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 587 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 588 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 589 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo41_s20.cif b/soup/screen/mmcifs/denovo41_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b55d4c50e9e17fb91dd78d894a7125ccbb4d158d --- /dev/null +++ b/soup/screen/mmcifs/denovo41_s20.cif @@ -0,0 +1,568 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 12 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 17 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 18 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 19 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 24 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 25 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 30 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 31 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 32 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 37 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 38 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 39 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 40 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 41 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 42 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 43 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 44 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 45 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 46 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 47 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 48 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 49 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 50 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 51 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 52 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 53 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 54 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 55 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 56 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 57 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 58 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 59 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 60 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 61 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 62 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 63 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 64 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 65 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 66 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 67 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 68 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 69 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 70 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 71 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 72 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 73 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 74 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 75 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 76 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 77 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 78 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 79 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 80 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 81 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 82 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 83 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 84 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 85 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 86 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 87 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 88 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 89 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 90 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 91 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 92 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 93 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 94 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 95 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 96 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 97 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 98 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 99 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 100 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 101 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 102 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 103 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 104 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 109 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 110 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 111 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 112 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 113 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 114 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 115 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 116 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 117 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 118 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 119 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 120 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 121 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 122 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 123 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 124 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 125 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 126 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 127 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 128 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 129 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 130 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 131 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 132 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 133 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 134 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 135 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 136 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 137 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 138 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 139 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 140 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 141 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 142 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 143 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 144 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 145 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 146 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 147 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 148 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 149 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 150 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 151 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 152 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 153 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 154 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 155 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 156 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 157 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 158 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 159 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 160 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 161 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 162 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 163 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 164 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 165 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 166 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 167 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 168 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 169 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 170 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 171 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 172 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 173 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 174 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 175 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 176 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 177 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 178 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 179 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 180 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 181 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 182 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 183 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 184 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 185 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 186 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 187 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 188 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 189 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 190 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 191 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 192 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 193 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 194 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 195 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 196 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 197 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 198 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 199 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 200 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 201 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 202 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 203 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 204 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 205 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 206 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 207 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 208 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 209 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 210 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 211 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 212 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 213 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 214 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 215 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 216 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 217 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 218 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 219 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 220 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 221 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 222 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 223 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 224 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 225 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 226 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 227 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 228 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 229 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 230 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 231 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 232 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 233 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 234 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 235 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 236 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 237 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 238 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 239 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 240 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 241 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 242 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 243 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 244 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 245 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 246 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 247 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 248 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 249 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 250 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 251 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 252 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 253 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 254 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 255 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 256 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 257 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 258 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 259 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 260 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 261 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 262 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 263 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 264 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 265 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 266 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 267 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 268 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 269 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 270 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 271 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 272 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 273 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 274 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 275 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 276 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 277 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 278 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 279 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 280 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 281 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 282 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 283 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 284 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 285 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 286 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 287 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 288 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 289 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 290 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 291 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 292 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 293 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 294 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 295 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 296 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 297 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 298 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 299 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 300 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 301 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 302 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 303 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 304 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 305 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 306 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 307 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 308 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 309 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 310 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 311 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 312 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 313 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 314 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 315 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 316 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 317 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 318 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 319 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 320 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 321 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 322 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 323 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 324 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 325 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 326 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 327 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 328 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 329 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 330 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 331 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 332 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 333 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 334 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 335 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 336 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 337 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 338 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 339 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 340 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 341 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 342 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 343 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 344 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 345 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 346 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 347 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 348 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 349 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 350 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 351 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 352 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 353 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 354 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 355 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 356 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 357 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 358 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 359 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 360 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 361 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 362 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 363 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 364 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 365 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 366 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 367 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 368 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 369 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 370 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 371 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 372 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 373 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 374 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 375 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 376 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 377 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 378 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 379 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 380 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 381 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 382 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 383 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 384 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 385 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 386 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 387 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 388 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 389 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 390 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 391 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 392 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 393 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 394 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 395 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 396 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 397 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 398 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 399 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 400 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 401 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 402 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 403 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 404 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 405 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 406 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 407 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 408 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 409 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 410 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 411 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 412 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 413 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 414 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 415 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 416 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 417 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 418 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 419 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 420 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 421 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 422 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 423 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 424 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 425 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 426 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 427 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 428 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 429 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 430 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 431 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 432 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 433 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 434 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 435 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 436 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 437 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 438 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 439 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 440 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 441 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 442 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 443 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 444 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 445 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 446 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 447 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 448 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 449 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 450 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 451 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 452 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 453 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 454 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 455 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 456 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 457 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 458 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 459 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 460 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 461 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 462 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 463 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 464 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 465 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 466 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 467 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 468 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 469 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 470 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 471 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 472 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 473 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 474 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 475 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 476 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 477 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 478 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 479 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 480 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 481 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 482 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 483 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 484 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 485 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 486 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 487 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 488 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 489 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 490 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 491 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 492 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 493 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 494 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 495 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 496 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 497 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 498 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 499 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 500 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 501 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 502 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 503 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 504 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 505 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 506 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 507 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 508 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 509 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 510 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 511 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 512 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 513 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 514 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 515 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 516 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 517 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 518 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 519 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 520 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 521 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 522 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 523 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 524 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 525 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 526 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 527 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 528 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 529 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 530 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 531 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 532 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 533 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 534 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 535 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 536 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 537 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 538 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 539 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 540 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 541 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 542 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 543 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 544 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 545 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 546 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 547 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 548 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 549 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 550 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 551 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 552 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo42_s20.cif b/soup/screen/mmcifs/denovo42_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c830bebbdabd20cbf52820fb225f5f53daeda355 --- /dev/null +++ b/soup/screen/mmcifs/denovo42_s20.cif @@ -0,0 +1,617 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 15 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 16 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 17 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 18 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 23 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 32 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 33 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 34 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 35 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 36 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 37 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 38 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 43 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 44 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 45 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 46 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 47 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 52 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 53 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 54 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 55 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 56 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 57 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 58 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 59 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 60 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 61 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 62 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 63 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 64 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 65 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 66 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 67 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 68 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 69 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 74 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 75 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 88 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 89 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 90 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 95 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 96 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 97 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 98 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 99 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 100 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 101 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 106 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 107 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 108 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 109 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 110 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 115 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 116 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 117 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 118 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 119 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 120 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 121 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 122 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 123 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 124 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 125 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 126 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 127 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 128 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 129 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 130 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 131 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 132 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 133 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 134 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 135 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 136 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 137 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 138 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 139 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 140 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 141 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 142 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 143 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 144 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 145 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 146 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 147 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 148 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 149 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 150 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 151 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 152 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 153 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 154 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 155 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 156 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 161 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 162 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 163 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 164 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 165 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 166 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 167 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 168 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 169 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 170 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 171 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 172 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 173 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 174 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 175 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 176 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 177 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 178 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 179 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 180 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 181 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 182 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 183 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 184 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 185 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 186 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 187 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 192 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 193 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 194 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 195 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 196 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 197 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 198 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 199 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 200 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 201 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 202 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 203 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 204 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 205 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 206 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 207 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 208 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 209 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 210 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 211 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 212 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 213 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 214 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 215 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 216 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 217 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 218 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 219 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 220 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 221 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 222 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 223 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 224 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 225 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 226 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 227 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 228 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 229 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 230 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 231 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 232 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 233 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 234 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 235 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 236 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 237 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 238 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 239 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 240 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 241 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 242 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 243 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 244 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 245 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 246 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 247 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 248 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 249 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 250 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 251 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 252 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 253 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 254 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 255 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 256 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 257 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 258 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 259 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 260 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 261 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 262 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 263 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 264 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 265 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 266 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 267 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 268 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 269 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 270 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 271 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 272 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 273 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 274 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 275 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 276 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 277 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 278 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 279 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 280 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 281 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 282 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 283 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 284 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 285 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 286 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 287 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 288 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 289 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 290 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 291 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 292 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 293 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 294 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 295 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 296 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 297 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 298 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 299 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 300 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 301 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 302 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 303 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 304 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 305 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 306 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 307 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 308 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 309 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 310 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 311 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 312 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 313 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 314 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 315 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 316 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 317 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 318 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 319 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 320 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 321 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 322 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 323 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 328 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 329 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 330 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 331 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 332 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 333 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 334 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 335 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 336 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 337 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 342 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 343 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 344 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 345 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 346 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 347 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 348 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 349 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 350 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 351 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 352 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 353 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 354 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 355 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 356 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 357 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 358 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 359 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 360 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 361 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 362 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 363 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 364 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 365 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 366 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 367 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 368 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 369 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 370 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 371 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 372 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 373 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 374 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 375 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 376 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 377 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 378 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 379 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 380 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 381 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 382 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 383 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 384 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 385 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 386 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 387 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 388 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 389 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 390 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 391 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 392 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 393 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 394 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 395 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 400 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 401 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 402 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 403 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 404 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 405 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 406 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 407 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 408 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 409 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 410 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 411 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 412 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 413 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 414 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 415 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 416 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 417 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 418 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 419 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 420 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 421 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 422 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 423 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 424 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 425 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 426 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 427 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 428 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 429 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 430 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 431 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 432 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 433 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 434 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 435 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 436 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 437 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 438 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 439 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 440 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 441 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 442 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 443 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 444 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 445 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 446 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 447 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 448 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 449 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 450 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 451 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 452 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 453 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 454 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 455 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 456 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 457 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 458 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 459 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 460 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 461 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 462 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 463 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 464 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 465 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 466 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 467 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 468 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 469 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 470 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 471 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 472 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 473 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 474 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 475 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 476 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 477 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 478 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 479 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 480 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 481 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 482 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 483 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 484 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 485 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 486 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 487 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 488 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 489 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 490 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 491 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 492 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 493 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 494 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 495 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 496 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 497 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 498 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 499 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 500 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 501 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 502 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 503 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 504 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 505 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 506 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 507 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 508 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 509 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 510 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 511 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 512 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 513 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 514 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 515 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 516 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 517 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 518 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 519 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 520 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 521 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 522 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 523 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 524 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 525 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 526 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 527 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 528 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 529 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 530 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 531 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 532 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 533 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 534 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 535 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 536 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 537 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 538 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 539 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 540 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 541 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 542 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 543 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 544 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 545 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 546 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 547 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 548 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 549 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 550 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 551 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 552 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 553 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 554 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 555 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 556 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 557 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 558 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 559 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 560 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 561 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 562 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 563 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 564 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 565 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 566 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 567 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 568 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 569 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 570 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 571 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 572 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 573 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 574 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 575 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 576 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 577 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 578 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 579 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 580 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 581 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 582 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 583 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 584 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 585 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 586 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 587 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 588 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 589 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 590 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 591 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 592 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 593 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 594 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 595 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 596 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 597 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 598 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 599 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 600 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 601 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo43_s20.cif b/soup/screen/mmcifs/denovo43_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..5c06a367901f086392c32e4fa377d991a1c2f2a7 --- /dev/null +++ b/soup/screen/mmcifs/denovo43_s20.cif @@ -0,0 +1,608 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 13 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 14 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 15 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 16 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 17 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 22 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 23 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 28 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 29 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 34 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 43 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 44 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 45 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 46 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 47 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 48 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 49 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 50 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 51 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 52 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 53 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 54 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 55 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 56 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 57 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 58 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 59 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 60 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 61 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 62 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 63 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 64 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 69 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 70 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 71 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 72 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 73 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 78 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 79 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 80 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 85 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 86 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 87 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 92 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 93 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 94 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 95 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 96 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 97 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 98 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 99 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 100 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 101 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 110 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 111 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 112 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 113 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 118 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 119 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 120 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 125 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 126 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 127 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 128 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 129 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 130 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 131 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 132 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 133 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 134 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 135 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 136 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 137 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 138 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 139 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 140 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 141 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 142 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 143 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 144 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 145 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 150 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 151 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 156 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 157 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 158 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 159 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 160 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 161 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 162 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 167 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 168 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 169 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 170 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 171 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 172 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 173 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 174 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 175 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 176 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 177 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 178 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 179 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 180 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 181 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 182 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 183 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 184 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 185 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 186 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 187 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 188 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 189 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 190 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 191 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 192 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 193 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 194 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 195 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 196 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 197 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 198 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 199 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 200 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 201 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 202 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 203 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 204 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 205 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 206 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 207 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 208 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 209 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 210 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 211 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 212 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 213 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 214 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 215 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 220 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 221 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 222 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 223 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 224 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 225 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 226 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 227 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 228 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 229 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 230 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 231 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 232 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 233 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 234 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 235 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 236 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 237 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 238 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 243 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 244 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 245 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 246 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 247 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 252 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 253 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 254 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 255 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 256 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 257 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 258 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 259 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 260 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 269 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 270 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 271 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 272 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 273 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 274 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 275 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 276 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 277 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 282 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 283 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 284 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 285 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 286 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 287 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 288 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 289 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 290 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 291 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 292 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 293 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 294 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 295 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 296 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 297 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 298 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 299 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 300 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 301 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 302 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 303 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 304 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 305 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 306 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 307 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 308 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 309 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 310 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 311 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 312 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 313 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 314 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 315 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 316 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 317 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 318 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 319 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 320 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 321 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 326 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 327 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 328 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 329 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 330 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 335 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 336 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 337 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 342 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 343 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 344 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 345 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 346 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 347 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 348 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 349 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 350 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 351 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 352 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 353 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 354 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 355 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 356 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 357 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 358 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 359 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 360 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 361 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 362 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 363 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 364 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 365 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 366 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 367 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 368 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 369 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 370 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 371 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 372 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 373 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 374 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 375 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 376 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 377 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 378 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 379 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 380 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 381 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 382 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 383 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 384 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 385 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 386 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 387 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 388 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 389 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 390 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 391 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 392 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 393 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 394 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 395 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 396 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 397 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 398 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 399 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 400 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 401 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 402 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 403 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 404 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 405 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 406 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 407 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 408 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 409 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 410 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 411 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 412 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 413 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 414 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 415 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 416 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 417 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 418 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 419 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 420 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 421 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 422 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 423 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 424 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 425 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 426 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 427 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 428 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 429 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 430 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 431 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 432 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 433 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 434 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 435 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 436 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 437 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 438 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 439 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 440 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 441 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 442 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 443 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 444 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 445 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 446 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 447 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 448 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 449 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 450 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 451 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 452 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 453 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 454 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 455 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 456 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 457 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 458 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 459 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 460 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 461 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 462 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 463 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 464 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 465 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 466 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 467 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 468 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 469 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 470 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 471 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 472 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 473 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 474 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 475 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 476 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 477 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 478 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 479 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 480 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 481 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 482 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 483 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 484 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 485 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 486 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 487 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 488 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 489 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 490 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 491 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 492 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 493 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 494 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 495 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 496 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 497 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 498 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 499 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 500 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 501 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 502 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 503 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 504 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 505 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 506 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 507 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 508 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 509 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 510 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 511 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 512 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 513 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 514 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 515 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 516 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 517 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 518 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 519 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 520 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 521 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 522 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 523 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 524 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 525 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 526 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 527 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 528 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 529 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 530 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 531 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 532 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 533 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 534 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 535 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 536 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 537 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 538 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 539 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 540 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 541 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 542 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 543 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 544 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 545 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 546 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 547 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 548 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 549 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 550 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 551 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 552 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 553 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 554 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 555 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 556 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 557 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 558 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 559 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 560 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 561 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 562 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 563 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 564 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 565 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 566 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 567 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 568 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 569 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 570 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 571 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 572 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 573 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 574 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 575 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 576 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 577 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 578 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 579 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 580 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 581 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 582 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 583 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 584 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 585 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 586 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 587 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 588 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 589 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 590 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 591 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 592 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo44_s20.cif b/soup/screen/mmcifs/denovo44_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..51f3bab90e68f119dafa52fd87771ac2dea71855 --- /dev/null +++ b/soup/screen/mmcifs/denovo44_s20.cif @@ -0,0 +1,575 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 13 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 18 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 23 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 24 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 25 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 26 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 27 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 32 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 33 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 38 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 39 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 40 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 41 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 42 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 43 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 44 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 45 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 46 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 47 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 48 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 49 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 50 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 51 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 52 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 53 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 54 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 55 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 56 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 57 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 58 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 59 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 60 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 61 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 62 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 63 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 64 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 65 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 66 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 67 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 68 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 69 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 70 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 71 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 72 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 73 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 74 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 75 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 76 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 77 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 78 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 79 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 80 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 81 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 82 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 83 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 84 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 85 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 86 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 87 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 88 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 89 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 90 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 91 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 92 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 93 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 94 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 95 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 96 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 97 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 98 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 99 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 100 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 101 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 102 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 103 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 104 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 105 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 106 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 107 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 108 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 109 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 110 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 111 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 112 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 113 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 114 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 115 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 116 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 117 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 118 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 119 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 120 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 121 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 122 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 123 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 124 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 125 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 126 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 127 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 128 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 129 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 130 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 131 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 132 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 133 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 134 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 135 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 136 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 137 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 138 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 139 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 140 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 141 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 142 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 143 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 144 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 145 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 146 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 147 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 148 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 149 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 150 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 151 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 152 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 153 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 154 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 155 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 156 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 157 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 158 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 159 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 160 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 161 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 162 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 163 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 164 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 165 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 166 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 167 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 168 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 169 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 170 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 171 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 172 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 173 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 174 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 175 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 176 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 177 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 178 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 179 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 180 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 181 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 182 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 183 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 184 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 185 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 186 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 187 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 188 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 189 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 190 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 191 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 192 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 193 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 194 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 195 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 196 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 197 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 198 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 199 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 200 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 201 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 202 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 203 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 204 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 205 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 206 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 207 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 208 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 209 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 210 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 211 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 212 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 213 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 214 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 215 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 216 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 217 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 218 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 219 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 220 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 221 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 222 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 223 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 224 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 229 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 230 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 231 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 232 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 233 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 234 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 235 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 236 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 237 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 238 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 239 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 240 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 241 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 242 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 243 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 244 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 245 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 246 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 251 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 252 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 257 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 258 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 259 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 260 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 261 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 262 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 263 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 264 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 265 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 266 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 267 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 268 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 269 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 270 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 271 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 272 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 273 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 274 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 275 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 276 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 277 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 278 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 279 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 280 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 281 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 282 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 283 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 284 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 285 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 286 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 287 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 288 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 289 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 290 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 291 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 292 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 293 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 294 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 295 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 296 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 297 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 298 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 299 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 300 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 301 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 302 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 303 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 304 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 305 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 306 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 307 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 308 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 309 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 310 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 311 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 312 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 313 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 314 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 315 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 316 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 317 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 318 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 319 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 320 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 321 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 322 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 323 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 324 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 325 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 326 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 327 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 328 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 329 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 330 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 331 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 332 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 333 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 334 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 335 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 336 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 337 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 338 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 339 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 340 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 341 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 342 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 343 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 344 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 345 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 346 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 347 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 348 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 349 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 350 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 351 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 352 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 353 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 354 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 355 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 360 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 361 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 362 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 363 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 364 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 365 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 366 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 367 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 368 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 369 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 370 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 371 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 372 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 373 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 374 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 375 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 376 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 377 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 378 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 379 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 380 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 381 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 382 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 383 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 384 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 385 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 386 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 387 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 388 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 389 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 390 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 391 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 392 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 393 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 394 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 395 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 396 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 397 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 398 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 399 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 400 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 401 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 402 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 403 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 404 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 405 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 406 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 407 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 408 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 409 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 410 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 411 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 412 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 413 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 414 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 415 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 416 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 417 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 418 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 419 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 420 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 421 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 422 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 423 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 424 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 425 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 426 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 427 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 428 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 429 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 430 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 431 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 432 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 433 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 434 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 435 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 436 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 437 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 438 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 439 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 440 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 441 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 442 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 443 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 444 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 445 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 446 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 447 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 448 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 449 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 454 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 455 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 456 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 457 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 458 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 459 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 460 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 461 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 462 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 463 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 464 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 465 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 466 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 467 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 468 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 469 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 470 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 471 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 472 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 473 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 474 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 475 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 476 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 481 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 482 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 483 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 484 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 485 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 486 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 487 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 488 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 489 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 490 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 491 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 492 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 493 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 494 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 495 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 496 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 497 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 498 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 499 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 500 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 501 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 502 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 503 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 504 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 509 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 510 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 511 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 512 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 513 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 514 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 515 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 516 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 517 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 518 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 519 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 520 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 521 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 522 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 523 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 524 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 525 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 526 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 527 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 528 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 529 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 530 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 531 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 532 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 533 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 534 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 535 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 536 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 537 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 538 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 539 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 540 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 541 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 542 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 543 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 544 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 545 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 546 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 547 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 548 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 549 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 550 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 551 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 552 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 553 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 554 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 555 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 556 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 557 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 558 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 559 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo45_s20.cif b/soup/screen/mmcifs/denovo45_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..a2b38f7ac44656075e3b3cf2e0b3b881700294e8 --- /dev/null +++ b/soup/screen/mmcifs/denovo45_s20.cif @@ -0,0 +1,571 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 13 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 18 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 19 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 20 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 25 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 30 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 31 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 32 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 33 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 34 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 39 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 40 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 41 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 46 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 47 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 48 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 49 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 50 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 51 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 52 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 53 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 54 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 55 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 56 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 57 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 58 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 59 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 60 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 61 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 62 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 63 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 64 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 65 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 66 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 67 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 68 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 69 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 70 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 71 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 72 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 73 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 74 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 75 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 76 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 77 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 78 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 79 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 80 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 81 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 82 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 83 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 84 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 85 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 86 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 87 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 88 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 89 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 94 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 95 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 96 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 97 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 98 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 99 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 100 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 101 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 102 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 107 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 108 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 109 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 110 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 111 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 116 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 117 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 118 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 119 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 120 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 121 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 122 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 123 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 124 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 125 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 126 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 127 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 128 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 129 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 130 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 131 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 132 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 133 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 134 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 135 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 136 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 137 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 138 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 139 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 140 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 141 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 142 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 143 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 144 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 145 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 146 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 147 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 148 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 149 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 150 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 151 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 152 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 153 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 154 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 155 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 156 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 157 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 158 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 159 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 160 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 161 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 162 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 163 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 164 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 165 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 170 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 171 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 172 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 173 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 174 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 175 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 176 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 177 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 178 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 179 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 180 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 181 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 186 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 187 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 188 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 193 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 194 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 195 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 196 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 197 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 198 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 199 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 200 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 201 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 202 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 203 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 204 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 205 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 206 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 207 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 208 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 209 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 210 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 211 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 212 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 213 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 214 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 215 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 216 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 217 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 218 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 219 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 220 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 221 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 222 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 223 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 224 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 225 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 226 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 227 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 228 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 229 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 230 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 231 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 232 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 233 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 234 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 235 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 236 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 237 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 238 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 239 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 240 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 241 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 242 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 243 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 244 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 245 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 246 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 247 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 248 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 249 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 250 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 251 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 252 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 253 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 254 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 255 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 256 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 257 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 258 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 259 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 260 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 261 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 262 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 263 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 264 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 265 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 266 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 267 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 268 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 269 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 270 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 271 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 272 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 273 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 274 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 275 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 276 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 277 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 278 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 279 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 284 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 285 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 286 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 287 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 288 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 289 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 290 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 291 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 292 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 293 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 294 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 295 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 296 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 297 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 298 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 299 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 300 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 301 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 302 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 303 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 304 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 305 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 306 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 307 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 308 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 309 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 310 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 311 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 312 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 313 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 314 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 315 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 316 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 317 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 318 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 319 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 320 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 321 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 322 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 323 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 324 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 325 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 326 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 327 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 328 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 329 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 330 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 331 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 332 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 333 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 334 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 335 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 336 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 337 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 338 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 339 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 340 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 341 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 342 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 343 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 344 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 345 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 346 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 347 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 348 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 349 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 350 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 351 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 352 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 353 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 354 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 355 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 356 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 357 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 358 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 359 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 360 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 361 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 362 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 363 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 364 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 365 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 366 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 367 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 368 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 369 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 370 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 371 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 372 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 373 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 374 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 375 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 376 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 377 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 378 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 379 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 380 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 381 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 382 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 383 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 384 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 385 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 386 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 387 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 388 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 389 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 390 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 391 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 392 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 393 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 394 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 395 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 396 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 397 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 398 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 399 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 400 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 401 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 402 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 403 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 404 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 405 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 406 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 407 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 408 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 409 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 410 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 411 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 412 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 413 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 414 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 415 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 416 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 417 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 418 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 419 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 420 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 421 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 422 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 423 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 424 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 425 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 426 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 427 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 428 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 429 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 430 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 431 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 432 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 433 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 434 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 435 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 436 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 437 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 438 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 439 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 440 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 441 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 442 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 443 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 444 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 445 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 446 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 447 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 448 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 449 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 450 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 451 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 452 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 453 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 454 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 455 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 456 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 457 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 458 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 459 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 460 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 461 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 462 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 463 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 464 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 465 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 466 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 467 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 468 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 469 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 470 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 471 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 472 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 473 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 474 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 475 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 476 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 477 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 478 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 479 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 480 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 481 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 482 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 483 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 484 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 485 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 486 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 487 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 488 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 489 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 490 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 491 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 492 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 493 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 494 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 495 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 496 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 497 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 498 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 499 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 500 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 501 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 502 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 503 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 504 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 505 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 506 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 507 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 508 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 509 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 510 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 511 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 512 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 513 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 514 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 515 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 516 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 517 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 518 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 519 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 520 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 521 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 522 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 523 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 524 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 525 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 526 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 527 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 528 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 529 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 530 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 531 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 532 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 533 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 534 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 535 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 536 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 537 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 538 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 539 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 540 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 541 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 542 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 543 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 544 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 545 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 546 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 547 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 548 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 549 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 550 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 551 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 552 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 553 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 554 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 555 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo46_s20.cif b/soup/screen/mmcifs/denovo46_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..671918e943e5c9343d20dc264f96023ac6f6fc4f --- /dev/null +++ b/soup/screen/mmcifs/denovo46_s20.cif @@ -0,0 +1,627 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 19 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 20 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 21 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 26 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 27 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 28 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 29 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 34 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 35 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 36 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 37 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 38 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 43 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 44 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 45 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 46 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 47 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 52 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 53 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 54 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 63 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 64 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 65 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 70 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 71 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 72 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 73 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 74 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 79 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 80 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 81 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 82 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 87 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 88 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 89 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 102 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 103 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 104 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 105 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 106 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 107 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 108 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 109 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 110 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 115 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 116 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 117 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 122 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 123 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 124 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 125 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 126 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 127 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 128 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 133 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 134 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 135 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 140 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 141 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 142 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 143 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 148 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 149 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 150 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 155 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 156 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 157 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 158 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 159 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 160 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 161 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 162 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 163 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 164 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 165 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 166 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 167 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 168 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 169 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 174 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 175 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 176 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 177 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 178 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 179 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 180 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 181 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 182 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 183 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 184 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 185 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 186 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 187 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 188 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 189 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 190 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 191 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 192 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 193 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 194 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 195 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 196 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 197 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 198 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 199 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 200 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 201 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 202 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 203 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 204 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 205 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 206 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 207 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 212 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 213 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 214 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 215 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 216 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 217 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 218 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 219 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 220 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 221 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 222 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 223 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 224 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 229 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 230 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 231 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 232 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 237 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 238 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 239 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 244 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 245 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 246 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 247 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 248 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 249 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 250 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 251 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 252 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 253 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 254 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 255 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 256 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 257 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 258 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 259 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 260 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 261 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 262 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 263 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 264 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 265 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 266 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 267 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 268 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 269 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 270 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 271 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 272 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 273 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 274 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 275 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 276 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 277 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 278 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 279 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 280 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 281 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 282 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 287 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 288 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 289 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 290 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 291 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 292 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 293 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 294 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 295 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 296 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 297 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 298 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 299 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 300 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 301 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 302 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 303 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 304 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 305 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 306 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 307 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 308 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 309 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 310 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 311 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 312 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 313 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 314 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 315 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 316 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 317 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 318 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 319 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 320 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 321 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 322 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 323 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 324 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 325 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 326 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 327 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 328 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 329 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 330 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 331 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 332 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 333 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 334 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 335 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 336 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 337 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 338 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 339 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 340 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 341 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 342 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 343 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 344 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 345 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 346 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 347 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 348 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 349 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 350 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 351 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 352 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 353 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 354 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 355 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 356 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 357 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 358 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 359 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 360 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 361 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 362 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 363 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 364 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 365 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 366 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 367 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 368 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 369 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 370 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 371 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 372 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 373 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 374 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 375 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 376 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 377 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 378 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 379 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 380 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 381 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 382 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 383 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 384 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 385 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 386 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 387 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 388 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 389 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 390 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 391 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 392 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 393 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 394 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 395 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 396 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 397 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 398 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 399 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 400 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 401 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 402 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 403 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 404 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 405 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 406 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 407 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 408 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 409 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 410 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 411 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 412 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 413 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 414 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 415 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 416 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 417 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 418 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 419 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 420 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 421 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 422 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 423 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 424 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 425 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 426 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 427 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 428 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 429 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 430 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 431 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 432 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 433 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 434 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 435 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 436 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 437 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 438 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 439 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 440 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 441 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 442 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 443 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 444 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 445 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 446 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 447 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 448 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 449 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 450 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 451 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 452 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 453 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 454 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 455 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 456 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 457 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 458 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 459 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 460 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 461 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 462 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 463 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 464 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 465 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 466 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 467 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 468 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 469 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 470 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 471 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 472 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 473 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 474 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 475 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 476 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 477 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 478 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 479 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 480 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 481 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 482 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 483 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 484 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 485 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 486 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 487 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 488 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 489 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 490 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 491 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 492 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 493 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 494 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 495 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 496 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 497 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 498 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 499 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 500 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 501 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 502 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 503 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 504 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 505 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 506 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 507 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 508 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 509 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 510 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 511 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 512 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 513 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 514 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 515 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 516 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 517 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 518 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 519 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 520 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 521 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 522 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 523 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 524 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 525 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 526 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 527 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 528 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 529 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 530 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 531 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 532 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 533 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 534 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 535 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 536 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 537 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 538 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 539 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 540 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 541 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 542 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 543 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 544 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 545 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 546 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 547 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 548 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 549 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 550 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 551 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 552 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 553 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 554 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 555 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 556 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 557 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 558 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 559 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 560 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 561 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 562 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 563 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 564 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 565 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 566 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 567 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 568 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 569 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 570 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 571 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 572 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 573 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 574 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 575 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 576 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 577 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 578 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 579 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 580 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 581 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 582 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 583 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 584 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 585 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 586 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 587 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 588 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 589 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 590 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 591 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 592 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 593 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 594 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 595 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 596 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 597 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 598 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 599 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 600 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 601 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 602 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 603 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 604 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 605 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 606 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 607 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 608 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 609 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 610 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 611 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo47_s20.cif b/soup/screen/mmcifs/denovo47_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6d6f83893a44250ba3b680b594f5d522e7788019 --- /dev/null +++ b/soup/screen/mmcifs/denovo47_s20.cif @@ -0,0 +1,600 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 10 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 11 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 12 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 13 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 18 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 23 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 24 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 25 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 26 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 31 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 32 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 33 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 38 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 43 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 44 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 45 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 46 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 47 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 52 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 53 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 54 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 55 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 60 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 61 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 62 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 63 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 64 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 69 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 74 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 75 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 76 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 77 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 78 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 79 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 80 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 81 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 82 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 87 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 88 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 89 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 94 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 95 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 96 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 97 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 102 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 107 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 108 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 109 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 110 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 111 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 112 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 113 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 114 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 115 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 116 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 117 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 118 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 119 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 120 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 121 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 122 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 123 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 124 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 125 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 126 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 127 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 128 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 129 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 130 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 131 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 132 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 133 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 134 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 135 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 136 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 137 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 138 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 139 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 140 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 141 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 142 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 143 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 144 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 145 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 146 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 147 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 148 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 149 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 150 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 151 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 152 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 153 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 154 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 155 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 156 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 157 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 158 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 159 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 160 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 161 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 162 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 163 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 164 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 165 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 166 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 167 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 168 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 169 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 170 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 171 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 172 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 173 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 174 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 175 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 176 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 177 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 178 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 179 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 184 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 185 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 186 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 187 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 188 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 193 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 194 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 195 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 196 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 197 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 198 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 199 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 200 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 201 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 202 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 203 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 204 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 205 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 206 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 207 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 208 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 209 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 210 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 211 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 212 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 213 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 214 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 215 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 216 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 217 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 218 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 219 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 220 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 221 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 222 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 223 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 224 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 225 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 226 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 227 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 228 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 229 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 230 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 231 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 232 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 233 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 234 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 235 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 240 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 241 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 242 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 247 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 248 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 249 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 250 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 251 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 252 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 253 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 254 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 255 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 256 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 257 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 258 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 259 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 260 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 261 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 262 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 263 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 264 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 265 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 266 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 267 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 268 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 269 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 270 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 271 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 272 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 273 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 274 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 275 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 276 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 281 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 282 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 283 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 288 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 289 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 290 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 291 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 292 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 297 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 298 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 299 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 300 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 301 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 302 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 303 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 304 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 305 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 306 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 307 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 308 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 309 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 310 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 311 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 312 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 313 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 314 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 315 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 316 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 317 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 318 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 319 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 320 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 321 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 322 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 323 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 324 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 325 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 326 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 327 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 328 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 329 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 330 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 331 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 332 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 333 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 334 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 335 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 336 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 337 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 342 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 343 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 344 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 345 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 346 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 347 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 348 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 349 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 350 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 351 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 352 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 353 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 354 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 355 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 356 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 357 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 358 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 359 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 360 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 361 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 362 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 363 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 364 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 365 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 366 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 367 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 368 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 369 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 370 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 371 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 372 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 373 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 374 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 375 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 376 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 377 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 378 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 379 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 380 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 381 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 382 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 383 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 384 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 385 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 386 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 387 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 388 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 389 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 390 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 391 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 392 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 393 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 394 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 399 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 400 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 401 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 402 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 403 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 404 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 405 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 406 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 407 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 408 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 409 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 410 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 411 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 416 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 417 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 418 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 419 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 420 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 421 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 422 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 423 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 424 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 425 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 426 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 427 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 428 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 429 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 430 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 431 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 432 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 433 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 434 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 435 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 440 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 441 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 442 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 443 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 444 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 445 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 446 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 447 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 448 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 449 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 450 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 451 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 452 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 453 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 454 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 455 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 456 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 457 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 458 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 459 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 460 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 461 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 462 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 463 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 464 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 465 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 466 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 467 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 468 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 469 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 470 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 471 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 472 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 473 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 474 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 475 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 476 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 477 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 478 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 479 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 480 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 481 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 482 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 483 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 484 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 485 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 486 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 487 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 488 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 489 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 490 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 491 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 492 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 493 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 494 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 495 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 496 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 497 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 498 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 499 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 500 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 501 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 502 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 503 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 504 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 505 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 506 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 507 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 508 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 509 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 510 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 511 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 512 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 513 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 514 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 515 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 516 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 517 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 518 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 519 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 520 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 521 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 522 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 523 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 524 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 525 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 526 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 527 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 528 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 529 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 530 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 531 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 532 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 533 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 534 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 535 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 536 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 537 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 538 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 539 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 540 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 541 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 542 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 543 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 544 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 545 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 546 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 547 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 548 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 549 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 550 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 555 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 556 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 557 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 558 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 559 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 560 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 561 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 562 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 563 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 564 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 565 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 566 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 567 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 568 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 569 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 570 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 571 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 572 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 573 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 574 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 575 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 576 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 577 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 578 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 579 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 580 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 581 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 582 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 583 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 584 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo48_s20.cif b/soup/screen/mmcifs/denovo48_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..def8bd2e6fbf20fd2d9ee3a269e5fa616663aaf9 --- /dev/null +++ b/soup/screen/mmcifs/denovo48_s20.cif @@ -0,0 +1,588 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 10 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 11 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 12 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 13 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 14 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 15 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 16 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 17 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 18 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 19 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 20 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 21 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 26 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 27 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 28 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 33 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 34 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 35 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 36 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 37 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 42 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 43 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 44 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 49 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 50 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 51 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 56 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 57 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 62 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 63 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 64 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 69 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 70 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 71 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 72 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 73 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 74 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 75 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 80 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 81 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 82 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 83 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 84 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 89 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 90 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 95 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 96 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 97 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 98 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 99 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 100 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 101 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 102 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 103 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 104 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 105 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 110 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 111 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 116 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 117 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 118 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 119 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 120 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 121 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 122 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 123 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 124 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 125 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 126 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 127 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 128 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 129 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 130 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 131 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 132 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 133 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 134 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 135 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 136 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 137 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 138 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 139 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 140 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 141 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 142 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 143 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 144 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 145 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 146 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 147 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 148 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 149 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 150 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 151 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 152 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 153 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 154 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 155 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 156 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 157 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 158 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 159 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 160 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 161 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 162 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 163 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 164 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 165 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 166 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 167 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 168 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 169 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 174 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 175 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 176 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 177 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 178 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 179 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 180 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 181 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 182 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 183 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 184 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 185 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 186 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 187 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 188 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 189 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 190 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 191 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 192 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 193 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 194 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 195 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 196 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 197 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 198 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 199 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 200 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 201 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 202 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 203 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 204 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 205 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 206 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 207 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 208 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 209 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 210 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 211 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 212 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 213 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 214 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 215 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 216 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 217 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 218 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 219 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 220 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 221 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 222 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 223 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 224 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 225 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 226 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 227 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 228 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 229 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 230 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 231 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 232 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 233 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 234 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 235 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 236 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 237 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 238 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 239 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 240 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 241 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 242 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 243 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 244 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 245 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 246 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 247 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 248 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 249 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 250 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 251 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 252 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 253 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 254 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 255 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 256 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 257 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 258 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 259 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 260 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 261 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 262 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 263 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 264 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 265 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 266 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 267 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 268 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 269 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 270 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 271 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 272 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 273 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 274 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 275 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 276 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 277 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 278 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 279 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 284 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 285 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 286 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 287 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 288 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 289 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 290 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 291 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 292 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 293 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 294 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 295 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 296 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 297 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 298 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 299 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 300 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 301 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 302 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 303 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 304 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 305 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 306 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 307 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 308 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 309 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 310 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 311 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 312 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 313 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 314 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 315 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 316 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 317 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 318 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 319 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 320 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 321 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 322 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 323 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 324 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 325 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 326 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 327 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 328 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 329 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 330 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 331 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 332 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 333 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 334 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 335 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 336 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 337 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 338 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 339 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 340 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 341 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 342 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 343 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 344 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 345 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 346 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 347 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 348 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 349 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 350 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 351 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 352 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 353 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 354 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 355 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 356 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 357 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 358 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 359 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 360 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 361 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 362 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 363 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 364 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 365 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 366 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 367 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 368 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 369 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 370 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 371 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 372 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 373 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 374 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 375 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 376 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 377 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 378 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 379 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 380 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 381 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 382 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 383 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 384 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 385 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 386 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 387 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 388 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 389 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 390 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 391 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 392 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 393 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 394 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 395 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 396 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 397 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 398 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 399 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 400 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 401 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 402 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 403 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 404 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 405 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 406 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 407 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 408 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 409 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 410 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 411 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 412 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 413 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 414 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 415 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 416 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 417 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 418 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 419 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 420 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 421 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 422 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 423 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 424 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 425 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 426 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 427 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 428 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 429 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 430 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 431 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 432 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 433 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 434 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 435 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 436 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 437 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 438 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 439 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 440 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 441 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 442 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 443 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 444 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 445 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 446 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 447 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 448 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 449 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 450 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 451 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 452 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 453 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 454 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 455 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 456 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 457 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 458 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 459 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 460 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 461 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 462 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 463 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 464 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 465 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 466 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 467 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 468 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 469 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 470 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 471 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 472 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 473 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 474 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 475 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 476 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 477 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 478 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 479 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 480 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 481 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 482 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 483 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 484 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 485 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 486 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 487 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 488 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 489 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 490 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 491 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 492 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 493 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 494 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 495 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 496 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 497 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 498 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 499 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 500 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 501 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 502 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 503 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 504 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 505 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 506 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 507 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 508 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 509 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 510 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 511 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 512 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 517 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 518 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 519 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 520 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 521 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 522 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 523 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 524 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 525 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 526 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 527 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 528 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 529 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 530 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 531 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 532 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 533 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 534 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 535 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 536 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 537 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 538 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 539 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 540 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 541 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 542 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 543 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 544 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 545 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 546 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 547 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 548 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 549 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 550 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 551 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 552 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 553 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 554 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 555 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 556 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 557 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 558 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 559 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 560 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 561 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 562 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 563 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 564 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 565 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 566 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 567 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 568 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 569 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 570 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 571 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 572 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo49_s20.cif b/soup/screen/mmcifs/denovo49_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..13f3bcac7b70a19e876e48c028ba39b199796dc7 --- /dev/null +++ b/soup/screen/mmcifs/denovo49_s20.cif @@ -0,0 +1,607 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 13 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 18 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 19 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 20 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 21 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 22 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 23 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 24 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 29 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 30 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 35 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 36 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 37 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 38 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 39 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 44 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 45 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 46 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 51 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 52 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 53 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 54 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 55 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 56 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 57 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 62 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 63 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 64 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 69 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 70 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 71 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 72 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 73 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 78 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 79 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 80 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 81 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 86 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 87 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 88 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 89 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 90 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 95 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 96 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 97 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 98 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 99 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 100 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 101 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 102 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 103 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 104 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 105 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 106 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 107 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 108 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 109 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 110 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 111 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 112 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 113 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 118 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 119 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 124 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 125 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 126 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 127 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 128 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 129 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 130 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 135 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 136 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 137 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 142 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 143 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 144 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 145 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 146 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 147 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 148 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 149 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 150 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 151 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 152 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 153 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 154 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 155 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 156 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 157 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 158 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 159 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 160 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 161 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 162 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 163 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 164 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 165 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 166 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 167 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 168 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 169 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 170 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 171 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 176 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 177 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 178 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 179 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 180 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 181 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 182 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 183 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 184 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 185 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 186 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 187 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 188 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 189 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 190 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 191 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 192 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 193 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 194 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 195 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 196 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 197 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 198 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 199 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 200 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 201 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 202 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 203 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 204 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 205 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 206 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 207 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 208 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 209 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 210 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 211 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 212 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 213 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 214 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 215 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 220 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 221 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 222 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 223 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 224 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 229 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 230 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 231 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 232 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 233 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 234 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 239 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 240 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 245 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 246 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 247 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 248 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 249 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 250 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 251 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 252 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 253 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 254 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 259 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 260 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 261 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 262 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 263 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 264 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 265 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 266 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 267 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 268 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 269 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 270 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 275 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 276 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 281 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 282 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 283 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 284 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 285 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 286 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 287 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 288 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 289 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 290 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 291 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 292 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 293 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 294 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 295 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 296 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 297 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 298 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 299 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 300 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 301 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 302 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 303 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 304 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 305 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 306 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 307 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 308 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 309 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 310 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 311 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 312 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 313 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 314 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 315 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 316 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 317 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 318 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 319 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 320 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 321 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 322 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 323 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 324 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 325 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 326 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 327 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 328 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 329 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 330 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 331 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 332 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 333 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 334 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 335 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 336 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 337 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 338 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 339 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 340 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 341 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 342 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 343 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 344 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 345 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 350 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 351 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 352 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 353 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 354 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 355 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 356 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 357 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 358 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 359 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 360 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 361 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 362 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 363 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 364 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 365 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 366 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 367 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 368 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 369 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 370 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 371 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 372 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 373 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 374 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 375 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 376 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 377 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 378 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 379 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 380 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 381 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 382 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 383 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 384 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 385 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 386 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 387 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 388 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 389 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 390 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 391 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 392 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 393 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 394 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 395 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 396 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 401 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 402 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 403 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 408 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 409 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 410 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 411 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 412 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 413 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 414 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 415 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 416 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 417 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 418 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 419 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 420 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 421 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 422 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 423 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 424 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 425 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 426 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 427 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 428 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 429 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 430 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 431 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 432 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 433 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 434 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 435 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 436 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 437 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 438 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 439 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 440 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 441 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 442 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 443 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 444 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 445 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 446 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 447 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 448 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 449 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 450 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 451 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 452 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 453 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 454 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 455 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 456 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 457 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 458 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 459 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 460 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 461 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 462 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 463 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 464 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 465 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 466 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 467 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 468 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 469 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 470 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 471 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 472 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 473 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 474 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 475 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 476 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 477 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 478 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 479 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 480 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 481 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 482 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 483 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 484 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 485 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 486 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 487 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 488 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 489 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 490 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 491 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 492 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 493 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 494 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 495 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 496 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 497 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 498 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 499 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 500 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 501 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 502 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 503 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 504 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 505 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 506 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 507 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 508 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 509 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 510 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 511 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 512 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 513 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 514 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 515 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 516 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 517 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 518 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 519 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 520 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 521 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 522 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 523 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 524 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 525 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 526 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 527 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 528 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 529 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 530 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 531 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 532 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 533 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 534 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 535 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 536 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 537 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 538 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 539 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 540 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 541 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 542 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 543 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 544 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 545 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 546 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 547 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 548 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 549 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 550 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 551 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 552 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 553 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 554 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 555 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 556 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 557 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 558 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 559 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 560 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 561 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 562 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 563 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 564 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 565 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 566 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 567 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 568 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 569 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 570 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 571 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 572 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 573 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 574 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 575 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 576 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 577 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 578 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 579 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 580 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 581 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 582 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 583 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 584 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 585 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 586 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 587 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 588 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 589 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 590 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 591 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo4_s20.cif b/soup/screen/mmcifs/denovo4_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..eae7a30d1b2f6333991120ca98aed0a15fff514e --- /dev/null +++ b/soup/screen/mmcifs/denovo4_s20.cif @@ -0,0 +1,573 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 15 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 20 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 21 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 22 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 23 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 24 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 29 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 30 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 31 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 32 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 33 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 34 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 35 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 40 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 45 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 46 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 51 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 52 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 53 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 54 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 59 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 60 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 61 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 62 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 63 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 68 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 69 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 70 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 75 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 76 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 77 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 78 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 79 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 80 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 81 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 86 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 87 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 88 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 89 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 90 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 91 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 92 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 93 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 94 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 95 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 96 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 97 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 98 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 99 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 100 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 101 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 102 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 103 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 104 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 105 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 106 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 111 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 112 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 113 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 118 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 119 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 120 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 121 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 122 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 123 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 124 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 125 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 126 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 127 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 132 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 133 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 134 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 135 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 136 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 137 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 138 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 139 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 140 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 141 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 146 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 147 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 148 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 149 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 150 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 151 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 152 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 153 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 154 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 155 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 156 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 157 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 158 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 159 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 160 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 161 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 162 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 163 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 168 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 169 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 170 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 171 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 172 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 173 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 174 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 175 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 176 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 177 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 178 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 183 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 184 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 185 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 190 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 191 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 192 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 193 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 194 N N ASP A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 195 C CA ASP A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 196 C C ASP A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 197 O O ASP A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 198 C CB ASP A 27 4.692 -18.635 20.780 1.00 0.00 +ATOM 199 C CG ASP A 27 3.906 -18.652 19.506 1.00 0.00 +ATOM 200 O OD1 ASP A 27 4.104 -17.819 18.624 1.00 0.00 +ATOM 201 O OD2 ASP A 27 2.652 -19.382 19.453 1.00 0.00 +ATOM 202 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 207 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 208 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 209 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 210 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 211 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 212 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 213 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 214 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 219 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 220 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 221 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 222 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 223 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 224 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 225 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 226 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 227 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 228 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 229 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 230 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 235 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 236 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 237 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 242 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 243 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 244 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 245 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 246 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 247 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 248 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 249 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 254 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 255 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 256 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 257 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 258 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 259 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 260 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 265 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 266 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 267 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 268 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 269 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 270 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 271 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 272 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 273 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 274 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 275 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 276 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 277 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 278 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 279 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 280 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 281 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 282 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 283 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 284 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 285 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 286 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 287 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 288 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 289 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 290 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 291 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 292 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 293 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 294 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 295 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 296 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 297 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 298 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 299 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 300 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 301 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 302 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 303 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 304 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 305 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 306 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 307 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 308 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 309 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 310 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 311 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 312 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 313 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 314 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 315 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 316 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 317 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 318 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 319 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 320 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 321 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 322 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 323 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 324 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 325 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 326 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 327 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 328 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 329 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 330 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 331 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 332 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 333 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 334 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 335 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 336 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 337 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 338 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 339 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 340 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 341 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 342 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 343 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 344 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 345 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 346 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 347 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 348 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 349 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 350 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 351 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 352 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 353 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 354 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 355 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 356 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 357 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 358 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 359 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 360 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 361 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 362 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 363 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 364 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 365 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 366 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 367 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 368 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 369 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 370 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 371 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 372 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 373 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 374 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 375 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 376 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 377 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 378 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 379 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 380 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 381 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 382 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 383 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 384 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 385 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 386 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 387 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 388 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 389 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 390 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 391 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 392 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 393 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 394 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 395 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 396 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 397 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 398 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 399 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 400 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 401 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 402 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 403 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 404 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 405 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 406 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 407 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 408 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 409 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 410 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 411 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 412 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 413 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 414 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 415 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 416 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 417 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 418 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 419 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 420 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 421 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 422 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 423 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 424 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 425 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 426 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 427 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 428 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 429 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 430 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 431 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 432 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 433 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 434 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 435 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 436 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 437 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 438 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 439 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 440 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 441 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 442 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 443 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 444 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 445 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 446 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 447 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 448 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 449 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 450 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 451 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 452 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 453 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 454 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 455 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 456 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 457 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 458 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 459 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 460 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 461 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 462 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 463 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 464 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 465 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 466 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 467 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 468 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 469 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 470 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 471 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 472 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 473 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 474 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 475 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 476 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 477 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 478 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 479 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 480 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 481 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 482 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 483 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 484 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 485 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 486 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 487 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 488 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 489 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 490 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 491 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 492 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 493 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 494 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 495 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 496 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 497 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 498 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 499 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 500 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 501 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 502 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 503 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 504 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 505 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 506 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 507 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 508 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 509 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 510 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 511 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 512 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 513 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 514 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 515 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 516 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 517 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 518 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 519 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 520 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 521 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 522 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 523 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 524 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 525 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 526 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 527 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 528 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 529 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 530 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 531 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 532 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 533 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 534 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 535 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 536 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 537 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 538 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 539 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 540 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 541 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 542 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 543 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 544 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 545 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 546 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 547 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 548 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 549 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 550 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 551 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 552 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 553 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 554 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 555 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 556 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 557 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo50_s20.cif b/soup/screen/mmcifs/denovo50_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..bce65e33b4e1435f644727ceb6e2a9552a2d7aa1 --- /dev/null +++ b/soup/screen/mmcifs/denovo50_s20.cif @@ -0,0 +1,575 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 14 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 15 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 16 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 17 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 18 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 27 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 32 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 33 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 38 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 39 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 40 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 41 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 42 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 43 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 44 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 45 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 46 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 47 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 48 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 49 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 50 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 51 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 52 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 53 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 54 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 55 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 56 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 57 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 58 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 59 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 60 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 61 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 62 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 63 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 64 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 65 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 66 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 67 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 68 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 69 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 70 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 71 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 72 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 73 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 74 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 75 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 76 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 77 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 78 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 79 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 80 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 81 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 82 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 83 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 84 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 85 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 86 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 87 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 88 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 89 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 90 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 91 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 92 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 93 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 94 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 95 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 96 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 97 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 98 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 99 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 100 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 101 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 102 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 103 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 104 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 105 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 106 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 107 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 108 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 109 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 110 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 111 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 112 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 113 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 114 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 115 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 116 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 117 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 118 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 119 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 120 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 121 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 122 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 123 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 124 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 125 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 126 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 127 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 128 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 129 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 130 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 131 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 132 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 133 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 134 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 135 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 136 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 137 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 138 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 139 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 140 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 141 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 142 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 143 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 144 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 145 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 146 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 147 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 148 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 149 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 150 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 151 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 152 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 153 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 154 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 155 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 156 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 157 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 158 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 159 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 160 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 161 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 162 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 163 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 164 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 165 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 166 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 167 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 168 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 169 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 170 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 171 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 172 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 173 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 174 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 175 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 176 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 177 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 178 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 179 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 180 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 181 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 182 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 183 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 184 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 185 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 186 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 187 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 188 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 189 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 190 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 191 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 192 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 193 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 194 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 195 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 196 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 197 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 198 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 199 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 200 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 201 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 202 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 203 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 204 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 205 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 206 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 207 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 208 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 209 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 210 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 211 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 212 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 213 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 214 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 215 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 216 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 217 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 218 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 219 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 220 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 221 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 222 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 223 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 224 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 225 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 226 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 227 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 228 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 229 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 230 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 231 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 232 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 233 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 234 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 235 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 236 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 237 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 238 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 239 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 240 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 241 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 242 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 243 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 244 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 245 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 246 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 247 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 248 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 249 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 250 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 251 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 252 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 253 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 254 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 255 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 256 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 257 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 258 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 259 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 260 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 261 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 262 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 263 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 264 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 265 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 266 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 267 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 268 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 269 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 270 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 271 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 272 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 273 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 274 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 275 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 276 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 277 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 278 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 279 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 280 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 281 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 282 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 283 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 284 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 285 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 286 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 287 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 288 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 289 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 290 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 291 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 292 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 293 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 294 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 295 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 296 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 297 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 298 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 299 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 300 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 301 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 302 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 303 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 304 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 305 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 306 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 307 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 308 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 309 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 310 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 311 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 312 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 313 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 314 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 315 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 316 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 317 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 318 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 319 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 320 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 321 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 322 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 323 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 324 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 325 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 326 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 327 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 328 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 329 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 330 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 331 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 332 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 333 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 334 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 335 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 336 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 337 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 338 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 339 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 340 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 341 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 342 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 343 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 344 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 345 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 346 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 347 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 348 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 349 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 350 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 351 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 352 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 353 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 354 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 355 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 356 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 357 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 358 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 359 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 360 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 361 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 362 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 363 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 364 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 365 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 366 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 367 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 368 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 369 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 370 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 371 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 372 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 373 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 374 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 375 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 376 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 377 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 378 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 379 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 380 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 381 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 382 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 383 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 384 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 385 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 386 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 387 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 388 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 389 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 390 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 391 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 392 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 393 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 394 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 395 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 396 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 397 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 398 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 399 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 400 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 401 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 402 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 403 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 404 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 405 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 406 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 407 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 408 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 409 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 410 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 411 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 412 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 413 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 414 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 415 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 416 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 417 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 418 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 419 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 420 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 421 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 422 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 423 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 424 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 425 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 426 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 427 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 428 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 429 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 430 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 431 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 432 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 433 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 434 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 435 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 436 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 437 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 438 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 439 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 440 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 441 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 442 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 443 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 444 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 445 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 446 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 447 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 448 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 449 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 450 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 451 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 452 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 453 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 454 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 455 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 456 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 457 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 458 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 459 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 460 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 461 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 462 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 463 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 464 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 465 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 466 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 467 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 468 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 469 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 470 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 471 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 472 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 473 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 474 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 475 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 476 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 477 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 478 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 479 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 480 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 481 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 482 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 483 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 484 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 485 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 486 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 487 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 488 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 489 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 490 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 491 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 492 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 493 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 494 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 495 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 496 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 497 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 498 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 499 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 500 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 501 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 502 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 503 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 504 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 505 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 506 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 507 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 508 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 509 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 510 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 511 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 512 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 513 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 514 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 515 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 516 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 517 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 518 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 519 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 520 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 521 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 522 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 523 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 524 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 525 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 526 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 527 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 528 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 529 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 530 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 531 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 532 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 533 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 534 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 535 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 536 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 537 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 538 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 539 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 540 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 541 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 542 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 543 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 544 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 545 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 546 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 547 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 548 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 549 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 550 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 551 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 552 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 553 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 554 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 555 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 556 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 557 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 558 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 559 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo51_s20.cif b/soup/screen/mmcifs/denovo51_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c55096d023f9d6f9722a6012e745f31ee7f7affe --- /dev/null +++ b/soup/screen/mmcifs/denovo51_s20.cif @@ -0,0 +1,582 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 26 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 27 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 28 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 29 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 30 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 31 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 32 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 33 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 34 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 35 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 36 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 37 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 38 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 39 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 40 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 45 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 46 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 47 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 52 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 53 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 54 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 55 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 56 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 61 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 62 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 63 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 64 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 65 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 66 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 67 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 68 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 69 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 70 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 71 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 72 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 73 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 74 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 75 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 76 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 77 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 78 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 79 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 80 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 85 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 86 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 87 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 88 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 89 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 90 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 91 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 92 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 93 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 98 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 99 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 100 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 105 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 106 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 107 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 108 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 113 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 114 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 115 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 116 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 121 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 122 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 127 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 128 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 133 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 134 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 135 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 136 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 137 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 138 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 139 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 140 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 141 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 142 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 143 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 144 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 145 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 146 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 147 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 148 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 149 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 150 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 151 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 152 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 153 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 154 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 155 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 156 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 157 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 162 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 163 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 164 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 165 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 166 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 167 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 168 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 169 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 170 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 171 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 172 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 173 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 174 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 175 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 176 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 177 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 178 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 179 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 180 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 181 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 182 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 183 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 184 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 185 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 186 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 187 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 188 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 189 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 190 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 191 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 196 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 197 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 198 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 199 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 200 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 201 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 202 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 207 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 208 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 209 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 214 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 215 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 216 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 217 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 218 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 219 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 220 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 221 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 222 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 223 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 224 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 225 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 226 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 227 N N ALA A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 228 C CA ALA A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 229 C C ALA A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 230 O O ALA A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 231 C CB ALA A 32 -6.196 -22.740 21.010 1.00 0.00 +ATOM 232 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 237 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 238 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 239 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 240 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 241 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 242 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 243 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 244 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 245 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 246 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 247 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 248 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 249 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 254 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 255 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 256 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 257 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 258 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 259 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 260 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 261 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 262 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 263 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 264 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 265 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 266 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 267 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 268 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 269 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 270 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 271 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 272 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 273 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 274 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 275 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 276 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 277 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 278 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 279 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 280 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 281 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 282 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 283 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 284 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 285 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 286 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 287 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 288 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 289 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 290 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 291 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 292 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 293 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 294 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 295 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 296 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 297 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 298 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 299 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 300 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 301 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 302 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 303 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 304 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 305 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 306 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 307 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 308 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 309 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 310 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 311 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 312 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 313 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 314 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 315 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 316 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 317 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 318 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 319 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 320 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 321 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 322 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 323 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 324 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 325 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 326 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 327 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 328 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 329 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 330 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 331 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 332 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 333 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 334 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 335 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 336 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 337 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 338 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 339 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 340 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 341 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 342 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 343 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 344 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 345 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 346 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 347 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 348 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 349 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 350 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 351 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 352 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 353 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 354 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 355 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 356 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 357 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 358 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 359 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 360 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 361 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 362 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 363 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 364 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 365 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 366 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 367 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 368 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 369 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 370 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 371 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 372 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 373 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 374 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 375 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 376 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 377 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 378 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 379 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 380 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 381 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 382 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 383 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 384 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 385 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 386 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 387 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 388 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 389 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 390 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 391 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 392 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 393 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 394 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 395 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 396 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 397 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 398 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 399 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 400 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 401 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 402 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 403 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 404 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 405 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 406 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 407 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 412 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 413 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 414 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 415 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 416 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 417 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 418 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 419 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 420 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 421 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 422 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 423 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 424 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 425 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 426 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 427 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 428 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 429 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 430 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 431 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 432 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 433 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 434 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 435 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 436 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 437 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 438 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 439 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 440 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 441 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 442 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 443 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 444 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 445 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 446 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 447 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 448 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 449 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 450 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 451 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 452 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 453 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 454 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 455 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 456 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 457 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 458 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 459 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 460 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 461 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 462 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 463 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 464 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 465 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 466 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 467 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 468 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 469 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 470 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 471 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 472 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 473 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 474 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 475 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 476 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 477 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 478 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 479 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 480 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 481 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 482 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 483 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 484 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 485 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 486 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 487 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 488 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 489 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 490 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 491 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 492 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 493 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 494 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 495 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 496 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 497 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 498 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 499 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 500 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 501 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 502 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 503 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 504 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 505 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 506 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 507 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 508 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 509 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 510 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 511 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 512 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 513 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 514 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 515 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 516 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 517 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 518 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 519 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 520 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 521 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 522 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 523 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 524 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 525 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 526 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 527 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 528 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 529 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 530 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 531 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 532 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 533 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 534 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 535 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 536 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 537 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 538 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 539 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 540 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 541 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 542 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 543 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 544 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 545 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 546 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 547 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 548 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 549 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 550 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 551 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 552 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 553 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 554 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 555 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 556 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 557 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 558 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 559 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 560 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 561 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 562 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 563 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 564 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 565 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 566 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo52_s20.cif b/soup/screen/mmcifs/denovo52_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..fefd608bb73426a815d22c376217124dca8f69af --- /dev/null +++ b/soup/screen/mmcifs/denovo52_s20.cif @@ -0,0 +1,594 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 17 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 18 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 19 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 20 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 21 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 22 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 23 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 28 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 29 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 30 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 31 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 32 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 33 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 34 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 35 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 36 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 37 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 42 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 43 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 44 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 49 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 50 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 51 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 56 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 57 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 62 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 63 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 64 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 69 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 70 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 71 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 72 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 73 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 74 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 75 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 84 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 85 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 86 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 87 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 88 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 89 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 90 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 91 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 92 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 93 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 98 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 103 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 104 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 105 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 106 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 107 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 108 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 109 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 110 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 111 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 112 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 113 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 114 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 115 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 120 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 121 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 126 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 127 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 128 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 129 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 130 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 139 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 140 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 141 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 142 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 143 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 148 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 149 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 150 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 151 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 152 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 153 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 154 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 155 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 156 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 157 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 158 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 159 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 160 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 161 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 162 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 171 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 172 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 173 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 174 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 175 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 176 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 177 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 178 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 179 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 180 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 181 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 182 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 183 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 184 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 185 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 190 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 191 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 192 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 193 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 194 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 195 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 196 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 197 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 198 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 199 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 200 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 201 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 202 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 203 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 204 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 205 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 206 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 207 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 208 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 209 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 210 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 211 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 212 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 213 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 214 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 215 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 216 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 217 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 222 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 223 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 224 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 225 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 226 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 227 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 228 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 229 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 230 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 231 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 232 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 233 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 234 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 235 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 236 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 237 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 238 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 239 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 240 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 241 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 242 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 243 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 244 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 245 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 246 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 247 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 248 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 249 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 250 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 251 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 252 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 253 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 254 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 255 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 256 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 257 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 258 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 259 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 260 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 261 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 262 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 263 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 264 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 265 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 266 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 267 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 268 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 269 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 270 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 271 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 272 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 273 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 274 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 275 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 276 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 277 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 278 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 279 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 280 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 281 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 282 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 283 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 284 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 285 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 286 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 287 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 288 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 289 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 290 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 291 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 292 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 293 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 294 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 295 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 296 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 297 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 298 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 299 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 300 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 301 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 302 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 303 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 304 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 305 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 310 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 311 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 312 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 317 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 318 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 319 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 320 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 321 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 322 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 323 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 324 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 325 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 326 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 327 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 328 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 329 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 330 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 331 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 332 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 333 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 334 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 335 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 336 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 337 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 338 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 339 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 340 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 341 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 342 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 347 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 348 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 349 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 350 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 351 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 352 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 353 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 354 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 355 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 356 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 357 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 358 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 359 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 360 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 361 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 362 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 363 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 364 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 365 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 366 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 367 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 368 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 369 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 370 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 371 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 372 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 373 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 374 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 375 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 376 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 377 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 378 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 379 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 384 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 385 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 386 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 387 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 388 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 389 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 390 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 391 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 392 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 393 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 394 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 399 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 400 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 401 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 402 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 403 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 404 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 405 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 406 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 407 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 408 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 409 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 410 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 411 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 412 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 413 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 414 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 415 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 416 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 417 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 418 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 419 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 420 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 421 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 422 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 423 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 424 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 425 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 426 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 427 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 428 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 429 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 430 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 435 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 440 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 441 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 442 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 447 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 448 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 449 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 450 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 451 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 452 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 453 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 454 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 455 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 456 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 457 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 458 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 459 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 460 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 461 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 462 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 463 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 464 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 465 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 466 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 467 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 468 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 469 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 470 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 471 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 472 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 473 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 474 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 475 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 476 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 477 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 478 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 479 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 480 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 481 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 482 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 483 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 484 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 485 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 486 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 487 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 488 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 489 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 490 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 491 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 492 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 493 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 494 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 495 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 496 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 497 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 498 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 499 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 500 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 501 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 502 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 503 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 504 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 505 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 506 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 507 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 508 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 509 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 510 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 511 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 512 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 513 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 514 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 515 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 516 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 517 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 518 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 519 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 520 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 521 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 522 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 523 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 524 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 525 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 526 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 527 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 528 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 529 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 530 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 531 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 532 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 533 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 534 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 535 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 536 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 545 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 546 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 547 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 548 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 549 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 550 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 551 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 552 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 553 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 554 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 555 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 556 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 557 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 558 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 559 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 560 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 561 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 562 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 563 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 564 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 565 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 566 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 567 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 568 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 569 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 570 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 571 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 572 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 573 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 574 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 578 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo53_s20.cif b/soup/screen/mmcifs/denovo53_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..aeb36aaf817c82c4af9829b25c875ee5ceb7dded --- /dev/null +++ b/soup/screen/mmcifs/denovo53_s20.cif @@ -0,0 +1,612 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 13 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 14 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 15 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 20 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 25 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 26 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 27 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 28 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 29 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 30 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 31 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 32 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 33 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 34 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 35 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 36 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 37 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 38 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 39 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 40 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 41 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 42 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 43 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 44 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 45 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 46 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 47 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 48 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 49 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 50 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 51 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 52 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 53 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 54 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 55 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 56 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 57 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 58 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 59 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 60 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 61 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 62 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 63 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 64 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 65 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 66 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 67 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 68 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 69 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 70 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 71 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 72 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 73 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 74 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 75 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 76 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 77 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 78 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 79 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 80 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 81 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 82 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 83 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 84 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 85 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 86 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 87 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 88 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 89 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 90 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 91 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 92 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 93 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 94 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 95 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 96 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 97 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 98 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 99 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 100 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 101 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 102 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 103 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 104 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 105 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 106 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 107 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 108 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 109 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 110 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 111 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 112 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 113 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 114 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 115 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 116 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 117 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 118 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 119 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 120 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 121 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 122 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 123 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 124 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 125 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 126 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 127 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 128 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 129 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 130 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 131 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 132 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 133 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 134 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 135 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 136 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 137 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 138 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 139 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 140 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 141 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 142 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 143 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 144 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 145 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 146 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 147 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 148 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 149 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 150 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 151 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 152 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 153 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 154 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 155 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 156 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 157 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 158 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 159 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 160 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 161 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 162 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 163 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 164 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 165 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 170 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 171 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 172 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 173 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 174 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 175 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 176 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 177 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 178 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 179 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 180 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 181 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 182 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 183 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 184 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 185 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 186 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 187 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 188 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 193 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 194 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 195 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 196 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 197 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 198 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 199 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 200 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 201 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 202 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 203 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 204 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 205 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 206 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 207 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 208 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 209 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 210 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 211 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 212 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 213 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 214 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 215 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 216 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 217 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 218 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 219 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 220 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 221 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 222 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 223 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 224 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 225 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 226 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 227 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 228 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 229 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 230 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 231 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 232 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 233 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 234 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 235 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 236 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 237 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 238 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 239 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 240 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 241 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 242 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 243 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 244 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 245 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 246 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 247 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 248 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 249 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 250 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 251 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 252 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 253 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 254 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 255 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 256 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 257 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 258 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 259 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 260 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 261 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 262 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 263 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 264 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 265 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 266 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 267 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 268 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 269 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 270 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 271 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 272 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 273 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 274 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 275 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 276 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 277 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 278 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 279 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 280 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 281 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 282 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 283 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 284 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 285 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 286 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 287 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 288 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 289 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 290 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 291 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 292 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 293 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 294 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 295 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 296 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 297 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 298 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 299 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 300 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 301 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 302 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 303 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 304 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 305 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 306 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 307 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 308 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 309 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 310 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 311 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 312 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 313 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 314 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 315 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 316 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 317 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 318 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 319 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 320 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 321 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 322 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 323 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 324 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 325 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 326 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 327 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 328 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 329 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 330 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 331 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 332 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 333 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 334 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 335 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 336 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 337 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 338 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 339 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 340 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 341 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 342 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 343 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 344 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 345 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 346 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 347 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 348 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 349 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 350 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 351 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 352 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 353 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 354 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 355 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 356 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 357 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 358 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 359 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 360 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 361 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 362 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 363 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 364 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 365 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 366 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 367 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 368 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 369 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 370 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 371 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 372 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 373 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 374 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 375 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 376 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 377 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 378 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 379 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 380 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 381 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 382 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 383 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 384 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 385 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 386 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 387 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 388 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 389 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 390 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 391 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 392 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 393 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 394 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 395 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 396 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 397 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 398 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 399 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 400 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 401 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 402 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 403 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 404 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 405 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 406 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 407 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 408 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 409 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 410 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 411 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 412 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 413 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 414 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 415 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 416 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 417 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 418 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 419 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 420 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 421 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 422 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 423 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 424 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 425 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 426 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 427 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 428 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 429 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 430 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 431 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 432 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 433 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 434 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 435 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 436 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 437 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 438 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 439 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 440 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 441 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 442 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 443 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 444 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 445 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 446 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 447 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 448 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 449 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 450 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 451 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 452 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 453 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 454 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 455 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 456 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 457 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 458 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 459 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 460 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 461 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 462 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 463 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 464 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 465 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 466 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 467 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 468 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 469 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 470 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 471 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 472 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 473 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 474 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 475 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 476 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 477 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 478 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 479 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 480 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 481 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 482 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 483 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 484 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 485 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 486 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 487 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 488 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 489 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 490 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 491 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 492 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 493 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 494 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 495 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 496 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 497 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 498 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 499 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 500 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 501 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 502 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 503 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 504 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 505 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 506 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 507 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 508 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 509 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 510 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 511 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 512 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 513 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 514 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 515 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 516 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 517 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 518 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 519 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 520 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 521 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 522 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 523 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 524 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 525 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 526 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 527 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 528 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 529 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 530 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 531 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 532 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 533 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 534 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 535 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 536 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 537 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 538 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 539 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 540 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 541 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 542 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 543 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 544 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 545 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 546 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 547 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 548 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 549 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 550 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 551 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 552 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 553 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 554 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 555 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 556 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 557 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 558 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 559 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 560 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 561 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 562 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 563 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 564 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 565 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 566 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 567 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 568 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 569 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 570 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 571 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 572 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 573 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 574 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 575 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 576 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 577 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 578 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 579 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 580 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 581 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 582 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 583 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 584 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 585 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 586 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 587 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 588 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 589 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 590 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 591 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 592 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 593 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 594 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 595 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 596 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo54_s20.cif b/soup/screen/mmcifs/denovo54_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..4bd8bbbb6257d48b9cfa19d3afa8291a7859af8a --- /dev/null +++ b/soup/screen/mmcifs/denovo54_s20.cif @@ -0,0 +1,576 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 17 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 18 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 19 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 24 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 25 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 26 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 27 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 28 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 29 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 30 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 31 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 32 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 33 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 34 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 35 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 36 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 37 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 38 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 39 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 40 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 41 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 42 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 43 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 44 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 45 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 46 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 47 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 52 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 53 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 54 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 55 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 56 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 57 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 58 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 59 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 60 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 65 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 66 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 67 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 72 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 73 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 74 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 75 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 76 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 77 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 78 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 83 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 84 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 85 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 86 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 87 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 92 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 93 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 94 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 99 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 100 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 101 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 102 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 103 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 104 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 109 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 110 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 111 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 112 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 113 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 114 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 115 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 116 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 117 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 118 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 119 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 120 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 121 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 122 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 123 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 124 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 125 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 126 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 127 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 128 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 129 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 130 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 131 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 132 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 133 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 134 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 135 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 136 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 137 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 138 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 139 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 140 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 141 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 142 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 143 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 144 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 145 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 146 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 147 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 148 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 149 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 154 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 155 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 156 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 157 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 158 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 159 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 160 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 165 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 166 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 171 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 172 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 173 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 174 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 175 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 176 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 177 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 178 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 179 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 180 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 181 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 186 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 187 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 188 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 189 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 190 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 191 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 192 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 193 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 194 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 195 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 200 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 201 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 202 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 203 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 204 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 205 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 206 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 207 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 208 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 209 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 210 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 211 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 212 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 213 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 214 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 215 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 216 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 217 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 218 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 219 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 220 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 221 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 222 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 223 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 224 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 225 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 226 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 227 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 228 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 229 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 230 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 231 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 232 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 233 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 234 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 235 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 236 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 237 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 238 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 239 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 244 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 245 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 246 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 247 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 248 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 249 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 250 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 251 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 252 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 253 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 254 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 255 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 256 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 257 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 258 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 259 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 260 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 261 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 262 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 263 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 264 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 265 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 266 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 267 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 268 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 269 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 270 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 271 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 272 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 273 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 274 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 275 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 276 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 277 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 278 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 279 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 280 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 281 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 282 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 283 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 284 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 285 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 286 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 287 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 288 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 289 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 290 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 291 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 292 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 293 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 294 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 295 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 296 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 297 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 298 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 299 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 300 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 301 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 302 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 303 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 304 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 305 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 306 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 307 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 308 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 309 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 310 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 311 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 312 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 313 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 314 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 315 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 316 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 317 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 318 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 319 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 320 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 321 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 322 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 323 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 324 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 325 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 326 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 327 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 328 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 329 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 330 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 331 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 332 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 333 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 334 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 335 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 336 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 337 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 338 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 339 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 340 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 341 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 342 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 343 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 344 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 345 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 346 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 347 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 348 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 349 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 350 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 351 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 352 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 353 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 354 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 355 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 356 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 357 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 358 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 359 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 360 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 361 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 362 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 363 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 364 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 365 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 366 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 367 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 368 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 369 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 370 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 371 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 372 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 373 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 374 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 375 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 376 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 377 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 378 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 379 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 380 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 381 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 382 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 383 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 384 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 385 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 386 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 387 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 388 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 389 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 390 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 391 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 392 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 393 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 394 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 395 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 396 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 397 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 398 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 399 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 400 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 401 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 402 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 403 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 404 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 405 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 406 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 407 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 408 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 409 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 410 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 411 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 412 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 413 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 414 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 415 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 416 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 417 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 418 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 419 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 420 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 421 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 422 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 423 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 424 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 425 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 426 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 427 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 428 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 429 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 430 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 431 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 432 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 433 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 434 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 435 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 436 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 437 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 438 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 439 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 440 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 441 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 442 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 443 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 444 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 445 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 446 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 447 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 448 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 449 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 450 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 451 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 452 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 453 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 454 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 455 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 456 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 457 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 458 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 459 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 460 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 461 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 462 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 463 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 464 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 465 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 466 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 467 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 468 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 469 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 470 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 471 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 472 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 473 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 474 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 475 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 476 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 477 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 478 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 479 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 480 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 481 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 482 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 483 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 484 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 485 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 486 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 487 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 488 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 489 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 490 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 491 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 492 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 493 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 494 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 495 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 496 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 497 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 498 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 499 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 500 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 501 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 502 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 503 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 504 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 505 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 506 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 507 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 508 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 509 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 510 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 511 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 512 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 513 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 514 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 515 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 516 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 517 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 518 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 519 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 520 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 521 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 522 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 523 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 524 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 525 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 526 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 527 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 528 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 529 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 530 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 531 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 532 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 533 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 534 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 535 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 536 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 537 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 538 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 539 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 540 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 541 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 542 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 543 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 544 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 545 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 546 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 547 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 548 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 549 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 550 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 551 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 552 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 553 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 554 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 555 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 556 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 557 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 558 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 559 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 560 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo55_s20.cif b/soup/screen/mmcifs/denovo55_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..d2cbd4f86cb0414534dafcff3a8c57f5cb8dd663 --- /dev/null +++ b/soup/screen/mmcifs/denovo55_s20.cif @@ -0,0 +1,615 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 10 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 11 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 12 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 13 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 18 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 19 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 20 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 21 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 22 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 23 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 24 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 25 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 30 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 31 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 32 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 33 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 34 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 39 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 40 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 41 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 42 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 43 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 48 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 49 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 50 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 51 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 52 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 57 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 58 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 59 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 60 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 61 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 62 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 63 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 68 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 73 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 74 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 75 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 76 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 77 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 78 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 79 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 84 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 85 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 86 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 87 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 88 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 89 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 90 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 91 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 92 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 93 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 98 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 99 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 100 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 109 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 110 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 111 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 112 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 113 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 114 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 115 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 120 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 121 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 122 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 123 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 124 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 125 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 126 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 127 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 128 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 129 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 130 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 131 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 136 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 137 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 138 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 139 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 140 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 141 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 142 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 143 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 144 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 145 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 146 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 147 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 148 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 149 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 150 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 151 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 152 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 157 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 158 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 159 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 160 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 161 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 166 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 167 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 168 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 169 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 170 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 171 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 172 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 173 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 174 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 175 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 176 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 177 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 178 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 179 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 180 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 181 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 182 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 183 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 184 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 185 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 186 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 187 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 188 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 189 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 190 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 191 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 192 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 193 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 194 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 195 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 200 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 201 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 202 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 203 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 204 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 205 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 206 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 207 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 208 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 209 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 214 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 215 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 216 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 217 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 218 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 219 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 220 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 221 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 222 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 223 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 224 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 225 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 226 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 227 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 232 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 233 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 234 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 239 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 240 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 241 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 242 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 243 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 244 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 245 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 246 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 247 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 248 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 249 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 250 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 251 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 252 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 253 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 254 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 255 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 260 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 261 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 262 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 263 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 264 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 265 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 266 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 267 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 268 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 269 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 270 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 271 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 272 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 273 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 274 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 275 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 276 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 277 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 278 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 279 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 280 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 281 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 282 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 283 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 284 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 285 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 286 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 287 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 288 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 289 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 290 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 291 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 292 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 293 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 294 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 295 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 296 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 297 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 298 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 299 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 300 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 301 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 302 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 303 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 304 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 305 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 306 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 307 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 308 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 309 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 310 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 311 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 312 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 313 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 314 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 315 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 316 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 317 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 318 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 319 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 320 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 321 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 322 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 323 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 324 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 325 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 326 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 327 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 328 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 329 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 330 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 331 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 332 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 333 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 334 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 335 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 336 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 337 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 338 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 339 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 340 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 341 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 342 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 343 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 344 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 345 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 346 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 347 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 348 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 349 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 350 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 351 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 352 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 353 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 354 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 355 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 356 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 357 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 358 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 359 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 360 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 361 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 362 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 363 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 364 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 365 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 366 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 367 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 368 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 369 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 370 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 371 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 372 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 373 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 374 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 375 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 376 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 377 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 378 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 379 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 380 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 381 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 382 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 383 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 384 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 385 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 386 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 387 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 388 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 389 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 390 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 391 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 392 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 393 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 394 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 395 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 400 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 401 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 402 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 403 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 404 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 405 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 406 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 407 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 408 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 409 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 410 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 411 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 412 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 413 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 414 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 415 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 416 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 417 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 418 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 419 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 420 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 421 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 422 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 423 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 424 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 425 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 426 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 427 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 428 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 429 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 430 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 431 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 432 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 433 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 434 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 435 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 436 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 437 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 438 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 439 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 440 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 441 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 442 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 443 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 444 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 445 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 446 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 447 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 448 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 449 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 450 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 451 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 452 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 453 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 454 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 455 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 456 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 457 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 458 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 459 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 460 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 461 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 462 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 463 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 464 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 465 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 466 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 467 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 468 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 473 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 474 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 475 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 476 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 477 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 478 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 479 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 480 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 481 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 482 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 483 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 484 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 485 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 486 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 487 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 488 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 489 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 490 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 491 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 492 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 493 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 494 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 495 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 496 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 497 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 498 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 499 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 500 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 501 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 506 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 507 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 508 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 509 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 510 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 511 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 512 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 513 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 514 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 515 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 516 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 517 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 518 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 519 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 520 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 521 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 522 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 523 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 524 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 525 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 526 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 527 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 528 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 529 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 530 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 531 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 532 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 533 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 534 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 535 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 536 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 537 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 538 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 539 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 540 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 541 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 542 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 543 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 544 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 545 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 546 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 547 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 548 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 549 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 550 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 551 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 552 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 553 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 554 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 555 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 556 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 557 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 558 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 559 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 560 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 561 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 562 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 563 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 564 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 565 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 566 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 567 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 568 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 569 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 570 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 571 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 572 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 573 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 574 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 575 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 576 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 577 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 578 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 579 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 584 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 585 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 586 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 587 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 588 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 589 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 590 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 591 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 592 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 593 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 594 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 595 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 596 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 597 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 598 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 599 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo56_s20.cif b/soup/screen/mmcifs/denovo56_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b1e1dc318fe2cd995b6bdf29744b1842c3ab349c --- /dev/null +++ b/soup/screen/mmcifs/denovo56_s20.cif @@ -0,0 +1,591 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 11 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 12 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 13 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 18 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 19 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 20 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 21 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 22 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 23 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 24 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 29 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 30 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 35 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 36 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 41 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 42 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 43 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 44 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 49 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 50 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 51 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 56 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 61 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 62 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 63 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 68 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 69 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 70 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 75 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 80 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 81 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 82 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 83 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 84 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 89 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 90 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 91 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 92 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 93 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 94 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 95 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 100 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 101 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 102 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 103 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 104 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 105 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 106 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 107 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 108 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 113 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 114 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 115 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 116 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 117 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 118 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 119 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 120 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 121 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 122 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 123 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 124 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 125 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 126 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 127 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 128 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 129 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 130 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 131 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 136 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 137 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 138 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 139 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 140 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 141 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 142 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 143 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 144 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 145 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 150 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 151 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 156 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 157 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 162 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 163 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 164 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 165 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 166 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 167 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 168 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 169 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 170 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 171 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 172 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 173 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 174 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 175 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 176 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 177 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 178 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 179 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 180 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 181 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 186 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 187 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 188 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 193 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 194 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 195 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 196 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 197 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 198 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 199 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 200 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 201 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 202 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 203 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 204 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 205 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 206 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 207 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 208 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 209 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 210 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 211 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 212 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 213 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 214 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 215 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 216 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 217 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 218 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 219 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 220 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 221 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 222 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 223 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 224 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 225 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 226 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 227 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 228 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 229 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 230 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 231 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 232 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 233 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 234 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 235 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 236 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 237 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 238 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 239 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 240 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 241 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 242 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 243 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 244 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 245 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 246 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 247 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 248 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 249 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 250 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 251 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 252 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 253 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 254 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 255 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 256 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 257 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 258 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 259 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 260 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 261 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 262 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 263 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 264 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 265 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 266 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 267 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 268 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 269 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 270 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 271 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 272 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 273 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 274 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 275 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 276 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 277 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 278 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 279 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 284 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 285 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 290 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 291 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 292 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 293 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 294 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 295 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 296 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 297 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 298 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 299 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 300 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 301 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 302 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 303 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 304 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 305 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 310 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 311 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 312 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 313 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 314 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 315 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 316 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 317 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 318 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 319 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 320 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 321 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 322 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 323 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 324 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 325 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 326 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 327 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 328 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 329 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 330 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 331 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 332 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 333 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 334 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 335 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 336 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 337 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 338 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 339 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 340 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 341 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 342 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 343 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 344 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 345 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 346 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 347 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 348 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 349 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 350 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 351 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 352 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 353 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 354 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 355 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 356 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 357 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 358 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 359 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 360 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 361 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 362 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 363 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 364 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 365 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 366 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 367 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 368 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 369 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 370 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 371 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 372 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 373 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 374 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 375 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 376 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 377 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 378 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 379 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 380 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 381 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 382 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 383 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 384 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 385 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 386 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 387 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 388 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 389 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 390 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 391 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 392 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 393 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 394 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 395 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 396 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 397 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 398 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 399 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 400 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 401 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 402 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 403 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 404 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 405 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 406 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 407 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 408 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 409 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 410 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 411 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 412 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 413 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 414 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 415 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 416 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 417 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 418 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 419 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 420 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 421 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 422 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 423 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 424 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 425 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 426 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 427 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 428 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 429 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 430 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 431 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 432 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 433 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 434 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 435 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 436 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 437 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 438 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 439 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 440 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 441 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 442 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 443 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 444 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 445 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 446 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 447 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 448 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 449 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 454 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 455 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 456 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 457 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 458 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 459 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 460 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 461 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 462 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 463 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 464 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 465 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 466 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 467 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 468 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 469 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 470 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 471 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 472 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 473 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 474 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 475 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 476 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 477 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 478 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 479 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 480 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 481 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 482 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 483 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 484 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 485 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 486 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 487 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 488 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 489 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 490 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 491 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 492 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 493 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 494 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 495 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 496 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 497 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 498 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 499 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 500 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 501 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 502 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 503 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 504 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 509 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 510 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 511 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 512 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 513 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 514 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 515 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 516 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 517 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 518 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 519 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 520 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 521 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 522 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 523 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 524 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 525 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 526 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 527 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 528 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 529 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 530 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 531 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 532 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 533 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 534 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 535 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 536 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 537 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 538 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 539 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 540 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 541 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 542 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 543 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 544 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 545 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 546 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 547 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 548 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 549 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 550 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 551 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 552 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 553 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 554 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 555 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 556 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 557 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 558 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 559 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 560 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 561 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 562 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 563 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 564 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 565 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 566 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 567 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 568 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 569 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 570 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 571 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 572 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 573 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 574 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 575 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo57_s20.cif b/soup/screen/mmcifs/denovo57_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..88d398876fda6f37224df123d33587ad594dbe2f --- /dev/null +++ b/soup/screen/mmcifs/denovo57_s20.cif @@ -0,0 +1,639 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 15 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 16 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 17 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 22 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 23 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 24 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 29 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 30 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 31 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 32 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 33 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 38 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 39 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 40 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 41 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 42 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 43 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 44 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 45 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 46 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 47 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 48 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 53 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 54 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 55 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 56 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 57 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 62 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 63 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 64 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 65 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 66 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 67 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 68 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 69 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 70 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 71 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 72 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 73 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 74 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 75 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 76 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 77 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 78 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 79 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 80 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 85 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 86 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 87 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 88 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 89 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 90 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 91 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 92 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 93 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 94 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 95 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 96 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 97 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 98 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 99 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 100 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 105 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 106 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 111 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 112 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 113 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 114 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 115 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 116 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 117 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 118 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 119 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 120 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 121 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 122 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 123 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 124 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 125 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 130 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 131 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 132 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 133 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 134 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 135 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 136 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 137 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 138 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 139 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 140 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 141 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 146 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 147 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 148 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 149 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 150 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 151 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 152 N N PRO A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 153 C CA PRO A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 154 C C PRO A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 155 O O PRO A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 156 C CB PRO A 20 15.876 -5.530 13.618 1.00 0.00 +ATOM 157 C CG PRO A 20 16.206 -4.075 13.209 1.00 0.00 +ATOM 158 C CD PRO A 20 15.813 -3.164 14.377 1.00 0.00 +ATOM 159 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 160 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 161 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 162 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 163 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 164 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 165 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 166 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 167 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 168 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 169 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 170 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 171 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 172 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 173 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 174 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 175 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 176 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 177 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 178 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 179 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 180 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 181 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 182 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 183 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 184 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 185 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 186 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 187 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 188 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 189 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 190 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 191 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 192 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 193 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 194 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 195 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 196 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 197 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 198 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 199 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 200 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 201 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 202 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 203 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 204 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 205 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 206 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 207 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 208 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 209 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 210 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 211 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 212 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 213 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 214 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 215 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 216 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 217 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 218 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 219 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 220 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 221 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 222 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 223 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 224 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 225 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 226 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 227 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 228 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 229 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 230 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 231 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 232 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 233 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 234 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 235 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 236 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 237 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 238 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 239 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 240 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 241 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 242 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 243 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 244 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 245 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 246 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 247 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 248 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 249 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 250 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 251 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 252 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 253 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 254 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 255 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 256 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 257 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 258 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 259 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 260 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 261 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 262 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 263 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 264 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 265 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 266 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 267 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 268 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 269 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 270 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 271 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 272 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 273 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 274 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 275 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 276 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 277 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 278 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 279 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 280 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 281 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 282 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 283 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 284 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 285 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 286 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 287 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 288 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 289 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 290 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 291 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 292 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 293 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 294 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 295 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 296 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 297 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 298 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 299 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 300 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 301 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 302 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 303 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 304 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 305 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 306 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 307 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 308 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 309 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 310 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 311 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 312 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 313 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 314 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 315 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 316 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 317 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 318 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 319 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 320 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 321 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 322 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 323 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 324 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 325 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 326 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 327 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 328 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 329 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 330 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 331 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 332 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 333 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 334 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 335 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 336 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 337 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 338 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 339 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 340 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 341 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 342 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 343 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 344 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 345 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 346 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 347 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 348 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 349 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 350 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 351 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 352 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 353 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 354 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 355 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 356 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 357 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 358 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 359 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 360 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 361 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 362 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 363 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 364 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 365 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 366 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 367 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 368 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 369 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 370 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 371 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 372 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 373 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 374 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 375 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 376 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 377 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 378 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 379 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 380 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 381 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 382 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 383 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 384 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 385 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 386 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 387 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 388 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 389 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 390 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 391 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 392 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 393 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 394 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 395 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 396 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 397 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 398 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 399 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 400 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 401 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 402 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 403 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 404 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 405 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 406 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 407 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 408 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 409 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 410 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 411 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 412 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 413 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 414 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 415 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 416 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 417 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 418 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 419 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 420 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 421 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 422 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 423 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 424 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 425 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 426 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 427 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 428 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 429 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 430 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 431 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 432 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 433 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 434 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 435 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 436 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 437 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 438 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 439 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 440 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 441 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 442 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 443 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 444 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 445 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 446 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 447 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 448 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 449 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 450 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 451 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 452 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 453 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 454 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 455 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 456 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 457 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 458 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 459 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 460 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 461 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 462 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 463 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 464 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 465 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 466 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 467 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 468 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 469 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 470 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 471 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 472 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 473 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 474 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 475 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 476 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 477 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 478 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 479 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 480 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 481 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 482 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 483 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 484 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 485 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 486 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 487 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 488 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 489 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 490 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 491 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 492 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 493 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 494 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 495 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 496 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 497 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 498 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 499 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 500 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 501 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 502 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 503 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 504 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 505 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 506 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 507 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 508 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 509 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 510 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 511 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 512 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 513 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 514 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 515 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 516 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 517 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 518 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 519 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 520 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 521 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 522 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 523 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 524 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 525 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 526 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 527 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 528 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 529 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 530 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 531 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 532 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 533 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 534 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 535 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 536 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 537 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 538 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 539 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 540 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 541 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 542 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 543 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 544 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 545 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 546 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 547 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 548 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 549 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 550 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 551 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 552 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 553 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 554 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 555 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 556 N N VAL A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 557 C CA VAL A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 558 C C VAL A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 559 O O VAL A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 560 C CB VAL A 73 -30.711 6.822 21.461 1.00 0.00 +ATOM 561 C CG2 VAL A 73 -31.154 8.299 21.610 1.00 0.00 +ATOM 562 C CG1 VAL A 73 -31.853 6.009 20.819 1.00 0.00 +ATOM 563 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 564 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 565 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 566 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 567 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 568 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 569 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 570 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 571 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 572 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 573 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 574 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 575 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 576 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 577 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 578 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 579 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 580 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 581 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 582 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 583 N N ASP A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 584 C CA ASP A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 585 C C ASP A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 586 O O ASP A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 587 C CB ASP A 76 -27.932 9.257 11.590 1.00 0.00 +ATOM 588 C CG ASP A 76 -28.734 9.743 12.758 1.00 0.00 +ATOM 589 O OD1 ASP A 76 -29.041 8.989 13.678 1.00 0.00 +ATOM 590 O OD2 ASP A 76 -29.488 10.978 12.637 1.00 0.00 +ATOM 591 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 592 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 593 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 594 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 595 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 596 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 597 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 598 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 599 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 600 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 601 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 602 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 603 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 604 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 605 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 606 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 607 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 608 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 609 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 610 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 611 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 612 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 613 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 614 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 615 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 616 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 617 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 618 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 619 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 620 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 621 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 622 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 623 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo58_s20.cif b/soup/screen/mmcifs/denovo58_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..7bfe9458f5614c493cbefdd5ac0746bc16e96537 --- /dev/null +++ b/soup/screen/mmcifs/denovo58_s20.cif @@ -0,0 +1,579 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 17 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 18 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 19 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 20 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 21 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 22 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 23 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 24 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 25 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 26 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 31 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 32 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 33 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 38 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 39 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 40 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 41 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 42 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 43 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 44 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 45 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 46 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 47 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 48 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 49 N N THR A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA THR A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C THR A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O THR A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB THR A 7 -1.518 5.307 -2.636 1.00 0.00 +ATOM 54 O OG1 THR A 7 -2.567 5.458 -3.610 1.00 0.00 +ATOM 55 C CG2 THR A 7 -2.114 4.731 -1.335 1.00 0.00 +ATOM 56 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 61 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 66 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 67 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 72 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 73 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 74 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 75 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 76 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 77 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 78 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 79 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 80 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 81 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 82 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 83 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 84 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 85 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 86 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 87 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 88 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 89 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 90 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 91 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 92 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 93 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 94 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 95 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 96 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 97 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 98 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 99 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 100 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 101 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 106 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 107 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 108 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 109 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 110 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 111 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 112 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 113 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 118 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 119 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 120 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 125 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 126 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 127 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 128 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 129 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 130 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 131 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 132 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 133 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 134 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 135 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 136 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 137 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 138 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 139 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 140 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 141 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 142 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 143 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 144 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 145 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 146 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 147 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 148 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 149 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 150 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 151 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 152 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 157 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 158 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 159 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 164 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 165 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 166 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 171 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 172 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 173 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 174 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 175 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 176 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 177 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 178 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 179 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 184 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 185 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 186 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 187 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 188 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 189 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 190 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 191 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 192 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 193 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 194 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 195 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 196 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 197 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 198 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 199 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 200 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 201 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 206 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 207 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 208 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 209 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 210 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 211 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 212 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 213 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 214 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 215 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 216 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 217 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 218 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 219 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 220 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 221 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 222 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 223 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 224 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 225 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 230 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 231 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 232 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 233 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 234 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 235 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 236 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 237 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 238 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 239 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 240 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 245 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 246 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 247 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 248 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 249 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 250 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 251 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 252 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 253 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 254 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 255 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 256 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 257 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 258 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 259 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 260 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 261 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 262 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 263 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 264 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 265 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 266 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 267 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 268 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 269 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 270 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 275 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 276 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 277 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 278 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 279 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 284 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 285 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 286 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 291 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 292 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 293 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 294 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 295 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 296 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 297 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 298 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 299 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 300 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 301 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 302 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 303 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 304 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 305 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 306 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 307 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 308 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 309 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 310 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 311 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 312 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 313 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 314 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 315 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 316 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 317 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 318 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 319 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 320 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 321 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 326 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 327 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 328 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 329 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 330 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 335 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 336 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 337 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 342 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 343 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 344 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 345 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 346 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 347 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 348 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 349 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 350 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 351 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 352 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 353 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 354 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 355 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 356 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 357 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 358 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 359 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 360 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 361 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 362 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 363 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 364 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 365 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 366 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 367 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 368 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 369 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 370 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 371 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 372 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 373 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 374 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 375 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 376 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 377 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 378 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 379 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 380 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 381 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 382 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 383 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 384 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 385 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 386 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 387 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 388 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 389 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 390 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 391 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 392 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 393 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 394 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 395 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 396 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 397 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 398 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 399 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 400 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 401 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 402 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 407 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 408 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 409 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 410 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 411 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 412 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 413 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 414 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 415 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 416 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 417 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 418 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 419 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 420 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 421 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 422 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 423 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 424 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 425 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 426 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 427 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 428 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 429 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 430 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 431 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 432 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 433 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 434 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 435 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 440 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 441 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 442 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 443 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 444 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 445 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 446 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 447 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 448 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 449 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 450 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 451 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 452 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 453 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 454 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 455 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 456 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 457 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 458 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 459 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 460 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 461 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 462 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 463 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 464 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 465 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 466 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 467 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 468 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 469 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 470 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 471 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 472 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 473 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 474 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 475 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 476 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 477 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 478 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 479 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 480 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 481 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 482 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 483 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 484 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 485 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 486 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 487 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 488 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 489 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 490 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 491 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 492 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 493 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 494 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 495 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 496 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 497 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 498 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 499 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 500 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 501 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 502 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 503 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 504 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 505 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 506 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 507 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 508 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 509 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 510 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 511 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 512 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 513 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 514 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 515 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 516 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 517 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 518 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 519 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 520 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 521 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 522 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 523 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 524 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 525 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 526 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 527 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 528 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 529 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 530 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 531 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 532 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 533 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 534 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 535 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 536 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 537 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 538 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 539 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 540 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 541 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 542 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 543 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 544 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 545 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 546 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 547 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 548 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 549 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 550 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 551 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 552 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 553 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 554 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 555 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 556 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 557 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 558 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 559 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 560 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 561 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 562 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 563 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo59_s20.cif b/soup/screen/mmcifs/denovo59_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..1fe627362aa34ac7166df2b90b59d3a8ea682f51 --- /dev/null +++ b/soup/screen/mmcifs/denovo59_s20.cif @@ -0,0 +1,588 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 17 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 18 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 19 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 20 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 21 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 26 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 27 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 28 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 33 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 34 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 39 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 40 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 41 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 42 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 43 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 48 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 49 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 50 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 55 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 56 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 57 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 62 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 63 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 64 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 65 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 66 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 71 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 72 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 73 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 74 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 75 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 76 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 77 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 78 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 79 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 80 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 81 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 82 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 83 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 84 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 85 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 90 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 91 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 92 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 93 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 94 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 95 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 96 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 97 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 98 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 99 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 100 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 101 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 102 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 103 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 104 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 105 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 106 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 107 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 108 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 109 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 110 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 111 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 112 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 117 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 118 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 119 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 120 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 121 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 122 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 123 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 124 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 125 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 126 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 127 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 128 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 129 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 130 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 131 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 132 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 133 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 134 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 135 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 136 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 137 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 138 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 139 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 140 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 141 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 146 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 147 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 148 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 149 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 150 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 151 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 152 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 157 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 158 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 159 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 160 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 161 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 166 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 167 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 176 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 177 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 178 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 183 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 184 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 185 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 190 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 191 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 192 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 193 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 198 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 199 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 200 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 201 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 202 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 203 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 204 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 205 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 206 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 211 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 212 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 213 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 218 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 219 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 220 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 221 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 222 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 223 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 224 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 225 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 226 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 227 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 228 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 229 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 230 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 231 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 232 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 233 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 234 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 235 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 236 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 237 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 238 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 239 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 240 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 241 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 242 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 243 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 244 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 245 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 246 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 247 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 248 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 249 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 250 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 251 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 252 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 253 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 254 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 255 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 256 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 257 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 258 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 259 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 260 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 269 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 270 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 271 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 272 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 273 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 274 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 275 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 276 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 277 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 282 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 283 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 288 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 289 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 290 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 291 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 292 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 293 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 294 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 295 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 296 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 297 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 298 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 299 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 300 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 301 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 302 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 303 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 304 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 305 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 306 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 307 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 308 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 309 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 310 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 311 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 312 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 313 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 314 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 315 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 316 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 317 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 318 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 319 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 320 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 321 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 322 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 323 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 324 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 325 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 326 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 327 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 328 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 329 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 330 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 331 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 332 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 333 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 334 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 335 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 336 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 337 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 338 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 339 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 340 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 341 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 342 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 343 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 344 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 345 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 346 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 347 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 348 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 349 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 350 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 351 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 352 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 353 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 354 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 355 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 356 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 357 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 358 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 359 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 360 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 361 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 362 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 363 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 364 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 365 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 366 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 367 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 368 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 369 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 370 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 371 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 372 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 373 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 374 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 375 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 376 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 377 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 378 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 379 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 380 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 381 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 382 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 383 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 384 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 385 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 386 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 387 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 388 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 389 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 390 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 391 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 392 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 393 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 394 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 395 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 396 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 397 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 398 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 399 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 400 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 401 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 402 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 403 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 404 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 405 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 406 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 407 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 412 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 413 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 414 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 415 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 416 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 417 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 418 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 419 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 420 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 421 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 422 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 423 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 424 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 425 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 426 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 427 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 428 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 429 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 430 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 431 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 432 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 433 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 434 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 435 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 436 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 437 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 438 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 439 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 440 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 441 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 442 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 443 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 444 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 445 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 446 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 447 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 448 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 449 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 450 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 451 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 452 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 453 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 454 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 455 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 456 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 457 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 458 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 459 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 460 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 461 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 462 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 463 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 464 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 465 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 466 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 467 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 468 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 469 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 470 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 471 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 472 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 473 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 474 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 475 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 476 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 477 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 478 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 479 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 480 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 481 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 482 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 483 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 484 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 485 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 486 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 487 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 488 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 489 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 490 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 491 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 492 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 493 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 494 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 495 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 496 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 497 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 498 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 499 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 500 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 501 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 502 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 503 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 504 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 505 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 506 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 507 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 508 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 509 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 510 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 511 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 512 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 513 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 514 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 515 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 516 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 517 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 518 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 519 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 520 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 521 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 522 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 523 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 524 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 525 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 526 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 527 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 528 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 529 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 530 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 531 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 532 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 533 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 534 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 535 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 536 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 537 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 538 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 539 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 540 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 541 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 542 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 543 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 544 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 545 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 546 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 547 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 548 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 549 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 550 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 551 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 552 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 553 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 554 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 555 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 556 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 557 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 558 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 559 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 560 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 561 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 562 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 563 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 564 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 565 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 566 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 567 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 568 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 569 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 570 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 571 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 572 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo5_s20.cif b/soup/screen/mmcifs/denovo5_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..98846af7863d1dae2b665e286ba7a6ff70ec1a82 --- /dev/null +++ b/soup/screen/mmcifs/denovo5_s20.cif @@ -0,0 +1,611 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 13 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 14 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 15 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 16 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 21 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 22 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 23 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 28 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 29 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 30 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 35 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 36 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 37 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 38 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 39 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 40 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 41 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 42 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 43 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 44 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 45 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 46 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 47 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 48 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 49 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 50 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 51 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 52 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 53 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 54 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 55 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 56 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 57 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 58 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 59 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 64 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 65 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 66 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 67 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 68 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 69 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 70 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 71 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 72 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 73 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 74 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 75 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 76 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 77 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 78 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 79 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 80 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 81 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 82 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 83 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 84 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 85 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 86 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 87 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 88 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 89 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 90 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 91 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 92 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 93 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 94 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 95 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 96 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 97 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 98 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 99 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 100 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 101 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 102 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 103 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 104 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 105 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 106 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 107 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 108 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 109 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 110 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 111 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 112 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 117 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 118 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 119 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 120 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 121 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 122 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 123 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 124 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 125 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 126 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 127 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 128 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 133 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 134 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 139 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 140 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 141 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 142 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 143 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 144 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 145 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 146 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 147 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 148 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 149 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 150 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 151 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 152 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 153 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 154 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 155 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 156 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 157 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 158 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 159 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 160 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 161 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 162 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 163 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 164 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 165 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 166 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 167 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 168 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 169 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 170 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 171 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 172 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 177 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 178 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 179 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 180 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 181 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 182 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 183 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 184 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 185 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 186 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 187 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 188 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 189 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 190 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 191 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 192 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 193 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 194 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 195 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 196 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 197 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 198 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 199 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 200 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 201 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 202 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 207 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 208 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 209 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 210 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 211 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 212 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 213 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 214 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 215 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 216 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 217 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 218 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 219 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 220 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 221 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 222 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 223 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 224 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 225 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 226 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 227 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 228 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 229 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 230 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 231 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 232 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 233 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 234 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 239 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 240 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 241 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 242 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 243 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 244 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 245 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 246 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 247 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 248 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 249 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 250 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 251 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 252 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 253 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 254 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 255 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 256 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 257 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 258 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 259 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 260 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 261 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 262 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 263 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 264 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 265 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 266 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 267 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 268 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 269 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 274 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 275 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 276 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 277 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 278 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 279 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 280 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 281 N N VAL A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA VAL A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C VAL A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O VAL A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 C CB VAL A 39 0.378 -25.961 19.670 1.00 0.00 +ATOM 286 C CG2 VAL A 39 0.216 -24.658 18.850 1.00 0.00 +ATOM 287 C CG1 VAL A 39 1.192 -25.663 20.946 1.00 0.00 +ATOM 288 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 289 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 290 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 291 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 292 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 293 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 294 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 295 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 296 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 297 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 298 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 299 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 300 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 301 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 302 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 303 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 304 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 305 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 306 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 307 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 308 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 309 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 314 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 315 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 316 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 317 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 318 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 319 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 320 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 321 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 322 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 323 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 324 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 325 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 326 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 327 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 328 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 329 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 330 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 331 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 332 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 333 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 334 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 335 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 336 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 337 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 338 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 339 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 340 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 341 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 342 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 343 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 344 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 345 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 346 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 347 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 348 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 349 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 350 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 351 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 352 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 353 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 354 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 355 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 356 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 357 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 362 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 363 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 364 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 365 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 366 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 367 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 368 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 369 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 370 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 371 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 372 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 373 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 374 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 375 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 376 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 377 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 378 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 379 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 380 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 381 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 382 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 383 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 384 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 385 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 386 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 387 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 388 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 389 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 390 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 391 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 392 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 393 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 394 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 395 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 396 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 397 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 398 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 399 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 400 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 401 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 402 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 403 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 404 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 405 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 406 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 407 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 408 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 409 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 410 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 411 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 412 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 413 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 414 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 415 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 416 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 417 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 418 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 419 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 420 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 421 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 422 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 423 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 424 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 425 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 426 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 427 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 428 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 429 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 430 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 431 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 432 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 433 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 434 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 435 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 436 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 437 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 438 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 439 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 440 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 441 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 442 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 443 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 444 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 445 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 446 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 447 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 448 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 449 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 450 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 451 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 452 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 453 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 454 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 455 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 456 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 457 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 458 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 459 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 460 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 461 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 462 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 463 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 464 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 465 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 466 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 467 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 468 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 469 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 470 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 471 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 472 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 473 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 474 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 475 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 476 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 477 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 478 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 479 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 480 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 481 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 482 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 483 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 484 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 485 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 486 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 487 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 488 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 489 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 490 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 491 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 492 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 493 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 494 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 495 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 496 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 497 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 498 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 499 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 500 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 501 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 502 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 503 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 504 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 505 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 506 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 507 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 508 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 509 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 510 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 511 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 512 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 513 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 514 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 515 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 516 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 517 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 518 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 519 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 520 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 521 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 522 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 523 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 524 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 525 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 526 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 527 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 528 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 529 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 530 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 531 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 532 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 533 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 534 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 535 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 536 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 537 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 538 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 539 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 540 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 541 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 542 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 543 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 544 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 545 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 546 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 547 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 548 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 549 N N ARG A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 550 C CA ARG A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 551 C C ARG A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 552 O O ARG A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 553 C CB ARG A 74 -29.416 8.072 16.225 1.00 0.00 +ATOM 554 C CG ARG A 74 -29.304 9.255 17.197 1.00 0.00 +ATOM 555 C CD ARG A 74 -28.069 10.126 16.865 1.00 0.00 +ATOM 556 N NE ARG A 74 -26.900 9.280 16.596 1.00 0.00 +ATOM 557 C CZ ARG A 74 -26.628 9.363 15.079 1.00 0.00 +ATOM 558 N NH1 ARG A 74 -25.432 9.530 14.663 1.00 0.00 +ATOM 559 N NH2 ARG A 74 -27.689 9.031 14.119 1.00 0.00 +ATOM 560 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 561 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 562 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 563 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 564 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 565 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 566 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 567 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 568 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 569 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 570 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 571 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 572 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 573 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 574 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 575 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 576 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 577 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 578 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 579 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 580 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 581 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 582 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 583 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 584 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 585 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 586 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 587 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 588 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 589 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 590 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 591 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 592 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 593 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 594 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 595 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo60_s20.cif b/soup/screen/mmcifs/denovo60_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..67b802e055b2531b6c2bc67a1ff7bfcdd7aebbc1 --- /dev/null +++ b/soup/screen/mmcifs/denovo60_s20.cif @@ -0,0 +1,566 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 10 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 11 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 12 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 13 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 14 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 23 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 24 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 25 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 30 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 31 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 32 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 33 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 34 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 39 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 40 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 41 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 46 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 47 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 52 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 53 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 54 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 55 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 60 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 61 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 62 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 67 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 72 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 73 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 74 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 75 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 80 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 81 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 82 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 83 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 84 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 89 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 90 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 95 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 96 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 97 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 98 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 103 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 104 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 105 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 106 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 107 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 108 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 109 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 110 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 111 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 112 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 113 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 114 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 115 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 116 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 117 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 118 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 119 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 124 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 125 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 126 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 127 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 128 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 129 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 130 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 131 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 132 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 133 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 134 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 135 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 136 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 137 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 138 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 139 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 140 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 141 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 142 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 143 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 144 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 145 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 146 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 147 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 148 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 149 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 150 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 151 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 152 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 153 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 154 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 155 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 156 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 157 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 158 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 159 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 160 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 161 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 162 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 163 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 164 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 165 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 166 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 167 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 168 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 169 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 170 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 171 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 172 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 173 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 174 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 175 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 176 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 177 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 178 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 179 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 180 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 181 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 182 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 183 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 184 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 185 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 186 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 187 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 188 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 189 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 190 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 191 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 192 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 193 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 194 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 195 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 196 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 197 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 198 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 199 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 200 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 201 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 202 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 203 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 204 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 205 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 206 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 207 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 208 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 209 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 210 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 211 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 212 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 213 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 214 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 215 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 216 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 217 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 218 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 219 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 220 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 221 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 222 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 223 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 224 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 225 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 226 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 227 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 228 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 229 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 230 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 231 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 232 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 233 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 234 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 235 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 236 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 237 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 238 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 239 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 240 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 241 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 242 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 243 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 244 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 245 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 246 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 247 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 248 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 249 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 250 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 251 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 252 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 253 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 254 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 255 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 256 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 257 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 258 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 259 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 260 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 261 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 262 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 263 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 264 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 265 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 266 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 267 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 268 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 269 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 270 N N GLU A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 271 C CA GLU A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 272 C C GLU A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 273 O O GLU A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 274 C CB GLU A 40 -1.626 -24.113 23.659 1.00 0.00 +ATOM 275 C CG GLU A 40 -1.777 -22.733 24.334 1.00 0.00 +ATOM 276 C CD GLU A 40 -3.019 -22.722 25.244 1.00 0.00 +ATOM 277 O OE1 GLU A 40 -4.111 -22.472 24.768 1.00 0.00 +ATOM 278 O OE2 GLU A 40 -2.854 -22.706 26.662 1.00 0.00 +ATOM 279 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 284 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 285 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 290 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 291 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 292 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 293 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 294 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 295 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 296 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 297 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 298 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 299 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 300 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 301 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 302 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 303 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 304 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 305 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 306 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 307 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 308 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 309 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 310 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 311 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 312 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 313 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 314 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 315 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 316 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 317 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 318 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 319 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 320 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 321 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 322 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 323 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 324 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 325 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 326 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 327 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 328 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 329 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 330 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 331 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 332 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 333 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 334 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 335 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 336 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 337 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 338 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 339 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 340 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 341 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 342 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 343 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 344 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 345 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 346 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 347 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 348 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 349 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 350 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 351 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 352 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 353 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 354 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 355 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 356 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 357 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 358 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 359 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 360 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 361 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 362 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 363 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 364 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 365 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 366 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 367 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 368 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 369 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 370 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 371 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 372 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 373 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 374 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 375 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 376 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 377 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 378 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 379 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 380 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 381 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 382 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 383 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 384 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 385 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 386 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 387 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 388 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 389 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 390 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 391 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 392 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 393 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 394 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 395 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 396 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 397 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 398 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 399 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 400 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 401 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 402 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 403 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 404 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 405 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 406 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 407 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 408 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 409 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 410 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 411 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 412 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 413 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 414 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 415 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 416 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 417 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 418 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 419 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 420 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 421 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 422 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 423 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 424 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 425 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 426 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 427 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 428 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 429 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 430 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 431 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 432 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 433 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 434 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 435 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 436 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 437 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 438 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 439 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 440 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 441 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 442 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 443 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 444 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 445 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 446 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 447 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 448 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 449 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 450 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 451 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 452 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 453 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 454 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 455 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 456 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 457 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 458 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 459 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 460 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 461 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 462 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 463 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 464 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 465 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 466 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 467 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 468 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 469 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 470 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 471 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 472 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 473 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 474 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 475 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 476 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 477 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 478 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 479 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 480 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 481 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 482 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 483 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 484 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 485 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 486 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 487 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 488 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 489 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 490 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 491 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 492 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 493 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 494 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 495 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 496 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 497 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 498 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 499 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 500 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 501 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 502 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 503 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 504 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 505 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 506 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 507 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 508 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 509 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 510 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 511 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 512 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 513 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 514 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 515 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 516 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 517 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 518 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 519 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 520 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 521 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 522 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 523 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 524 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 525 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 526 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 527 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 528 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 529 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 530 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 531 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 532 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 533 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 534 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 535 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 536 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 537 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 538 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 539 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 540 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 541 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 542 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 543 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 544 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 545 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 546 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 547 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 548 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 549 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 550 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo61_s20.cif b/soup/screen/mmcifs/denovo61_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f4b0e260d966514b1b81cbe2cd622bbece006f5a --- /dev/null +++ b/soup/screen/mmcifs/denovo61_s20.cif @@ -0,0 +1,609 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N LYS A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA LYS A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C LYS A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O LYS A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB LYS A 2 2.070 4.325 0.366 1.00 0.00 +ATOM 13 C CG LYS A 2 3.253 3.733 1.183 1.00 0.00 +ATOM 14 C CD LYS A 2 4.553 3.806 0.367 1.00 0.00 +ATOM 15 C CE LYS A 2 5.631 4.536 1.194 1.00 0.00 +ATOM 16 N NZ LYS A 2 5.591 5.975 0.907 1.00 0.00 +ATOM 17 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 22 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 23 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 28 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 29 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 30 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 31 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 32 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 33 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 34 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 39 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 40 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 41 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 42 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 43 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 48 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 49 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 50 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 51 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 52 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 53 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 54 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 55 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 56 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 57 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 58 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 59 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 64 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 65 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 66 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 71 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 72 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 73 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 82 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 83 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 84 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 85 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 90 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 91 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 92 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 93 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 94 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 95 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 96 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 97 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 98 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 99 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 100 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 101 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 102 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 103 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 104 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 105 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 106 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 107 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 108 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 109 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 110 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 111 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 112 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 113 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 114 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 115 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 116 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 117 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 118 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 119 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 120 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 121 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 122 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 123 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 124 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 125 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 126 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 127 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 128 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 129 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 130 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 131 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 132 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 133 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 138 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 139 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 140 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 141 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 142 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 143 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 144 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 145 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 146 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 147 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 148 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 149 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 150 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 151 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 152 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 153 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 154 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 155 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 156 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 161 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 166 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 167 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 168 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 169 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 170 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 171 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 172 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 173 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 174 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 175 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 176 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 177 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 178 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 179 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 180 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 181 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 182 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 183 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 184 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 185 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 186 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 187 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 188 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 189 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 190 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 191 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 192 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 193 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 194 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 195 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 200 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 201 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 202 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 203 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 204 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 205 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 206 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 207 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 208 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 209 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 210 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 211 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 212 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 213 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 214 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 215 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 216 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 217 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 218 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 219 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 220 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 221 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 222 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 223 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 224 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 225 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 226 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 227 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 228 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 229 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 230 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 231 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 232 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 233 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 234 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 235 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 236 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 237 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 238 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 239 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 240 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 241 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 242 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 243 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 244 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 245 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 246 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 247 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 248 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 249 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 250 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 251 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 252 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 253 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 254 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 255 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 256 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 257 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 258 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 259 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 260 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 261 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 262 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 263 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 264 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 265 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 266 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 267 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 268 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 269 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 270 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 271 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 272 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 273 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 274 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 275 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 276 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 277 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 278 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 279 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 280 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 281 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 282 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 283 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 284 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 285 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 286 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 287 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 288 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 289 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 290 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 291 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 292 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 293 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 294 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 295 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 296 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 297 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 298 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 299 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 300 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 301 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 302 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 303 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 304 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 305 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 306 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 307 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 308 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 309 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 310 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 311 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 312 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 313 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 314 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 315 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 316 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 317 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 318 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 319 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 320 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 321 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 322 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 323 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 324 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 325 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 326 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 327 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 328 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 329 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 330 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 331 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 332 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 333 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 334 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 335 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 336 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 337 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 338 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 339 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 340 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 341 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 342 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 343 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 344 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 345 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 346 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 347 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 348 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 349 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 350 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 351 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 352 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 353 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 354 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 355 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 356 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 357 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 358 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 359 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 360 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 361 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 362 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 363 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 364 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 365 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 366 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 367 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 368 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 369 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 370 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 371 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 372 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 373 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 374 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 375 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 376 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 377 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 378 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 379 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 380 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 381 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 382 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 383 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 384 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 385 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 386 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 387 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 388 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 389 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 390 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 391 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 392 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 393 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 394 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 395 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 396 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 397 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 398 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 399 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 400 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 401 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 402 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 403 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 404 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 405 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 406 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 407 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 408 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 409 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 410 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 411 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 412 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 413 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 414 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 415 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 416 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 417 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 418 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 419 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 420 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 421 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 422 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 423 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 424 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 425 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 426 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 427 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 428 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 429 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 430 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 431 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 432 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 433 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 434 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 435 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 436 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 437 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 438 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 439 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 440 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 441 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 442 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 443 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 444 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 445 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 446 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 447 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 448 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 449 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 450 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 451 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 452 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 453 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 454 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 455 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 456 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 457 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 458 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 459 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 460 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 461 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 462 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 463 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 464 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 465 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 466 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 467 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 468 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 469 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 470 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 471 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 472 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 473 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 474 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 475 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 476 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 477 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 478 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 479 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 480 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 481 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 482 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 483 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 484 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 485 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 486 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 487 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 488 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 489 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 490 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 491 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 492 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 493 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 494 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 495 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 496 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 497 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 498 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 499 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 500 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 501 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 502 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 503 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 504 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 505 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 506 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 507 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 508 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 509 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 510 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 511 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 512 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 513 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 514 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 515 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 516 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 517 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 518 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 519 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 520 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 521 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 522 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 523 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 524 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 525 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 526 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 527 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 528 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 529 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 530 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 531 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 532 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 533 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 534 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 535 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 536 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 537 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 538 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 539 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 540 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 541 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 542 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 543 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 544 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 545 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 546 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 547 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 548 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 549 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 550 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 551 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 552 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 553 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 554 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 555 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 556 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 557 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 558 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 559 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 560 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 561 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 562 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 563 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 564 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 565 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 566 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 567 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 568 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 569 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 570 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 571 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 572 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 573 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 574 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 575 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 576 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 577 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 578 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 579 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 580 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 581 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 582 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 583 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 584 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 585 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 586 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 587 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 588 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 589 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 590 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 591 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 592 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 593 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo62_s20.cif b/soup/screen/mmcifs/denovo62_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..78bfb6e5bf571cac71fc127af903fc25c6daeb2c --- /dev/null +++ b/soup/screen/mmcifs/denovo62_s20.cif @@ -0,0 +1,608 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 13 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 14 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 15 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 20 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 21 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 22 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 23 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 24 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 29 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 30 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 31 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 32 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 33 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 34 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 35 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 40 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 41 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 42 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 43 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 44 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 45 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 46 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 47 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 48 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 53 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 54 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 55 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 56 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 57 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 62 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 63 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 64 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 69 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 70 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 71 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 72 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 73 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 74 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 75 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 76 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 77 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 78 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 79 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 80 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 81 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 82 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 83 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 84 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 85 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 86 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 87 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 88 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 89 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 90 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 91 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 92 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 93 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 94 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 95 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 96 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 97 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 98 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 99 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 100 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 101 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 102 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 103 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 104 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 105 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 106 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 107 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 108 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 109 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 110 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 111 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 112 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 113 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 114 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 115 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 116 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 117 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 118 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 119 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 120 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 121 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 122 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 123 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 124 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 125 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 126 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 127 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 128 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 129 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 130 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 131 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 132 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 133 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 138 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 143 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 144 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 145 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 146 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 147 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 148 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 149 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 150 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 151 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 152 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 153 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 154 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 155 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 156 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 157 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 158 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 159 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 160 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 161 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 166 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 167 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 172 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 173 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 174 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 175 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 176 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 177 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 178 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 179 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 180 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 181 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 186 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 187 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 188 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 189 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 190 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 195 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 196 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 197 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 202 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 203 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 204 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 205 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 206 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 207 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 208 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 209 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 214 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 215 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 216 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 217 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 218 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 219 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 220 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 221 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 222 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 223 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 224 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 225 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 226 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 227 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 228 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 229 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 230 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 231 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 232 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 233 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 234 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 235 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 240 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 241 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 242 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 247 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 248 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 249 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 250 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 251 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 252 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 253 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 254 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 255 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 256 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 257 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 258 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 259 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 260 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 261 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 262 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 263 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 264 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 265 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 266 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 267 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 268 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 269 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 270 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 271 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 272 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 273 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 274 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 275 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 276 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 277 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 278 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 279 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 280 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 281 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 282 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 283 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 284 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 285 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 286 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 287 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 288 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 289 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 290 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 291 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 292 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 293 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 294 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 295 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 296 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 297 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 298 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 299 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 300 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 301 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 302 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 303 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 304 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 305 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 306 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 307 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 308 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 309 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 310 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 311 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 316 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 317 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 318 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 319 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 320 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 321 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 322 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 323 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 324 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 329 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 330 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 331 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 332 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 333 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 334 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 335 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 336 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 337 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 338 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 339 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 340 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 341 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 342 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 343 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 344 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 345 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 346 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 347 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 348 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 349 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 350 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 351 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 352 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 353 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 354 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 355 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 356 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 357 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 358 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 359 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 360 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 361 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 362 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 363 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 364 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 365 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 366 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 367 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 368 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 369 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 370 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 371 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 372 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 373 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 374 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 375 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 376 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 377 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 378 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 379 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 380 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 381 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 382 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 383 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 384 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 385 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 386 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 387 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 388 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 389 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 390 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 391 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 392 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 393 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 394 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 395 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 396 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 397 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 398 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 399 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 400 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 401 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 402 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 403 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 404 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 405 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 406 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 407 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 408 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 409 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 410 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 411 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 412 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 413 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 414 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 415 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 416 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 417 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 418 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 419 N N ARG A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 420 C CA ARG A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 421 C C ARG A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 422 O O ARG A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 423 C CB ARG A 57 -27.241 0.198 15.295 1.00 0.00 +ATOM 424 C CG ARG A 57 -26.754 1.643 15.474 1.00 0.00 +ATOM 425 C CD ARG A 57 -25.670 1.729 16.575 1.00 0.00 +ATOM 426 N NE ARG A 57 -26.063 0.934 17.745 1.00 0.00 +ATOM 427 C CZ ARG A 57 -25.147 -0.308 17.769 1.00 0.00 +ATOM 428 N NH1 ARG A 57 -24.612 -0.674 18.870 1.00 0.00 +ATOM 429 N NH2 ARG A 57 -25.068 -1.190 16.597 1.00 0.00 +ATOM 430 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 431 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 432 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 433 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 434 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 435 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 436 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 437 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 438 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 439 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 440 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 441 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 442 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 443 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 444 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 445 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 446 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 447 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 448 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 449 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 450 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 451 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 452 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 453 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 454 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 455 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 456 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 457 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 458 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 459 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 460 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 461 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 462 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 463 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 464 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 465 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 466 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 467 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 468 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 469 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 470 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 471 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 472 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 473 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 474 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 475 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 476 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 477 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 478 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 479 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 480 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 481 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 482 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 483 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 484 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 485 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 486 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 487 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 488 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 489 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 490 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 491 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 492 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 493 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 494 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 495 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 496 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 497 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 498 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 499 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 500 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 501 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 502 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 503 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 504 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 505 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 506 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 507 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 508 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 509 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 510 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 511 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 512 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 513 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 514 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 515 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 516 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 517 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 518 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 519 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 520 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 521 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 522 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 523 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 524 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 525 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 526 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 527 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 528 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 529 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 530 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 531 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 532 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 533 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 534 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 535 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 536 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 537 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 538 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 539 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 540 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 541 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 542 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 543 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 544 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 545 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 546 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 547 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 548 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 549 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 550 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 551 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 552 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 553 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 554 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 555 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 556 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 557 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 558 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 559 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 560 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 561 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 562 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 563 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 564 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 565 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 566 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 567 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 568 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 569 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 570 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 571 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 572 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 573 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 574 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 575 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 576 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 577 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 578 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 579 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 580 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 581 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 582 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 583 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 584 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 585 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 586 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 587 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 588 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 589 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 590 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 591 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 592 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo63_s20.cif b/soup/screen/mmcifs/denovo63_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..5a40e7e665ab6b2def159e2e38ba9bf7c4b27057 --- /dev/null +++ b/soup/screen/mmcifs/denovo63_s20.cif @@ -0,0 +1,573 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 15 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 16 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 17 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 18 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 19 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 24 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 25 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 26 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 31 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 36 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 37 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 38 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 43 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 44 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 45 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 46 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 47 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 48 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 49 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 50 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 51 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 52 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 53 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 54 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 59 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 60 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 61 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 66 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 67 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 68 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 69 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 70 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 71 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 72 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 73 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 74 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 75 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 76 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 81 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 82 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 83 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 88 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 89 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 90 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 95 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 96 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 97 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 98 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 99 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 100 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 101 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 102 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 103 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 104 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 105 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 106 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 107 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 108 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 109 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 110 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 111 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 112 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 113 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 114 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 115 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 116 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 117 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 118 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 119 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 120 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 121 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 122 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 123 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 124 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 125 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 126 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 127 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 132 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 133 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 134 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 135 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 136 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 137 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 138 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 139 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 140 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 141 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 142 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 143 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 144 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 145 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 146 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 147 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 148 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 149 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 150 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 151 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 152 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 153 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 154 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 155 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 156 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 157 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 158 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 159 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 160 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 161 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 162 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 163 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 164 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 165 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 166 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 167 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 168 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 169 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 174 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 175 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 176 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 181 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 186 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 187 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 188 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 193 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 194 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 195 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 196 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 197 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 198 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 199 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 200 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 201 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 202 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 203 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 204 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 205 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 206 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 207 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 208 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 209 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 210 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 211 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 212 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 213 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 214 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 215 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 216 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 217 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 218 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 219 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 220 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 221 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 222 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 223 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 224 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 225 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 226 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 227 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 228 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 229 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 230 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 231 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 232 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 233 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 234 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 235 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 236 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 237 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 238 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 239 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 240 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 241 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 242 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 243 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 244 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 245 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 246 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 247 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 248 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 249 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 250 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 251 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 252 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 253 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 254 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 255 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 256 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 257 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 258 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 259 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 260 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 261 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 262 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 263 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 264 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 265 N N VAL A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 266 C CA VAL A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 267 C C VAL A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 268 O O VAL A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 269 C CB VAL A 40 -1.618 -24.160 23.653 1.00 0.00 +ATOM 270 C CG2 VAL A 40 -1.982 -22.986 24.596 1.00 0.00 +ATOM 271 C CG1 VAL A 40 -1.458 -25.450 24.483 1.00 0.00 +ATOM 272 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 273 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 274 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 275 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 276 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 277 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 278 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 279 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 280 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 281 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 282 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 283 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 284 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 285 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 286 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 287 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 288 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 289 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 290 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 291 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 292 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 293 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 294 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 295 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 296 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 297 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 298 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 299 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 300 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 301 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 302 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 303 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 304 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 305 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 306 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 307 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 308 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 309 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 310 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 311 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 312 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 313 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 314 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 315 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 316 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 317 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 318 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 319 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 320 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 321 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 322 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 323 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 324 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 325 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 326 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 327 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 328 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 329 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 330 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 331 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 332 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 333 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 334 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 335 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 336 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 337 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 338 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 339 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 340 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 341 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 342 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 343 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 344 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 345 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 346 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 347 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 348 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 349 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 350 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 351 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 352 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 353 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 354 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 355 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 356 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 357 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 358 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 359 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 360 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 361 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 362 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 363 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 364 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 365 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 366 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 367 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 368 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 369 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 370 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 371 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 372 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 373 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 374 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 375 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 376 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 377 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 378 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 379 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 380 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 381 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 382 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 383 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 384 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 385 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 386 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 387 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 388 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 389 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 390 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 391 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 392 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 393 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 394 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 395 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 396 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 397 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 398 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 399 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 400 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 401 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 402 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 403 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 404 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 405 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 406 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 407 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 408 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 409 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 410 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 411 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 412 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 413 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 414 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 415 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 416 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 417 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 418 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 419 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 420 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 421 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 422 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 423 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 424 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 425 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 426 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 427 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 428 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 429 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 430 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 431 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 432 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 433 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 434 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 435 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 436 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 437 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 438 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 439 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 440 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 441 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 442 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 443 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 444 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 445 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 446 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 447 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 448 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 449 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 450 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 451 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 452 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 453 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 454 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 455 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 456 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 457 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 458 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 459 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 460 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 461 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 462 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 463 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 464 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 465 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 466 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 467 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 468 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 469 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 470 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 471 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 472 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 473 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 474 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 475 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 476 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 477 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 478 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 479 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 480 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 481 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 482 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 483 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 484 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 485 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 486 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 487 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 488 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 489 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 490 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 491 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 492 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 493 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 494 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 495 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 496 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 497 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 498 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 499 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 500 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 501 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 502 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 503 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 504 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 505 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 506 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 507 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 508 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 509 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 510 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 511 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 512 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 513 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 514 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 515 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 516 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 517 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 518 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 519 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 520 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 521 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 522 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 523 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 524 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 525 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 526 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 527 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 528 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 529 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 530 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 531 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 532 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 533 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 534 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 535 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 536 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 537 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 538 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 539 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 540 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 541 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 542 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 543 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 544 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 545 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 546 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 547 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 548 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 549 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 550 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 551 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 552 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 553 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 554 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 555 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 556 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 557 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo64_s20.cif b/soup/screen/mmcifs/denovo64_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..4bfbb9167c091a615d4a35022527375d31f5cb24 --- /dev/null +++ b/soup/screen/mmcifs/denovo64_s20.cif @@ -0,0 +1,590 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 13 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 14 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 15 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 16 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 17 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 22 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 23 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 24 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 29 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 30 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 31 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 32 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 33 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 42 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 43 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 44 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 49 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 50 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 51 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 52 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 53 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 54 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 55 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 60 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 61 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 62 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 67 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 68 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 69 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 70 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 71 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 72 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 73 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 74 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 75 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 76 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 77 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 78 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 83 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 84 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 85 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 86 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 87 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 88 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 89 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 90 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 91 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 92 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 93 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 94 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 95 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 96 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 97 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 98 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 99 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 100 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 101 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 102 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 103 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 104 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 105 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 106 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 107 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 108 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 109 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 110 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 111 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 112 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 117 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 118 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 119 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 120 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 121 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 122 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 123 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 124 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 125 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 126 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 127 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 132 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 133 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 134 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 139 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 140 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 141 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 142 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 143 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 148 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 149 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 150 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 151 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 152 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 157 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 158 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 159 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 160 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 161 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 162 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 163 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 164 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 165 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 166 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 167 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 168 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 169 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 170 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 171 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 172 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 173 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 174 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 175 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 176 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 177 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 178 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 179 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 180 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 181 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 182 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 183 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 184 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 185 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 190 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 191 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 192 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 193 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 194 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 195 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 196 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 197 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 198 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 199 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 200 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 201 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 202 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 203 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 204 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 205 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 206 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 207 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 208 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 209 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 210 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 211 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 212 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 213 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 214 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 215 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 216 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 217 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 218 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 219 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 220 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 221 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 222 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 223 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 224 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 225 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 226 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 227 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 228 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 229 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 230 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 231 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 232 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 233 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 234 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 239 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 240 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 241 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 242 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 243 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 244 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 245 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 246 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 247 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 248 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 249 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 250 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 251 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 252 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 253 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 254 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 255 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 256 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 257 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 258 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 259 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 260 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 261 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 262 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 263 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 264 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 265 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 266 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 267 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 268 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 269 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 270 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 271 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 272 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 273 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 274 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 275 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 276 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 277 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 278 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 279 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 280 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 281 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 282 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 283 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 284 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 285 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 286 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 287 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 288 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 289 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 290 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 291 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 292 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 293 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 294 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 295 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 296 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 297 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 298 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 299 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 300 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 301 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 302 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 303 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 304 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 305 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 310 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 311 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 312 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 317 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 318 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 319 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 320 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 321 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 322 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 323 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 324 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 325 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 326 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 327 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 328 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 329 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 330 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 331 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 332 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 333 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 334 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 335 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 336 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 337 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 338 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 339 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 340 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 341 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 342 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 343 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 344 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 345 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 346 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 347 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 348 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 349 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 350 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 351 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 352 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 353 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 354 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 355 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 356 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 357 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 358 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 359 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 360 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 361 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 362 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 363 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 364 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 365 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 366 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 367 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 368 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 369 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 370 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 371 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 372 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 373 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 374 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 379 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 380 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 381 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 382 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 383 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 384 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 385 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 386 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 387 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 388 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 389 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 390 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 391 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 392 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 393 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 394 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 395 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 396 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 397 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 398 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 399 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 400 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 401 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 402 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 403 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 404 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 405 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 406 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 407 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 408 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 409 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 410 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 411 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 412 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 413 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 418 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 419 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 420 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 421 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 422 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 423 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 424 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 425 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 426 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 427 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 428 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 429 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 430 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 431 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 432 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 433 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 434 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 435 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 436 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 437 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 438 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 443 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 444 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 445 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 446 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 447 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 448 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 449 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 450 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 451 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 452 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 453 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 454 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 455 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 456 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 457 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 458 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 459 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 460 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 461 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 462 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 463 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 464 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 465 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 466 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 467 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 468 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 469 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 470 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 471 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 472 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 473 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 474 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 475 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 476 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 477 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 478 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 479 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 480 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 481 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 482 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 483 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 484 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 485 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 486 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 487 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 488 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 489 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 490 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 491 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 492 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 493 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 494 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 495 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 496 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 497 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 498 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 499 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 500 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 501 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 502 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 503 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 504 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 505 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 506 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 507 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 508 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 509 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 510 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 511 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 512 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 513 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 514 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 515 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 516 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 517 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 518 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 519 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 520 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 521 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 522 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 523 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 524 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 525 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 530 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 531 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 532 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 533 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 534 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 535 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 536 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 541 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 542 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 543 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 544 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 545 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 546 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 547 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 548 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 549 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 554 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 555 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 556 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 557 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 558 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 559 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 560 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 561 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 562 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 563 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 564 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 565 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 566 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 567 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 568 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 569 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 570 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 571 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 572 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 573 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 574 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo65_s20.cif b/soup/screen/mmcifs/denovo65_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..09f26b159f263df13919ba62843ade5b3e69ad0e --- /dev/null +++ b/soup/screen/mmcifs/denovo65_s20.cif @@ -0,0 +1,600 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 17 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 18 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 19 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 24 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 25 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 26 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 27 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 28 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 29 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 30 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 31 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 32 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 33 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 34 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 35 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 36 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 37 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 38 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 39 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 40 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 41 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 42 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 43 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 44 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 45 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 46 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 47 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 48 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 49 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 50 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 51 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 52 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 53 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 54 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 59 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 60 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 61 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 62 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 63 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 64 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 65 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 66 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 67 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 68 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 69 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 74 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 75 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 76 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 77 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 78 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 79 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 80 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 81 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 82 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 83 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 84 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 85 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 86 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 87 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 88 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 93 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 94 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 95 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 96 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 97 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 98 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 99 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 100 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 101 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 102 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 103 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 104 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 105 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 106 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 107 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 108 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 109 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 110 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 111 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 116 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 117 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 118 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 119 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 120 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 121 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 122 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 123 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 124 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 125 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 126 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 127 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 128 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 129 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 130 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 131 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 132 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 133 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 138 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 139 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 140 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 141 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 142 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 147 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 148 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 149 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 154 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 155 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 156 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 157 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 158 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 159 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 160 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 161 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 162 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 163 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 164 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 165 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 166 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 167 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 168 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 169 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 170 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 171 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 172 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 173 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 174 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 175 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 176 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 177 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 178 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 179 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 180 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 181 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 182 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 183 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 184 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 185 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 186 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 187 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 188 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 189 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 190 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 191 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 192 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 193 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 194 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 195 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 196 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 197 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 198 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 199 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 200 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 201 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 202 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 203 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 204 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 205 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 206 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 207 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 208 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 209 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 210 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 211 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 212 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 213 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 214 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 215 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 216 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 217 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 218 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 219 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 220 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 221 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 222 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 223 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 224 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 225 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 226 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 227 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 228 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 229 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 230 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 231 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 232 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 233 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 234 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 235 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 236 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 237 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 238 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 239 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 240 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 241 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 242 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 243 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 244 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 245 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 246 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 247 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 248 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 249 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 250 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 251 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 252 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 253 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 254 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 255 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 256 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 257 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 258 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 259 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 260 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 261 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 262 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 263 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 264 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 265 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 266 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 267 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 268 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 269 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 270 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 271 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 272 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 273 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 274 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 275 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 276 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 277 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 278 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 279 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 280 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 281 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 282 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 283 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 284 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 285 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 286 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 287 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 288 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 289 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 290 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 291 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 292 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 293 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 294 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 295 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 296 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 297 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 298 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 299 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 300 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 301 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 302 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 303 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 304 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 305 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 306 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 307 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 308 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 309 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 310 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 311 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 312 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 313 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 314 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 315 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 316 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 317 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 318 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 319 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 320 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 321 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 322 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 323 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 328 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 329 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 330 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 331 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 332 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 333 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 334 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 335 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 336 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 337 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 338 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 339 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 340 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 341 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 342 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 343 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 344 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 345 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 346 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 347 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 348 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 349 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 350 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 351 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 352 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 353 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 354 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 355 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 356 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 357 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 358 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 359 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 360 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 361 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 362 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 363 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 364 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 369 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 370 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 371 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 372 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 373 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 374 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 375 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 376 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 377 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 378 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 379 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 380 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 381 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 382 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 383 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 388 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 389 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 390 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 395 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 396 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 397 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 398 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 399 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 400 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 401 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 402 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 403 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 404 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 405 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 406 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 407 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 408 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 409 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 410 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 411 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 412 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 413 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 414 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 415 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 416 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 417 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 418 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 419 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 420 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 421 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 422 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 423 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 424 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 425 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 426 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 427 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 428 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 429 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 430 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 431 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 432 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 433 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 434 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 435 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 436 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 437 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 438 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 439 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 440 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 441 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 442 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 447 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 448 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 449 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 450 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 451 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 452 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 453 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 454 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 455 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 456 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 457 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 458 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 459 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 460 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 461 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 462 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 463 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 464 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 465 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 466 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 467 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 468 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 469 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 470 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 471 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 472 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 473 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 474 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 475 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 476 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 477 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 478 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 479 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 480 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 481 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 482 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 483 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 484 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 485 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 486 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 487 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 488 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 489 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 490 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 491 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 492 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 493 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 494 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 495 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 496 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 497 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 498 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 499 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 500 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 501 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 502 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 503 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 504 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 505 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 506 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 507 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 508 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 509 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 510 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 511 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 512 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 513 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 514 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 515 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 516 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 517 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 518 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 519 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 520 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 521 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 522 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 523 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 524 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 525 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 530 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 531 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 532 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 533 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 534 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 535 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 536 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 537 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 538 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 539 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 540 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 541 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 542 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 543 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 544 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 545 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 546 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 547 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 548 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 549 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 550 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 551 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 552 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 553 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 554 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 555 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 556 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 557 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 558 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 559 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 560 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 561 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 562 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 563 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 564 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 565 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 566 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 567 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 568 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 569 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 570 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 571 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 572 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 573 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 574 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 578 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 579 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 580 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 581 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 582 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 583 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 584 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo66_s20.cif b/soup/screen/mmcifs/denovo66_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..243d2ec8593bf564e49a95786f56afbe7a5f10b1 --- /dev/null +++ b/soup/screen/mmcifs/denovo66_s20.cif @@ -0,0 +1,581 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 15 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 16 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 17 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 22 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 23 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 24 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 25 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 30 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 31 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 32 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 33 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 38 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 43 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 44 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 45 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 46 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 47 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 52 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 53 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 58 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 59 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 60 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 65 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 66 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 67 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 68 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 73 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 74 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 75 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 76 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 77 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 78 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 79 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 80 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 81 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 82 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 83 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 84 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 85 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 90 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 91 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 92 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 93 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 94 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 95 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 96 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 97 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 98 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 99 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 100 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 101 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 102 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 103 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 104 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 105 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 106 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 107 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 108 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 109 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 110 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 111 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 112 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 113 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 114 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 115 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 116 N N GLY A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA GLY A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C GLY A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O GLY A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 121 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 122 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 123 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 124 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 125 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 126 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 131 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 132 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 133 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 134 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 135 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 136 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 137 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 138 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 139 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 140 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 145 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 146 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 147 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 148 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 149 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 154 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 155 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 156 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 157 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 158 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 159 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 164 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 165 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 166 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 171 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 172 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 173 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 174 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 179 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 180 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 181 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 182 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 183 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 184 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 185 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 186 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 187 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 188 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 189 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 190 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 191 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 192 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 193 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 194 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 195 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 196 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 197 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 198 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 199 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 200 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 201 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 202 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 203 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 204 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 205 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 206 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 207 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 208 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 209 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 210 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 211 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 212 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 213 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 214 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 215 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 216 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 221 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 222 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 223 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 224 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 225 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 226 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 227 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 228 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 229 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 230 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 231 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 232 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 233 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 234 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 235 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 236 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 237 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 238 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 239 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 240 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 241 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 242 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 247 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 248 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 249 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 250 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 251 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 252 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 253 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 254 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 255 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 256 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 257 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 258 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 259 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 260 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 261 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 262 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 263 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 264 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 265 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 266 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 267 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 268 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 269 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 274 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 275 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 276 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 277 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 278 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 279 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 280 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 281 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 282 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 283 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 284 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 285 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 286 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 287 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 288 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 289 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 290 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 291 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 292 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 293 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 294 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 295 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 296 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 297 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 298 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 299 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 300 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 301 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 302 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 303 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 304 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 305 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 306 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 307 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 308 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 309 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 310 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 311 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 312 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 313 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 314 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 315 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 316 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 317 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 318 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 319 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 320 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 321 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 322 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 323 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 324 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 325 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 326 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 327 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 328 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 329 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 330 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 331 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 332 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 333 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 334 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 335 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 336 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 337 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 338 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 339 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 340 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 341 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 342 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 343 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 344 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 345 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 346 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 347 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 348 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 349 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 350 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 351 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 352 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 353 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 354 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 355 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 356 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 357 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 358 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 359 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 360 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 361 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 362 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 363 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 364 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 365 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 366 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 367 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 368 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 369 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 370 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 371 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 372 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 373 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 374 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 375 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 376 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 377 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 378 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 379 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 380 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 381 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 382 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 383 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 384 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 385 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 386 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 387 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 388 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 389 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 390 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 391 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 392 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 393 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 394 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 399 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 400 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 401 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 402 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 403 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 404 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 405 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 406 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 407 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 408 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 409 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 410 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 411 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 412 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 413 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 414 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 415 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 416 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 417 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 418 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 419 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 420 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 421 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 422 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 423 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 424 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 425 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 426 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 427 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 428 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 429 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 430 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 431 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 432 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 433 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 434 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 435 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 436 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 437 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 438 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 439 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 440 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 441 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 442 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 443 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 444 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 445 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 446 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 447 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 448 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 449 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 450 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 451 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 452 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 453 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 454 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 455 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 456 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 457 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 458 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 459 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 460 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 461 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 462 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 463 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 464 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 465 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 466 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 467 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 468 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 469 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 470 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 471 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 472 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 473 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 474 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 475 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 476 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 477 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 478 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 479 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 480 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 481 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 482 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 483 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 484 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 485 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 486 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 487 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 488 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 489 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 490 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 491 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 492 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 493 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 494 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 495 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 496 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 497 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 498 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 503 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 504 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 505 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 506 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 507 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 508 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 509 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 510 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 511 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 512 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 513 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 514 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 515 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 516 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 517 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 518 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 519 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 520 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 521 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 522 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 523 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 524 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 525 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 526 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 527 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 528 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 529 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 530 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 531 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 532 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 533 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 534 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 535 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 536 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 537 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 538 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 539 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 540 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 541 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 542 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 543 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 544 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 545 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 546 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 547 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 548 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 549 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 550 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 551 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 552 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 553 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 554 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 555 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 556 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 557 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 558 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 559 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 560 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 561 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 562 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 563 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 564 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 565 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo67_s20.cif b/soup/screen/mmcifs/denovo67_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c449c94af5004ef564e2c6cee10034464fc85fc4 --- /dev/null +++ b/soup/screen/mmcifs/denovo67_s20.cif @@ -0,0 +1,616 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 12 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 13 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 14 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 15 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 16 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 17 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 18 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 23 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 24 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 25 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 26 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 31 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 32 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 33 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 34 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 35 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 40 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 45 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 46 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 47 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 52 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 53 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 54 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 55 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 56 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 57 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 58 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 59 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 60 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 61 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 62 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 63 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 64 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 65 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 66 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 71 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 72 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 73 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 74 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 79 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 80 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 81 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 82 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 83 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 84 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 85 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 86 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 87 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 88 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 93 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 94 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 95 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 96 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 97 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 98 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 99 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 100 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 101 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 102 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 103 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 104 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 105 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 106 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 107 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 108 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 109 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 110 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 111 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 112 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 117 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 118 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 119 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 120 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 121 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 122 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 123 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 124 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 125 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 126 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 127 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 128 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 129 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 130 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 131 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 132 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 133 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 134 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 135 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 136 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 137 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 138 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 139 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 140 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 141 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 142 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 143 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 144 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 145 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 146 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 147 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 148 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 149 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 150 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 151 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 152 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 153 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 154 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 155 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 156 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 157 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 158 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 159 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 160 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 161 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 162 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 163 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 164 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 165 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 166 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 167 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 168 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 169 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 170 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 171 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 172 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 173 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 174 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 175 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 176 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 177 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 178 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 179 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 180 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 181 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 182 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 183 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 184 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 185 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 186 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 187 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 188 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 189 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 190 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 191 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 192 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 193 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 194 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 195 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 196 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 197 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 198 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 199 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 200 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 201 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 202 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 203 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 204 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 205 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 206 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 207 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 208 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 209 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 210 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 211 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 212 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 213 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 214 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 215 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 216 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 217 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 218 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 219 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 220 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 221 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 222 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 223 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 224 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 225 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 226 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 227 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 228 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 229 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 230 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 231 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 232 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 233 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 234 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 235 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 236 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 237 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 238 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 239 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 240 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 241 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 242 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 243 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 244 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 245 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 246 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 247 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 248 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 249 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 250 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 251 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 252 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 253 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 254 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 255 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 256 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 257 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 258 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 259 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 260 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 261 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 262 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 263 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 264 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 265 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 266 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 267 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 268 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 269 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 270 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 271 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 272 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 273 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 274 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 275 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 276 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 277 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 278 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 279 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 280 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 281 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 282 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 283 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 284 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 285 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 286 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 287 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 288 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 289 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 290 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 291 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 292 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 293 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 294 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 295 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 296 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 297 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 298 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 299 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 300 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 301 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 302 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 303 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 304 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 305 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 306 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 307 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 308 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 309 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 310 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 311 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 312 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 313 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 314 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 315 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 316 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 317 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 318 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 319 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 320 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 321 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 322 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 323 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 328 N N VAL A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 329 C CA VAL A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 330 C C VAL A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 331 O O VAL A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 332 C CB VAL A 44 -8.350 -17.346 22.709 1.00 0.00 +ATOM 333 C CG2 VAL A 44 -7.256 -17.008 21.666 1.00 0.00 +ATOM 334 C CG1 VAL A 44 -9.173 -16.078 23.015 1.00 0.00 +ATOM 335 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 336 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 337 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 338 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 339 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 340 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 341 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 342 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 343 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 344 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 345 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 346 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 347 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 348 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 349 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 350 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 351 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 352 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 353 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 354 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 355 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 356 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 357 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 358 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 359 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 360 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 361 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 362 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 363 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 364 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 365 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 366 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 367 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 368 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 369 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 370 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 371 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 372 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 373 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 378 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 379 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 380 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 381 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 382 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 383 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 384 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 385 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 386 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 387 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 388 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 389 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 390 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 391 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 392 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 393 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 394 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 395 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 400 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 401 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 402 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 403 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 404 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 405 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 406 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 407 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 408 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 409 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 410 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 411 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 412 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 413 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 414 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 415 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 416 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 417 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 418 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 419 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 420 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 421 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 422 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 423 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 424 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 425 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 426 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 427 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 428 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 429 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 430 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 431 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 432 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 433 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 434 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 435 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 436 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 437 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 438 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 443 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 444 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 445 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 446 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 447 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 448 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 449 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 450 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 451 N N GLY A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 452 C CA GLY A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 453 C C GLY A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 454 O O GLY A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 455 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 456 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 457 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 458 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 459 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 460 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 461 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 462 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 463 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 464 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 465 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 466 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 467 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 468 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 469 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 470 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 471 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 472 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 473 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 474 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 475 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 476 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 477 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 478 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 479 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 480 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 481 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 482 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 483 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 484 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 485 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 486 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 487 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 488 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 489 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 490 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 491 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 492 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 493 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 494 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 495 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 496 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 497 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 498 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 499 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 500 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 501 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 502 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 503 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 504 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 505 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 506 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 507 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 508 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 509 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 510 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 511 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 512 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 513 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 514 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 515 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 516 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 517 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 518 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 519 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 520 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 521 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 522 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 523 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 524 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 525 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 526 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 527 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 528 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 529 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 530 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 531 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 532 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 533 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 534 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 535 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 536 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 537 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 538 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 539 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 540 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 541 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 542 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 543 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 544 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 545 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 546 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 547 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 548 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 549 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 550 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 551 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 552 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 553 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 554 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 555 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 556 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 557 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 558 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 559 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 560 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 561 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 562 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 563 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 564 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 565 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 566 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 567 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 568 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 569 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 570 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 571 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 572 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 573 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 574 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 575 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 576 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 577 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 578 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 579 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 584 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 585 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 586 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 587 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 588 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 589 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 590 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 591 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 592 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 593 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 594 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 595 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 596 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 597 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 598 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 599 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 600 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo68_s20.cif b/soup/screen/mmcifs/denovo68_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ba2e955e59e47fe7e7a970876381d95b40d17562 --- /dev/null +++ b/soup/screen/mmcifs/denovo68_s20.cif @@ -0,0 +1,614 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 13 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 14 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 15 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 20 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 25 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 26 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 27 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 28 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 29 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 34 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 35 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 36 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 41 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 42 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 43 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 44 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 45 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 50 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 51 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 52 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 57 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 62 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 63 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 64 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 65 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 66 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 71 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 72 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 73 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 74 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 75 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 80 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 81 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 82 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 83 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 84 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 85 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 86 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 87 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 88 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 89 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 90 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 91 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 92 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 93 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 94 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 95 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 96 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 97 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 98 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 99 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 100 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 101 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 102 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 103 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 104 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 105 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 106 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 107 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 108 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 117 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 118 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 119 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 120 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 121 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 122 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 123 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 124 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 125 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 126 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 127 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 132 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 133 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 134 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 135 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 136 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 137 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 138 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 139 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 140 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 145 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 146 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 147 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 148 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 149 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 154 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 155 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 156 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 157 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 158 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 159 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 160 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 161 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 162 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 163 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 164 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 165 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 166 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 167 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 168 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 169 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 170 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 171 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 176 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 177 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 178 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 179 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 180 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 181 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 182 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 183 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 184 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 185 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 186 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 187 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 188 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 193 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 194 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 195 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 196 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 197 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 198 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 199 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 200 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 205 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 206 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 207 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 208 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 209 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 210 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 211 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 212 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 213 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 214 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 215 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 216 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 217 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 218 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 219 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 220 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 221 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 222 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 223 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 224 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 225 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 226 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 227 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 228 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 229 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 230 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 231 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 232 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 233 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 234 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 235 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 236 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 237 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 238 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 239 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 240 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 241 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 242 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 243 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 244 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 245 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 246 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 247 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 248 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 249 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 250 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 251 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 252 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 253 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 254 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 259 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 260 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 261 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 262 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 263 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 264 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 265 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 266 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 267 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 268 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 269 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 270 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 275 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 276 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 277 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 278 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 279 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 284 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 285 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 286 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 291 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 292 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 293 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 294 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 295 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 296 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 297 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 298 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 299 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 300 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 301 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 302 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 303 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 304 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 305 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 306 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 307 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 308 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 309 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 310 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 311 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 312 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 317 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 318 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 319 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 324 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 325 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 326 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 327 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 328 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 329 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 330 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 331 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 332 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 333 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 334 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 335 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 336 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 337 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 338 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 339 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 340 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 341 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 342 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 343 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 344 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 345 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 346 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 347 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 348 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 349 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 350 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 351 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 352 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 353 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 354 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 355 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 356 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 357 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 358 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 359 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 360 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 361 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 362 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 363 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 364 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 365 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 366 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 367 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 368 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 369 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 370 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 375 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 376 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 377 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 378 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 379 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 384 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 385 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 386 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 387 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 388 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 389 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 390 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 391 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 392 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 393 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 394 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 399 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 400 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 401 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 402 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 403 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 404 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 405 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 406 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 407 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 408 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 409 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 410 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 411 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 412 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 413 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 418 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 419 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 420 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 421 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 422 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 423 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 424 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 425 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 426 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 427 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 428 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 429 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 430 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 431 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 432 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 433 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 434 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 435 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 436 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 437 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 438 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 439 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 440 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 441 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 442 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 443 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 444 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 445 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 446 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 447 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 448 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 449 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 450 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 451 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 452 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 453 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 454 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 455 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 456 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 457 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 458 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 459 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 460 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 461 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 462 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 463 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 464 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 465 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 466 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 467 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 468 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 469 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 470 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 471 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 472 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 473 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 474 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 475 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 476 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 477 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 478 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 479 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 480 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 481 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 482 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 483 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 484 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 485 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 486 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 487 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 488 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 489 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 490 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 491 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 492 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 493 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 494 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 495 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 496 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 497 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 498 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 499 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 500 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 501 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 502 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 503 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 504 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 505 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 506 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 507 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 508 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 509 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 510 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 511 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 512 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 513 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 514 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 515 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 516 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 517 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 518 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 519 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 520 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 521 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 522 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 523 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 524 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 525 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 526 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 527 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 528 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 529 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 530 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 531 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 532 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 533 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 534 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 535 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 536 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 537 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 538 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 539 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 540 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 541 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 542 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 543 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 544 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 545 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 546 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 547 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 548 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 549 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 550 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 551 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 552 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 553 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 554 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 555 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 556 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 557 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 558 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 559 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 560 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 561 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 562 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 563 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 564 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 565 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 566 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 567 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 568 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 569 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 570 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 571 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 572 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 573 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 574 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 575 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 576 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 577 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 578 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 579 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 584 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 585 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 586 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 587 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 588 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 589 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 590 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 591 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 592 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 593 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 594 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 595 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 596 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 597 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 598 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo69_s20.cif b/soup/screen/mmcifs/denovo69_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..5487c47a11f0274f0ab721d5f4eb2be00c0682e1 --- /dev/null +++ b/soup/screen/mmcifs/denovo69_s20.cif @@ -0,0 +1,612 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 15 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 16 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 17 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 18 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 23 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 24 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 25 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 26 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 27 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 28 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 29 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 30 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 31 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 32 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 33 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 34 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 35 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 36 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 37 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 38 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 39 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 40 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 41 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 42 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 43 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 44 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 45 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 46 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 47 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 48 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 49 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 50 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 51 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 52 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 53 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 54 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 59 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 60 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 61 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 62 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 63 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 64 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 65 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 66 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 67 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 68 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 69 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 74 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 75 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 76 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 77 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 78 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 79 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 80 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 81 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 82 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 83 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 84 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 85 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 86 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 87 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 88 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 89 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 90 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 91 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 92 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 93 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 94 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 95 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 96 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 97 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 98 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 99 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 100 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 101 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 102 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 103 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 104 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 105 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 106 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 107 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 108 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 109 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 110 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 111 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 112 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 113 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 114 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 115 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 116 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 117 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 118 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 119 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 120 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 121 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 122 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 123 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 124 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 125 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 126 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 127 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 128 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 129 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 130 N N ASP A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 131 C CA ASP A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 132 C C ASP A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 133 O O ASP A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 134 C CB ASP A 16 10.240 3.844 8.815 1.00 0.00 +ATOM 135 C CG ASP A 16 8.958 3.135 9.126 1.00 0.00 +ATOM 136 O OD1 ASP A 16 8.034 3.106 8.316 1.00 0.00 +ATOM 137 O OD2 ASP A 16 8.636 2.820 10.506 1.00 0.00 +ATOM 138 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 139 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 140 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 141 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 142 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 143 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 144 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 145 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 146 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 147 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 148 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 149 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 150 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 151 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 152 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 153 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 154 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 155 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 156 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 157 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 158 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 159 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 160 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 161 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 162 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 163 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 164 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 165 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 166 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 167 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 168 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 169 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 170 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 171 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 172 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 173 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 174 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 175 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 176 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 177 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 178 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 179 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 180 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 181 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 182 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 183 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 184 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 185 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 186 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 187 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 188 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 189 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 190 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 191 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 192 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 193 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 194 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 195 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 196 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 197 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 198 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 199 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 200 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 201 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 202 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 203 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 204 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 205 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 206 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 207 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 208 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 209 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 210 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 211 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 212 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 213 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 214 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 215 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 216 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 217 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 218 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 219 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 220 N N PRO A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 221 C CA PRO A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 222 C C PRO A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 223 O O PRO A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 224 C CB PRO A 28 6.917 -23.099 20.131 1.00 0.00 +ATOM 225 C CG PRO A 28 7.675 -21.989 20.897 1.00 0.00 +ATOM 226 C CD PRO A 28 7.992 -22.524 22.298 1.00 0.00 +ATOM 227 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 228 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 229 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 230 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 231 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 232 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 233 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 234 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 235 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 236 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 237 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 238 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 239 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 240 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 241 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 242 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 243 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 244 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 245 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 246 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 247 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 248 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 249 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 250 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 251 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 252 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 253 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 254 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 255 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 256 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 257 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 258 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 259 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 260 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 261 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 262 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 263 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 264 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 265 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 266 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 267 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 268 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 269 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 270 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 271 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 272 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 273 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 274 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 275 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 276 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 277 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 278 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 279 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 280 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 281 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 282 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 283 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 284 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 285 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 286 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 287 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 288 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 289 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 290 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 291 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 292 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 293 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 294 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 295 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 296 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 297 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 298 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 299 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 300 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 301 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 302 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 303 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 304 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 305 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 306 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 307 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 308 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 309 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 310 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 311 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 312 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 313 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 314 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 315 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 316 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 317 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 318 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 319 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 320 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 321 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 322 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 323 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 324 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 325 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 326 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 327 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 328 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 329 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 330 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 331 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 332 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 333 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 334 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 335 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 336 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 337 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 338 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 339 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 340 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 341 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 342 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 343 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 344 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 345 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 346 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 347 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 348 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 349 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 350 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 351 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 352 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 353 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 354 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 355 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 356 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 357 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 358 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 359 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 360 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 361 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 362 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 363 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 364 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 365 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 366 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 367 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 368 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 369 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 370 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 371 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 372 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 373 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 374 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 375 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 376 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 377 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 378 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 379 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 380 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 381 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 382 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 383 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 384 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 385 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 386 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 387 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 388 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 389 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 390 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 391 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 392 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 393 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 394 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 395 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 396 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 397 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 398 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 399 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 400 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 401 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 402 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 403 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 404 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 405 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 406 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 407 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 408 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 409 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 410 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 411 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 412 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 413 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 414 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 415 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 416 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 417 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 418 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 419 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 420 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 421 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 422 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 423 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 424 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 425 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 426 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 427 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 428 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 429 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 430 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 431 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 432 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 433 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 434 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 435 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 436 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 437 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 438 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 439 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 440 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 441 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 442 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 443 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 444 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 445 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 446 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 447 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 448 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 449 N N ASP A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 450 C CA ASP A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 451 C C ASP A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 452 O O ASP A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 453 C CB ASP A 58 -31.842 -0.543 14.266 1.00 0.00 +ATOM 454 C CG ASP A 58 -31.418 -0.947 15.645 1.00 0.00 +ATOM 455 O OD1 ASP A 58 -30.240 -1.176 15.907 1.00 0.00 +ATOM 456 O OD2 ASP A 58 -32.412 -1.455 16.573 1.00 0.00 +ATOM 457 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 458 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 459 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 460 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 461 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 462 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 463 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 464 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 465 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 466 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 467 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 468 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 469 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 470 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 471 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 472 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 473 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 474 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 475 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 476 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 477 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 478 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 479 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 480 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 481 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 482 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 483 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 484 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 485 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 486 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 487 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 488 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 489 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 490 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 491 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 492 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 493 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 494 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 495 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 496 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 497 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 498 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 499 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 500 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 501 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 502 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 503 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 504 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 505 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 506 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 507 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 508 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 509 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 510 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 511 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 512 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 513 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 514 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 515 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 516 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 517 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 518 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 519 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 520 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 521 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 522 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 523 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 524 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 525 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 526 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 527 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 528 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 529 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 530 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 531 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 532 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 533 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 534 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 535 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 536 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 537 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 538 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 539 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 540 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 541 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 542 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 543 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 544 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 545 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 546 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 547 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 548 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 549 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 550 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 551 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 552 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 553 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 554 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 555 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 556 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 557 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 558 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 559 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 560 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 561 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 562 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 563 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 564 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 565 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 566 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 567 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 568 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 569 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 570 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 571 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 572 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 573 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 574 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 575 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 576 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 577 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 578 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 579 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 584 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 585 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 586 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 587 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 588 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 589 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 590 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 591 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 592 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 593 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 594 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 595 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 596 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo6_s20.cif b/soup/screen/mmcifs/denovo6_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..3f6097efec265e5bf6be1b636a8d5a2762d379c1 --- /dev/null +++ b/soup/screen/mmcifs/denovo6_s20.cif @@ -0,0 +1,610 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 17 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 18 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 19 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 20 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 21 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 26 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 27 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 28 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 29 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 30 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 31 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 32 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 33 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 34 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 35 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 36 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 37 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 38 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 39 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 40 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 41 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 42 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 43 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 44 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 45 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 46 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 47 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 48 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 49 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 50 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 51 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 52 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 53 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 54 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 59 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 60 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 61 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 62 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 63 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 64 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 65 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 66 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 67 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 68 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 69 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 70 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 71 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 72 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 73 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 74 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 75 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 76 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 77 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 78 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 79 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 80 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 81 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 82 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 83 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 84 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 85 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 86 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 87 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 88 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 89 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 90 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 91 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 92 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 93 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 98 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 99 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 100 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 101 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 102 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 103 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 104 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 105 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 106 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 107 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 108 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 109 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 110 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 111 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 112 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 113 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 114 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 115 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 116 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 121 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 122 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 123 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 124 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 125 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 130 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 131 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 132 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 133 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 134 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 135 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 136 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 137 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 138 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 139 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 140 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 141 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 142 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 143 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 144 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 145 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 146 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 147 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 148 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 149 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 150 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 151 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 152 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 153 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 154 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 155 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 156 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 157 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 158 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 159 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 160 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 161 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 162 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 163 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 164 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 165 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 166 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 167 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 168 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 169 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 170 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 171 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 172 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 173 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 174 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 175 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 176 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 177 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 178 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 179 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 180 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 181 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 182 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 183 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 184 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 185 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 186 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 187 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 188 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 189 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 190 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 191 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 192 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 193 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 194 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 195 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 196 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 197 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 198 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 199 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 200 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 201 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 202 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 203 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 204 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 205 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 206 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 207 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 208 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 209 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 210 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 211 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 212 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 213 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 214 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 215 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 216 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 217 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 218 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 219 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 220 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 221 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 222 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 223 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 224 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 225 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 226 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 227 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 228 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 229 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 230 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 231 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 232 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 233 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 234 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 235 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 236 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 237 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 238 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 239 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 240 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 241 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 242 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 243 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 244 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 245 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 246 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 247 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 248 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 249 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 250 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 251 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 252 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 253 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 254 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 255 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 256 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 257 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 258 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 259 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 260 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 261 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 262 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 263 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 264 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 265 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 266 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 267 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 268 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 269 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 270 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 271 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 272 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 273 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 274 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 275 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 276 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 277 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 278 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 279 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 280 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 281 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 282 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 283 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 284 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 285 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 286 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 287 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 288 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 289 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 290 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 291 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 292 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 293 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 294 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 295 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 296 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 297 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 298 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 299 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 300 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 301 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 302 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 303 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 304 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 305 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 306 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 307 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 308 N N ARG A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 309 C CA ARG A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 310 C C ARG A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 311 O O ARG A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 312 C CB ARG A 40 -1.598 -24.103 23.647 1.00 0.00 +ATOM 313 C CG ARG A 40 -1.753 -22.725 24.305 1.00 0.00 +ATOM 314 C CD ARG A 40 -2.521 -22.836 25.644 1.00 0.00 +ATOM 315 N NE ARG A 40 -3.686 -23.717 25.497 1.00 0.00 +ATOM 316 C CZ ARG A 40 -3.360 -25.020 26.257 1.00 0.00 +ATOM 317 N NH1 ARG A 40 -4.241 -25.538 27.024 1.00 0.00 +ATOM 318 N NH2 ARG A 40 -2.144 -25.779 25.935 1.00 0.00 +ATOM 319 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 320 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 321 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 322 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 323 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 324 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 325 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 326 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 327 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 328 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 329 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 330 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 331 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 332 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 333 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 334 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 335 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 336 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 337 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 338 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 339 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 340 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 341 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 342 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 343 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 344 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 345 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 346 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 347 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 348 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 349 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 350 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 351 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 352 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 353 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 354 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 355 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 356 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 357 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 358 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 359 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 360 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 361 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 362 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 363 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 364 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 365 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 366 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 367 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 368 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 369 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 370 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 371 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 372 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 373 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 374 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 375 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 376 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 377 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 378 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 379 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 380 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 381 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 382 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 383 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 384 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 385 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 386 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 387 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 388 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 389 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 390 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 391 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 392 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 393 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 394 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 395 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 396 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 397 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 398 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 399 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 400 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 401 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 402 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 403 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 404 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 405 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 406 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 407 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 408 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 409 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 410 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 411 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 412 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 413 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 414 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 415 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 416 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 417 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 418 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 419 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 420 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 421 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 422 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 423 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 424 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 425 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 426 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 427 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 428 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 429 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 430 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 431 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 432 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 433 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 434 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 435 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 436 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 437 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 438 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 439 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 440 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 441 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 442 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 443 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 444 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 445 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 446 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 447 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 448 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 449 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 450 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 451 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 452 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 453 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 454 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 455 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 456 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 457 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 458 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 459 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 460 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 461 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 462 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 463 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 464 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 465 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 466 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 467 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 468 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 469 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 470 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 471 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 472 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 473 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 474 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 475 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 476 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 477 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 478 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 479 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 480 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 481 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 482 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 483 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 484 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 485 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 486 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 487 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 488 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 489 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 490 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 491 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 492 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 493 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 494 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 495 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 496 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 497 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 498 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 499 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 500 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 501 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 502 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 503 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 504 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 505 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 506 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 507 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 508 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 509 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 510 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 511 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 512 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 513 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 514 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 515 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 516 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 517 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 518 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 519 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 520 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 521 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 522 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 523 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 524 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 525 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 526 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 527 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 528 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 529 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 530 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 531 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 532 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 533 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 534 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 535 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 536 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 537 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 538 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 539 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 540 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 541 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 542 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 543 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 544 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 545 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 546 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 547 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 548 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 549 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 550 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 551 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 552 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 553 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 554 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 555 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 556 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 557 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 558 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 559 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 560 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 561 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 562 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 563 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 564 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 565 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 566 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 571 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 572 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 573 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 574 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 575 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 576 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 577 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 578 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 579 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 580 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 581 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 582 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 583 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 584 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 585 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 586 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 587 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 588 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 589 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 590 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 591 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 592 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 593 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 594 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo70_s20.cif b/soup/screen/mmcifs/denovo70_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ba721107c9fa8a3ad9f4123f9a0f767dbc3f068c --- /dev/null +++ b/soup/screen/mmcifs/denovo70_s20.cif @@ -0,0 +1,585 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 10 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 11 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 12 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 13 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 18 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 19 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 20 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 21 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 22 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 23 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 24 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 25 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 26 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 27 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 28 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 29 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 30 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 31 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 32 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 33 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 34 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 35 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 36 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 37 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 38 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 43 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 44 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 45 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 46 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 47 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 48 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 49 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 50 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 51 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 52 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 53 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 54 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 55 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 56 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 57 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 58 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 59 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 60 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 61 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 62 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 63 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 64 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 65 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 66 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 67 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 68 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 69 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 70 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 71 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 72 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 73 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 74 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 75 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 76 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 77 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 78 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 79 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 80 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 81 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 82 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 83 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 84 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 85 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 86 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 87 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 88 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 89 N N SER A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 90 C CA SER A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 91 C C SER A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 92 O O SER A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 93 C CB SER A 15 8.904 3.909 3.860 1.00 0.00 +ATOM 94 O OG SER A 15 7.843 4.299 4.750 1.00 0.00 +ATOM 95 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 96 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 97 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 98 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 99 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 100 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 101 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 102 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 103 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 104 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 105 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 106 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 107 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 108 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 109 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 110 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 111 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 112 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 113 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 114 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 115 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 116 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 117 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 118 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 119 N N LYS A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 120 C CA LYS A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 121 C C LYS A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 122 O O LYS A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 123 C CB LYS A 20 15.949 -5.654 13.570 1.00 0.00 +ATOM 124 C CG LYS A 20 15.629 -4.406 14.440 1.00 0.00 +ATOM 125 C CD LYS A 20 15.471 -3.163 13.552 1.00 0.00 +ATOM 126 C CE LYS A 20 14.110 -2.499 13.844 1.00 0.00 +ATOM 127 N NZ LYS A 20 13.085 -3.043 12.944 1.00 0.00 +ATOM 128 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 129 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 130 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 131 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 132 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 133 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 134 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 135 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 136 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 137 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 138 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 139 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 140 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 141 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 142 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 143 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 144 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 145 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 146 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 147 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 148 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 149 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 150 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 151 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 152 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 153 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 154 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 155 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 156 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 157 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 158 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 159 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 160 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 161 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 162 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 163 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 164 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 165 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 166 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 167 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 168 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 169 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 170 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 171 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 172 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 173 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 174 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 175 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 176 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 177 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 178 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 179 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 180 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 181 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 182 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 183 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 184 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 185 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 186 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 187 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 188 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 189 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 190 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 191 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 192 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 193 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 194 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 195 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 196 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 197 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 198 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 199 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 200 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 201 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 202 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 203 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 204 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 205 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 206 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 207 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 208 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 209 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 210 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 211 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 212 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 213 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 214 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 215 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 216 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 217 N N GLY A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 218 C CA GLY A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 219 C C GLY A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 220 O O GLY A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 221 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 222 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 223 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 224 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 225 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 226 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 227 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 228 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 229 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 230 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 231 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 232 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 233 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 234 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 235 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 236 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 237 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 238 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 239 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 240 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 241 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 242 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 243 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 244 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 245 N N PRO A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 246 C CA PRO A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 247 C C PRO A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 248 O O PRO A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 249 C CB PRO A 37 -4.861 -27.509 13.653 1.00 0.00 +ATOM 250 C CG PRO A 37 -5.373 -28.928 13.995 1.00 0.00 +ATOM 251 C CD PRO A 37 -4.426 -29.525 15.042 1.00 0.00 +ATOM 252 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 253 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 254 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 255 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 256 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 257 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 258 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 259 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 260 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 261 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 262 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 263 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 264 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 265 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 266 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 267 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 268 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 269 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 270 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 271 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 272 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 273 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 274 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 275 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 276 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 277 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 278 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 279 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 280 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 281 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 282 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 283 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 284 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 285 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 286 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 287 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 288 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 289 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 290 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 291 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 292 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 293 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 294 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 295 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 296 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 297 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 298 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 299 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 300 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 301 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 302 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 303 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 304 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 305 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 310 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 311 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 312 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 313 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 314 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 315 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 316 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 317 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 318 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 319 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 320 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 321 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 322 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 323 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 324 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 325 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 326 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 327 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 328 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 329 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 330 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 331 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 332 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 333 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 334 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 335 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 336 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 337 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 338 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 339 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 340 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 341 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 342 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 343 N N ASP A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 344 C CA ASP A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 345 C C ASP A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 346 O O ASP A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 347 C CB ASP A 50 -16.464 -6.765 6.379 1.00 0.00 +ATOM 348 C CG ASP A 50 -16.999 -6.629 7.771 1.00 0.00 +ATOM 349 O OD1 ASP A 50 -16.434 -7.157 8.725 1.00 0.00 +ATOM 350 O OD2 ASP A 50 -18.379 -6.220 7.964 1.00 0.00 +ATOM 351 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 352 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 353 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 354 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 355 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 356 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 357 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 358 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 359 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 360 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 361 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 362 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 363 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 364 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 365 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 366 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 367 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 368 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 369 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 370 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 371 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 372 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 373 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 374 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 375 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 376 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 377 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 378 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 379 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 380 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 381 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 382 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 383 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 384 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 385 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 386 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 387 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 388 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 389 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 390 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 391 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 392 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 393 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 394 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 395 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 396 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 397 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 398 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 399 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 400 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 401 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 402 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 403 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 404 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 405 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 406 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 407 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 408 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 409 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 410 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 411 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 412 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 413 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 414 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 415 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 416 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 417 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 418 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 419 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 420 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 421 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 422 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 423 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 424 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 425 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 426 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 427 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 428 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 429 N N LYS A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 430 C CA LYS A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 431 C C LYS A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 432 O O LYS A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 433 C CB LYS A 62 -38.746 10.982 16.104 1.00 0.00 +ATOM 434 C CG LYS A 62 -38.785 11.702 17.481 1.00 0.00 +ATOM 435 C CD LYS A 62 -37.984 13.012 17.420 1.00 0.00 +ATOM 436 C CE LYS A 62 -38.880 14.177 17.889 1.00 0.00 +ATOM 437 N NZ LYS A 62 -39.575 14.767 16.738 1.00 0.00 +ATOM 438 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 439 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 440 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 441 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 442 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 443 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 444 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 445 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 446 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 447 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 448 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 449 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 450 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 451 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 452 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 453 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 454 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 455 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 456 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 457 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 458 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 459 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 460 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 461 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 462 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 463 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 464 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 465 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 466 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 467 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 468 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 469 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 470 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 471 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 472 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 473 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 474 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 475 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 476 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 481 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 482 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 483 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 484 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 485 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 486 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 487 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 488 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 489 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 490 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 491 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 492 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 493 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 494 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 495 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 496 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 497 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 498 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 499 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 500 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 501 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 502 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 503 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 504 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 505 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 506 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 507 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 508 N N GLU A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 509 C CA GLU A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 510 C C GLU A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 511 O O GLU A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 512 C CB GLU A 72 -26.650 9.755 20.932 1.00 0.00 +ATOM 513 C CG GLU A 72 -25.392 9.358 21.736 1.00 0.00 +ATOM 514 C CD GLU A 72 -25.525 7.913 22.248 1.00 0.00 +ATOM 515 O OE1 GLU A 72 -26.111 7.696 23.293 1.00 0.00 +ATOM 516 O OE2 GLU A 72 -24.721 6.883 21.671 1.00 0.00 +ATOM 517 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 518 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 519 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 520 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 521 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 522 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 523 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 524 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 525 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 526 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 527 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 528 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 529 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 530 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 531 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 532 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 533 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 534 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 535 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 536 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 537 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 538 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 539 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 540 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 545 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 550 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 551 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 552 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 553 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 554 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 555 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 556 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 557 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 558 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 559 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 560 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 561 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 562 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 563 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 564 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 565 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 566 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 567 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 568 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 569 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo71_s20.cif b/soup/screen/mmcifs/denovo71_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..563bec5a33846da893d45cd6ae2c436f02d1e603 --- /dev/null +++ b/soup/screen/mmcifs/denovo71_s20.cif @@ -0,0 +1,578 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 10 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 11 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 12 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 17 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 18 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 19 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 24 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 25 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 26 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 27 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 32 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 33 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 34 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 35 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 36 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 37 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 38 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 43 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 48 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 49 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 54 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 55 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 56 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 61 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 62 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 63 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 64 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 65 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 70 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 75 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 76 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 77 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 78 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 79 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 80 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 81 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 86 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 87 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 88 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 89 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 90 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 91 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 92 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 93 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 94 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 99 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 100 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 101 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 102 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 103 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 104 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 105 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 106 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 107 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 108 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 109 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 110 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 115 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 116 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 117 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 118 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 119 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 124 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 125 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 126 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 131 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 132 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 133 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 134 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 135 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 136 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 137 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 138 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 139 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 140 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 141 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 142 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 143 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 144 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 145 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 146 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 147 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 148 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 149 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 150 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 151 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 152 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 153 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 154 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 155 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 156 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 157 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 158 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 159 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 160 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 161 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 162 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 163 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 164 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 165 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 166 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 167 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 168 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 169 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 170 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 171 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 172 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 173 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 174 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 175 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 176 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 177 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 178 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 179 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 180 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 181 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 182 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 183 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 184 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 185 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 186 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 187 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 188 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 189 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 190 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 191 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 192 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 193 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 194 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 195 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 196 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 197 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 198 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 199 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 200 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 201 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 202 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 203 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 204 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 205 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 206 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 207 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 208 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 209 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 210 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 211 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 212 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 213 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 214 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 215 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 216 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 217 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 218 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 219 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 220 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 221 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 222 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 223 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 224 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 225 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 226 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 227 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 228 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 229 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 230 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 231 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 232 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 233 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 234 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 235 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 236 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 237 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 238 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 239 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 240 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 241 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 242 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 243 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 244 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 245 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 246 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 247 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 248 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 249 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 250 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 251 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 252 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 253 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 254 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 255 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 256 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 257 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 258 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 259 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 260 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 261 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 262 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 263 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 264 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 265 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 266 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 267 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 268 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 269 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 270 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 271 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 272 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 273 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 274 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 275 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 276 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 277 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 278 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 279 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 280 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 281 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 282 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 283 N N LYS A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 284 C CA LYS A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 285 C C LYS A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 286 O O LYS A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 287 C CB LYS A 43 -7.987 -23.115 20.836 1.00 0.00 +ATOM 288 C CG LYS A 43 -7.579 -23.334 22.320 1.00 0.00 +ATOM 289 C CD LYS A 43 -8.429 -22.447 23.242 1.00 0.00 +ATOM 290 C CE LYS A 43 -9.094 -23.328 24.320 1.00 0.00 +ATOM 291 N NZ LYS A 43 -10.411 -23.780 23.852 1.00 0.00 +ATOM 292 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 293 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 294 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 295 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 296 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 297 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 298 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 299 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 300 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 301 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 302 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 303 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 304 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 305 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 306 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 307 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 308 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 309 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 310 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 311 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 312 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 313 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 314 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 315 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 316 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 317 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 318 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 319 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 320 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 321 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 322 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 323 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 324 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 325 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 326 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 327 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 328 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 329 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 330 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 331 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 332 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 333 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 334 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 335 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 336 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 337 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 338 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 339 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 340 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 341 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 342 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 343 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 344 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 345 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 346 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 347 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 348 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 349 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 350 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 351 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 352 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 353 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 354 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 355 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 356 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 357 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 358 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 359 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 360 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 361 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 362 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 363 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 364 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 365 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 366 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 367 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 368 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 369 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 370 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 371 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 372 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 373 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 374 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 375 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 376 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 377 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 378 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 379 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 380 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 381 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 382 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 383 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 384 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 385 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 386 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 387 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 388 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 389 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 390 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 391 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 392 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 393 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 394 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 395 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 396 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 397 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 398 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 399 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 400 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 401 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 402 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 403 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 404 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 405 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 406 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 407 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 408 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 409 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 410 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 411 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 412 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 413 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 414 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 415 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 416 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 417 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 418 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 419 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 420 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 421 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 422 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 423 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 424 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 425 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 426 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 427 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 428 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 429 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 430 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 431 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 432 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 433 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 434 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 435 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 436 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 437 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 438 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 439 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 440 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 441 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 442 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 443 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 444 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 445 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 446 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 447 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 448 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 449 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 450 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 451 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 452 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 453 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 454 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 455 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 456 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 457 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 458 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 459 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 460 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 461 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 462 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 463 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 464 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 465 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 466 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 467 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 468 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 469 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 470 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 471 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 472 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 473 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 474 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 475 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 476 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 477 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 478 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 479 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 480 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 481 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 482 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 483 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 484 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 485 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 486 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 487 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 488 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 489 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 490 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 491 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 492 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 493 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 494 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 495 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 496 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 497 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 498 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 499 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 500 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 501 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 502 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 503 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 504 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 505 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 506 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 507 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 508 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 509 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 510 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 511 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 512 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 513 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 514 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 515 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 516 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 517 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 518 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 519 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 520 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 521 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 522 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 523 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 524 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 525 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 526 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 527 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 528 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 529 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 530 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 531 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 532 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 533 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 534 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 535 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 536 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 537 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 538 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 539 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 540 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 541 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 542 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 543 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 544 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 545 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 546 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 547 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 548 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 549 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 550 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 551 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 552 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 553 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 554 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 555 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 556 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 557 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 558 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 559 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 560 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 561 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 562 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo72_s20.cif b/soup/screen/mmcifs/denovo72_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..3459ec6da8f07907c0f4b0aff6fd58b1227d8d82 --- /dev/null +++ b/soup/screen/mmcifs/denovo72_s20.cif @@ -0,0 +1,599 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 11 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 12 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 13 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 14 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 15 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 16 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 17 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 18 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 19 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 20 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 21 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 22 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 23 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 24 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 25 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 26 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 31 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 32 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 37 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 38 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 39 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 40 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 41 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 42 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 43 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 44 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 45 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 46 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 47 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 48 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 49 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 50 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 51 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 52 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 53 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 54 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 55 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 56 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 57 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 58 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 59 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 60 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 61 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 62 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 63 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 64 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 65 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 66 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 67 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 68 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 69 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 70 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 71 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 72 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 73 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 74 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 75 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 76 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 77 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 78 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 79 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 80 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 81 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 82 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 83 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 84 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 85 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 86 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 87 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 88 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 89 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 90 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 91 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 92 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 93 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 94 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 95 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 96 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 97 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 98 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 99 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 100 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 101 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 102 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 103 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 104 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 105 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 106 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 107 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 108 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 109 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 110 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 111 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 112 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 113 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 114 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 115 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 116 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 117 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 122 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 123 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 124 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 125 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 126 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 127 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 128 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 129 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 130 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 131 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 132 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 133 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 134 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 135 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 136 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 137 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 138 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 139 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 140 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 141 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 142 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 143 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 144 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 145 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 146 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 147 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 148 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 149 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 150 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 151 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 152 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 153 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 154 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 155 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 156 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 157 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 158 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 159 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 160 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 161 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 162 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 163 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 164 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 165 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 166 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 167 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 168 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 169 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 170 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 171 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 172 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 173 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 174 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 175 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 176 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 177 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 178 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 179 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 180 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 181 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 182 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 183 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 184 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 185 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 186 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 187 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 188 N N ALA A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA ALA A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C ALA A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O ALA A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB ALA A 28 6.910 -23.114 20.133 1.00 0.00 +ATOM 193 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 194 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 195 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 196 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 197 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 198 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 199 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 200 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 201 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 202 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 203 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 204 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 205 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 206 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 207 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 208 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 209 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 210 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 211 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 212 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 213 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 214 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 215 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 216 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 217 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 218 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 219 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 220 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 221 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 222 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 223 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 224 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 225 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 226 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 227 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 228 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 229 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 230 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 231 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 232 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 233 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 234 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 235 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 236 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 237 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 238 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 239 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 240 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 241 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 242 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 243 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 244 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 245 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 246 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 247 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 248 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 249 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 250 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 251 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 252 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 253 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 254 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 255 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 256 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 257 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 258 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 259 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 260 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 261 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 262 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 263 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 264 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 265 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 266 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 267 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 268 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 269 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 270 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 271 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 272 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 273 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 274 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 275 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 276 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 277 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 278 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 279 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 284 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 285 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 286 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 287 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 288 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 289 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 290 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 291 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 292 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 293 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 294 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 295 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 296 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 297 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 298 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 299 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 300 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 301 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 302 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 303 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 304 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 305 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 306 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 307 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 308 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 309 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 310 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 311 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 312 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 313 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 314 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 315 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 316 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 317 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 318 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 319 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 320 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 321 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 322 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 323 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 324 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 325 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 326 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 327 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 328 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 329 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 330 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 331 N N VAL A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 332 C CA VAL A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 333 C C VAL A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 334 O O VAL A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 335 C CB VAL A 48 -15.018 -11.093 10.808 1.00 0.00 +ATOM 336 C CG2 VAL A 48 -15.606 -10.475 12.101 1.00 0.00 +ATOM 337 C CG1 VAL A 48 -15.515 -10.291 9.588 1.00 0.00 +ATOM 338 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 339 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 340 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 341 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 342 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 343 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 344 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 345 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 346 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 347 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 348 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 349 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 350 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 351 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 352 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 353 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 354 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 355 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 356 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 357 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 358 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 359 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 360 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 361 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 362 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 363 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 364 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 365 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 366 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 367 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 368 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 369 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 370 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 371 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 372 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 373 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 374 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 375 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 376 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 377 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 378 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 379 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 380 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 381 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 382 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 383 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 384 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 385 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 386 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 387 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 388 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 389 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 390 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 391 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 392 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 393 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 394 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 395 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 396 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 397 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 398 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 399 N N GLU A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 400 C CA GLU A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 401 C C GLU A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 402 O O GLU A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 403 C CB GLU A 57 -27.239 0.167 15.289 1.00 0.00 +ATOM 404 C CG GLU A 57 -26.742 1.612 15.510 1.00 0.00 +ATOM 405 C CD GLU A 57 -27.901 2.606 15.315 1.00 0.00 +ATOM 406 O OE1 GLU A 57 -28.172 3.000 14.195 1.00 0.00 +ATOM 407 O OE2 GLU A 57 -28.449 3.282 16.446 1.00 0.00 +ATOM 408 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 409 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 410 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 411 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 412 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 413 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 414 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 415 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 416 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 417 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 418 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 419 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 420 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 421 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 422 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 423 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 424 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 425 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 426 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 427 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 428 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 429 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 430 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 431 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 432 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 433 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 434 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 435 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 436 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 437 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 438 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 439 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 440 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 441 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 442 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 443 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 444 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 445 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 446 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 447 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 448 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 449 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 450 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 451 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 452 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 453 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 454 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 455 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 456 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 457 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 458 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 459 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 460 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 461 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 462 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 463 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 464 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 465 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 466 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 467 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 468 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 469 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 470 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 471 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 472 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 473 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 474 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 475 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 476 N N ARG A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 477 C CA ARG A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 478 C C ARG A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 479 O O ARG A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 480 C CB ARG A 67 -28.346 15.591 19.150 1.00 0.00 +ATOM 481 C CG ARG A 67 -29.747 15.276 19.694 1.00 0.00 +ATOM 482 C CD ARG A 67 -29.904 15.789 21.145 1.00 0.00 +ATOM 483 N NE ARG A 67 -28.714 15.460 21.939 1.00 0.00 +ATOM 484 C CZ ARG A 67 -27.957 16.783 22.181 1.00 0.00 +ATOM 485 N NH1 ARG A 67 -27.511 17.048 23.349 1.00 0.00 +ATOM 486 N NH2 ARG A 67 -27.556 17.622 21.044 1.00 0.00 +ATOM 487 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 488 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 489 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 490 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 491 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 492 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 493 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 494 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 495 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 496 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 497 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 498 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 499 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 500 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 501 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 502 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 503 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 504 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 505 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 506 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 507 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 508 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 509 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 510 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 511 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 512 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 513 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 514 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 515 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 516 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 517 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 518 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 519 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 520 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 521 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 522 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 523 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 524 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 525 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 526 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 527 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 528 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 529 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 530 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 531 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 532 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 533 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 534 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 535 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 536 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 537 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 538 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 539 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 540 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 541 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 542 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 543 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 544 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 545 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 546 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 547 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 548 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 549 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 550 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 551 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 552 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 553 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 554 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 555 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 556 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 557 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 558 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 559 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 560 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 561 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 562 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 563 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 564 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 565 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 566 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 567 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 568 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 569 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 570 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 571 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 572 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 573 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 574 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 575 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 576 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 577 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 578 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 579 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 580 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 581 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 582 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 583 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo73_s20.cif b/soup/screen/mmcifs/denovo73_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ad80874ec371fcd4b1071ddc2034d8bf190c0b8c --- /dev/null +++ b/soup/screen/mmcifs/denovo73_s20.cif @@ -0,0 +1,598 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 18 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 19 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 20 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 25 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 30 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 31 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 32 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 33 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 34 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 35 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 36 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 37 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 38 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 43 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 44 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 45 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 46 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 47 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 48 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 49 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 50 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 51 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 52 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 53 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 54 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 55 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 60 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 61 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 62 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 63 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 64 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 69 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 70 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 71 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 72 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 73 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 74 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 75 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 80 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 81 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 82 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 83 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 88 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 89 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 90 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 91 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 92 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 93 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 94 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 95 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 96 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 97 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 98 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 99 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 100 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 101 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 102 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 103 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 104 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 105 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 106 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 107 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 108 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 109 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 110 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 111 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 112 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 117 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 118 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 119 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 124 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 125 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 126 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 127 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 128 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 129 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 130 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 131 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 132 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 133 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 134 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 135 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 136 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 137 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 142 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 143 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 144 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 145 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 146 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 147 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 148 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 149 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 150 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 151 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 152 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 153 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 154 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 155 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 156 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 157 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 158 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 159 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 160 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 161 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 162 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 163 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 164 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 165 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 166 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 167 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 168 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 169 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 170 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 171 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 176 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 177 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 178 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 179 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 184 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 185 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 186 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 187 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 188 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 189 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 190 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 191 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 200 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 201 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 202 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 203 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 204 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 205 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 206 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 207 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 208 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 209 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 210 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 211 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 212 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 213 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 214 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 215 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 216 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 221 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 222 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 223 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 224 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 225 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 226 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 227 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 228 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 229 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 230 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 231 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 232 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 233 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 234 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 235 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 236 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 237 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 238 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 239 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 240 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 241 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 242 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 243 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 244 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 245 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 246 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 247 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 252 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 253 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 254 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 255 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 256 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 257 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 258 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 259 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 260 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 261 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 262 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 263 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 264 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 269 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 270 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 271 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 272 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 273 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 274 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 275 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 276 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 277 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 278 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 279 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 280 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 281 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 282 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 291 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 292 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 293 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 294 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 295 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 296 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 297 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 298 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 299 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 300 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 301 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 302 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 303 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 304 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 305 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 306 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 307 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 308 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 309 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 310 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 311 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 312 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 313 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 314 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 315 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 316 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 317 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 318 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 319 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 320 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 321 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 322 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 323 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 324 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 325 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 326 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 327 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 328 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 329 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 330 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 331 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 332 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 333 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 334 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 335 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 336 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 337 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 338 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 339 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 340 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 341 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 342 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 343 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 344 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 345 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 346 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 347 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 348 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 349 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 350 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 351 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 352 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 353 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 354 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 355 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 356 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 357 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 358 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 359 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 360 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 361 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 362 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 363 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 368 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 369 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 370 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 371 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 372 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 373 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 374 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 375 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 376 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 377 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 378 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 379 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 380 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 381 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 382 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 383 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 384 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 385 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 386 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 387 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 388 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 389 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 390 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 391 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 392 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 393 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 394 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 395 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 396 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 397 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 398 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 399 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 400 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 401 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 402 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 403 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 404 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 405 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 406 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 407 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 408 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 409 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 410 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 411 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 412 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 413 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 414 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 415 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 416 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 417 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 418 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 419 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 420 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 421 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 422 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 423 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 424 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 425 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 426 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 427 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 428 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 429 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 430 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 431 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 432 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 433 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 434 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 435 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 436 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 437 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 438 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 439 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 440 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 441 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 442 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 443 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 444 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 445 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 446 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 447 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 448 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 449 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 450 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 451 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 452 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 453 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 454 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 455 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 456 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 457 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 458 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 459 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 460 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 461 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 462 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 463 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 464 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 465 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 466 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 467 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 468 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 469 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 470 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 471 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 472 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 473 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 474 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 475 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 476 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 477 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 478 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 479 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 480 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 481 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 482 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 483 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 484 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 485 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 486 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 487 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 488 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 489 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 490 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 491 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 492 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 493 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 494 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 495 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 496 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 497 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 498 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 499 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 500 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 501 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 502 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 503 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 504 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 505 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 506 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 507 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 508 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 509 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 510 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 511 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 512 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 513 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 514 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 515 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 516 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 517 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 518 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 519 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 520 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 521 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 522 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 523 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 524 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 525 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 526 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 527 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 528 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 529 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 530 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 531 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 532 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 533 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 534 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 535 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 536 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 537 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 538 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 539 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 540 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 541 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 542 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 543 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 544 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 545 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 546 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 547 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 548 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 549 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 550 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 551 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 552 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 553 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 554 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 555 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 556 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 557 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 558 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 559 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 560 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 561 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 562 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 563 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 564 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 565 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 566 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 567 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 568 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 569 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 570 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 571 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 572 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 573 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 574 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 575 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 576 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 577 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 578 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 579 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 580 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 581 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 582 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo74_s20.cif b/soup/screen/mmcifs/denovo74_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..edf695a68f218320091531553fde4942f01e79c3 --- /dev/null +++ b/soup/screen/mmcifs/denovo74_s20.cif @@ -0,0 +1,611 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 12 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 13 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 14 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 19 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 20 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 21 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 26 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 27 N N ALA A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA ALA A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C ALA A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O ALA A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB ALA A 5 3.597 6.153 -9.669 1.00 0.00 +ATOM 32 N N GLU A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 33 C CA GLU A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 34 C C GLU A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 35 O O GLU A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 36 C CB GLU A 6 -0.401 4.426 -7.315 1.00 0.00 +ATOM 37 C CG GLU A 6 0.835 3.661 -7.836 1.00 0.00 +ATOM 38 C CD GLU A 6 1.672 3.139 -6.654 1.00 0.00 +ATOM 39 O OE1 GLU A 6 2.495 3.867 -6.132 1.00 0.00 +ATOM 40 O OE2 GLU A 6 1.697 1.740 -6.371 1.00 0.00 +ATOM 41 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 46 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 47 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 48 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 49 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 54 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 55 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 56 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 57 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 58 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 63 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 64 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 65 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 66 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 67 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 68 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 69 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 74 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 75 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 76 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 77 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 78 N N LYS A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 79 C CA LYS A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 80 C C LYS A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 81 O O LYS A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 82 C CB LYS A 12 1.335 -3.486 1.685 1.00 0.00 +ATOM 83 C CG LYS A 12 0.808 -2.284 0.851 1.00 0.00 +ATOM 84 C CD LYS A 12 -0.016 -1.340 1.738 1.00 0.00 +ATOM 85 C CE LYS A 12 0.549 0.091 1.620 1.00 0.00 +ATOM 86 N NZ LYS A 12 1.568 0.312 2.654 1.00 0.00 +ATOM 87 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 92 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 93 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 94 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 95 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 100 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 101 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 102 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 103 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 104 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 105 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 106 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 111 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 112 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 113 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 114 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 115 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 120 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 121 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 122 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 127 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 128 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 129 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 130 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 131 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 132 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 133 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 134 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 135 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 136 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 137 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 138 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 139 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 140 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 141 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 142 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 143 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 144 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 145 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 150 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 151 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 152 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 153 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 154 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 155 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 156 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 157 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 158 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 159 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 160 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 161 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 162 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 163 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 164 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 165 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 166 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 167 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 168 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 169 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 170 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 171 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 172 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 173 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 174 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 175 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 176 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 181 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 182 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 183 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 184 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 185 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 186 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 187 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 188 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 189 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 190 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 191 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 192 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 193 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 194 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 195 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 196 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 197 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 198 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 199 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 200 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 201 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 202 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 203 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 204 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 205 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 206 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 207 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 208 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 209 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 210 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 211 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 212 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 213 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 214 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 215 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 216 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 217 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 218 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 219 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 224 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 225 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 226 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 227 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 228 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 229 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 230 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 231 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 232 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 233 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 234 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 235 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 236 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 237 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 238 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 239 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 240 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 241 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 242 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 247 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 248 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 249 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 250 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 251 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 252 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 253 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 254 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 255 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 256 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 257 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 258 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 259 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 260 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 261 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 262 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 263 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 264 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 265 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 266 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 267 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 268 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 269 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 270 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 271 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 272 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 273 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 274 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 275 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 276 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 277 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 278 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 279 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 280 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 281 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 282 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 283 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 284 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 285 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 286 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 287 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 288 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 289 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 290 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 291 N N VAL A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 292 C CA VAL A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 293 C C VAL A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 294 O O VAL A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 295 C CB VAL A 41 -3.147 -19.684 23.370 1.00 0.00 +ATOM 296 C CG2 VAL A 41 -3.581 -18.422 22.583 1.00 0.00 +ATOM 297 C CG1 VAL A 41 -2.995 -19.326 24.862 1.00 0.00 +ATOM 298 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 303 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 304 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 305 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 306 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 307 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 308 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 309 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 310 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 311 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 312 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 313 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 314 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 315 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 316 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 317 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 318 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 319 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 320 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 321 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 322 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 323 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 324 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 325 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 326 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 327 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 328 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 329 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 330 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 331 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 332 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 333 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 334 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 335 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 336 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 337 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 338 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 339 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 340 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 341 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 342 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 343 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 344 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 345 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 346 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 347 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 348 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 349 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 350 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 351 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 352 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 353 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 354 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 355 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 356 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 357 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 358 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 359 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 360 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 361 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 362 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 363 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 364 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 365 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 366 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 367 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 368 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 369 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 370 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 371 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 372 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 373 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 374 N N THR A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA THR A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C THR A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O THR A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB THR A 52 -18.751 -1.718 9.875 1.00 0.00 +ATOM 379 O OG1 THR A 52 -20.024 -1.391 10.463 1.00 0.00 +ATOM 380 C CG2 THR A 52 -17.638 -1.496 10.919 1.00 0.00 +ATOM 381 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 382 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 383 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 384 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 385 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 386 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 387 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 388 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 389 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 390 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 391 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 392 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 393 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 394 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 395 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 396 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 397 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 398 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 399 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 400 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 401 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 402 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 403 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 404 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 405 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 406 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 407 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 408 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 409 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 410 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 411 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 412 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 413 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 414 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 415 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 416 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 417 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 418 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 419 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 420 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 421 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 422 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 423 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 424 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 425 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 426 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 427 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 428 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 429 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 430 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 431 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 432 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 433 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 434 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 435 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 436 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 437 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 438 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 439 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 440 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 441 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 442 N N ASP A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 443 C CA ASP A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 444 C C ASP A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 445 O O ASP A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 446 C CB ASP A 61 -34.005 9.662 19.173 1.00 0.00 +ATOM 447 C CG ASP A 61 -32.833 10.251 18.451 1.00 0.00 +ATOM 448 O OD1 ASP A 61 -32.982 11.125 17.600 1.00 0.00 +ATOM 449 O OD2 ASP A 61 -31.568 9.539 18.451 1.00 0.00 +ATOM 450 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 451 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 452 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 453 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 454 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 455 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 456 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 457 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 458 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 459 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 460 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 461 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 462 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 463 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 464 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 465 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 466 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 467 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 468 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 469 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 470 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 471 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 472 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 473 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 474 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 475 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 476 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 477 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 478 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 479 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 480 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 481 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 482 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 483 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 484 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 485 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 486 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 487 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 488 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 489 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 490 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 491 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 492 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 493 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 494 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 495 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 496 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 497 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 498 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 499 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 500 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 501 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 502 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 503 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 504 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 505 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 506 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 507 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 508 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 509 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 510 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 511 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 512 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 513 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 514 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 515 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 516 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 517 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 518 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 519 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 520 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 521 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 522 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 523 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 524 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 525 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 526 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 527 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 528 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 529 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 530 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 531 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 532 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 533 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 534 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 535 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 536 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 537 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 538 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 539 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 540 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 541 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 542 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 543 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 544 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 545 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 546 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 547 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 548 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 549 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 550 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 551 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 552 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 553 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 554 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 555 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 556 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 557 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 558 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 559 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 560 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 561 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 562 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 563 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 564 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 565 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 566 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 567 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 568 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 569 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 570 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 571 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 572 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 573 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 574 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 575 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 576 N N GLY A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 577 C CA GLY A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 578 C C GLY A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 579 O O GLY A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 580 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 581 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 582 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 583 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 584 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 585 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 586 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 587 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 588 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 589 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 590 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 591 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 592 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 593 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 594 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 595 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo75_s20.cif b/soup/screen/mmcifs/denovo75_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ece7be8c71c4453dc003a681a770f7d9c1651793 --- /dev/null +++ b/soup/screen/mmcifs/denovo75_s20.cif @@ -0,0 +1,608 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 13 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 14 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 15 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 20 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 25 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 26 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 27 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 32 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 33 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 34 N N LYS A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA LYS A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C LYS A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O LYS A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB LYS A 6 -0.416 4.481 -7.379 1.00 0.00 +ATOM 39 C CG LYS A 6 0.427 3.292 -6.837 1.00 0.00 +ATOM 40 C CD LYS A 6 1.896 3.445 -7.260 1.00 0.00 +ATOM 41 C CE LYS A 6 2.794 3.374 -6.007 1.00 0.00 +ATOM 42 N NZ LYS A 6 3.004 4.723 -5.467 1.00 0.00 +ATOM 43 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 48 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 49 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 50 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 51 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 52 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 57 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 62 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 63 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 64 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 65 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 66 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 71 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 72 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 73 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 74 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 75 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 76 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 77 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 78 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 79 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 80 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 81 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 82 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 83 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 84 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 85 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 86 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 87 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 88 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 93 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 94 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 95 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 100 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 101 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 102 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 103 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 104 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 105 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 106 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 111 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 116 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 117 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 118 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 119 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 120 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 121 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 122 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 123 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 124 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 125 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 126 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 127 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 132 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 133 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 134 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 135 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 136 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 137 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 138 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 143 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 144 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 145 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 146 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 147 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 148 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 149 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 150 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 151 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 152 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 153 N N SER A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA SER A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C SER A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O SER A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB SER A 21 11.779 -5.743 15.973 1.00 0.00 +ATOM 158 O OG SER A 21 11.813 -4.769 14.915 1.00 0.00 +ATOM 159 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 160 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 161 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 162 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 163 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 164 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 165 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 166 N N LYS A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 167 C CA LYS A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 168 C C LYS A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 169 O O LYS A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 170 C CB LYS A 23 7.043 -6.119 13.855 1.00 0.00 +ATOM 171 C CG LYS A 23 6.859 -6.263 12.318 1.00 0.00 +ATOM 172 C CD LYS A 23 5.868 -7.395 12.005 1.00 0.00 +ATOM 173 C CE LYS A 23 4.745 -6.850 11.100 1.00 0.00 +ATOM 174 N NZ LYS A 23 3.633 -6.359 11.925 1.00 0.00 +ATOM 175 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 176 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 177 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 178 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 179 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 180 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 181 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 182 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 183 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 184 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 185 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 186 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 187 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 188 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 189 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 190 N N PRO A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 191 C CA PRO A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 192 C C PRO A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 193 O O PRO A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 194 C CB PRO A 26 8.106 -16.633 17.589 1.00 0.00 +ATOM 195 C CG PRO A 26 8.695 -15.310 18.133 1.00 0.00 +ATOM 196 C CD PRO A 26 7.533 -14.329 18.323 1.00 0.00 +ATOM 197 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 202 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 203 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 204 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 205 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 206 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 207 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 208 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 209 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 210 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 211 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 212 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 213 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 214 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 215 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 216 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 217 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 218 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 219 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 220 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 221 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 222 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 223 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 224 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 225 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 226 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 227 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 232 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 233 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 234 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 235 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 236 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 237 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 238 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 239 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 240 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 241 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 242 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 243 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 244 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 245 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 246 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 247 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 248 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 249 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 250 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 251 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 252 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 253 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 254 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 255 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 256 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 257 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 258 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 259 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 260 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 261 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 262 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 263 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 264 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 265 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 266 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 267 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 268 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 269 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 270 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 271 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 272 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 273 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 274 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 275 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 276 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 277 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 278 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 279 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 280 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 281 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 282 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 283 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 288 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 289 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 290 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 291 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 292 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 293 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 294 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 295 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 296 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 297 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 298 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 299 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 300 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 301 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 302 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 303 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 304 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 305 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 306 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 307 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 308 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 309 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 310 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 311 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 312 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 313 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 314 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 315 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 316 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 317 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 318 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 319 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 320 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 321 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 322 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 323 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 324 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 325 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 326 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 327 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 328 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 329 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 330 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 331 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 332 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 333 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 334 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 335 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 336 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 337 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 338 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 339 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 340 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 341 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 342 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 343 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 344 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 345 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 346 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 347 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 348 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 349 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 350 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 351 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 352 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 353 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 354 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 355 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 356 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 357 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 358 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 359 N N SER A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 360 C CA SER A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 361 C C SER A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 362 O O SER A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 363 C CB SER A 48 -15.004 -11.032 10.829 1.00 0.00 +ATOM 364 O OG SER A 48 -15.481 -10.337 11.994 1.00 0.00 +ATOM 365 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 366 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 367 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 368 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 369 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 370 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 371 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 372 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 373 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 374 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 375 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 376 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 377 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 378 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 379 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 380 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 381 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 382 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 383 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 384 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 385 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 386 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 387 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 388 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 389 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 390 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 391 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 392 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 393 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 394 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 395 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 396 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 397 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 398 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 399 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 400 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 401 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 402 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 403 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 404 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 405 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 406 N N GLU A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 407 C CA GLU A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 408 C C GLU A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 409 O O GLU A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 410 C CB GLU A 54 -23.997 -0.954 4.275 1.00 0.00 +ATOM 411 C CG GLU A 54 -24.263 -2.475 4.293 1.00 0.00 +ATOM 412 C CD GLU A 54 -25.496 -2.787 5.160 1.00 0.00 +ATOM 413 O OE1 GLU A 54 -25.367 -2.918 6.363 1.00 0.00 +ATOM 414 O OE2 GLU A 54 -26.708 -3.210 4.536 1.00 0.00 +ATOM 415 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 416 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 417 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 418 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 419 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 420 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 421 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 422 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 423 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 424 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 425 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 426 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 427 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 428 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 429 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 430 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 431 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 432 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 433 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 434 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 435 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 436 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 437 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 438 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 443 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 444 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 445 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 446 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 447 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 448 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 449 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 450 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 451 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 452 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 453 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 454 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 455 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 456 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 457 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 458 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 459 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 460 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 461 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 462 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 463 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 464 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 465 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 466 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 467 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 468 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 469 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 470 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 471 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 472 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 473 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 474 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 475 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 476 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 477 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 478 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 479 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 480 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 481 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 482 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 483 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 484 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 485 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 486 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 487 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 488 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 489 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 490 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 491 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 492 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 493 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 494 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 495 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 496 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 497 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 498 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 499 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 500 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 501 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 502 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 503 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 504 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 505 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 506 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 507 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 508 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 509 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 510 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 511 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 512 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 513 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 514 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 515 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 516 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 517 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 518 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 519 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 520 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 521 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 522 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 523 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 524 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 525 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 526 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 527 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 528 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 529 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 530 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 531 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 532 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 533 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 534 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 535 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 536 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 537 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 538 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 539 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 540 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 541 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 542 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 543 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 544 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 545 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 546 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 547 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 548 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 549 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 550 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 551 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 552 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 553 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 554 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 555 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 556 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 557 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 558 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 559 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 560 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 561 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 562 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 563 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 564 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 565 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 566 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 567 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 568 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 569 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 570 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 571 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 572 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 573 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 574 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 575 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 576 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 577 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 578 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 579 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 580 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 581 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 582 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 583 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 584 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 585 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 586 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 587 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 588 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 589 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 590 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 591 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 592 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo76_s20.cif b/soup/screen/mmcifs/denovo76_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c7379f32d2d335bfb7b315a6d9b23dffe35e7136 --- /dev/null +++ b/soup/screen/mmcifs/denovo76_s20.cif @@ -0,0 +1,597 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 11 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 12 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 13 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 14 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 15 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 16 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 17 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 22 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 23 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 24 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 29 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 30 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 31 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 32 N N GLY A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 33 C CA GLY A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 34 C C GLY A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 35 O O GLY A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 36 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 41 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 42 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 47 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 48 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 49 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 50 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 55 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 56 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 61 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 62 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 63 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 68 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 69 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 74 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 75 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 76 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 77 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 78 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 79 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 80 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 81 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 82 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 83 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 84 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 89 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 90 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 91 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 92 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 93 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 94 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 95 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 96 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 97 N N ALA A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA ALA A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C ALA A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O ALA A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB ALA A 15 8.879 3.915 3.899 1.00 0.00 +ATOM 102 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 107 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 108 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 109 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 110 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 111 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 112 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 113 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 114 N N GLY A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 115 C CA GLY A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 116 C C GLY A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 117 O O GLY A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 118 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 119 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 120 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 121 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 122 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 123 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 124 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 125 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 126 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 127 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 128 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 129 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 130 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 131 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 132 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 133 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 134 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 135 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 136 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 137 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 138 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 139 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 140 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 141 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 142 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 143 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 144 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 145 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 146 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 147 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 148 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 149 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 150 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 151 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 152 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 153 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 154 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 155 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 156 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 157 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 158 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 159 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 160 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 161 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 162 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 163 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 164 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 165 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 166 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 167 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 168 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 169 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 170 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 171 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 172 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 173 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 174 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 175 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 176 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 177 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 178 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 179 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 180 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 181 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 182 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 183 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 184 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 185 N N SER A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 186 C CA SER A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 187 C C SER A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 188 O O SER A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 189 C CB SER A 28 6.906 -23.129 20.089 1.00 0.00 +ATOM 190 O OG SER A 28 7.456 -22.561 21.291 1.00 0.00 +ATOM 191 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 192 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 193 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 194 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 195 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 196 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 197 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 198 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 199 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 200 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 201 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 202 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 203 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 204 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 205 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 206 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 207 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 208 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 209 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 210 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 211 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 212 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 213 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 214 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 215 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 216 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 217 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 218 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 219 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 220 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 221 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 222 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 223 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 224 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 225 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 226 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 227 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 228 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 229 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 230 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 231 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 232 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 233 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 234 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 235 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 236 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 237 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 238 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 239 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 240 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 241 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 242 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 243 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 244 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 245 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 246 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 247 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 248 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 249 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 250 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 251 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 252 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 253 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 254 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 255 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 256 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 257 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 258 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 259 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 260 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 261 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 262 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 263 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 264 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 265 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 266 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 267 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 268 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 269 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 270 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 271 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 272 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 273 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 274 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 275 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 276 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 277 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 278 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 279 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 280 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 281 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 282 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 283 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 284 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 285 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 286 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 287 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 288 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 289 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 290 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 291 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 292 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 293 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 294 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 295 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 296 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 297 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 298 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 299 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 300 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 301 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 302 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 303 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 304 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 305 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 306 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 307 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 308 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 309 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 310 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 311 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 312 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 313 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 314 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 315 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 316 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 317 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 318 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 319 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 320 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 321 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 322 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 323 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 324 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 325 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 326 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 327 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 328 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 329 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 330 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 331 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 332 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 333 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 334 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 335 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 336 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 337 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 338 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 339 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 340 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 341 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 342 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 343 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 344 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 345 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 346 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 347 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 348 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 349 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 350 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 351 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 352 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 353 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 354 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 355 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 356 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 357 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 358 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 359 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 360 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 361 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 362 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 363 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 364 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 365 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 366 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 367 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 368 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 369 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 370 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 371 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 372 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 373 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 374 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 375 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 376 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 377 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 378 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 379 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 380 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 381 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 382 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 383 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 384 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 385 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 386 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 387 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 388 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 389 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 390 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 391 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 392 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 393 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 394 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 395 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 396 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 397 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 398 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 399 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 400 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 401 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 402 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 403 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 404 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 405 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 406 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 407 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 408 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 409 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 410 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 411 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 412 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 413 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 414 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 415 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 416 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 417 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 418 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 419 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 420 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 421 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 422 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 423 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 424 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 425 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 426 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 427 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 428 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 429 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 430 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 431 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 432 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 433 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 434 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 435 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 436 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 437 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 438 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 439 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 440 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 441 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 442 N N PRO A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 443 C CA PRO A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 444 C C PRO A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 445 O O PRO A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 446 C CB PRO A 64 -33.048 15.378 17.131 1.00 0.00 +ATOM 447 C CG PRO A 64 -32.745 14.810 18.538 1.00 0.00 +ATOM 448 C CD PRO A 64 -31.446 15.457 19.030 1.00 0.00 +ATOM 449 N N ARG A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA ARG A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C ARG A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O ARG A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 C CB ARG A 65 -32.895 10.628 18.629 1.00 0.00 +ATOM 454 C CG ARG A 65 -33.429 10.803 17.200 1.00 0.00 +ATOM 455 C CD ARG A 65 -32.535 10.056 16.182 1.00 0.00 +ATOM 456 N NE ARG A 65 -31.116 10.294 16.473 1.00 0.00 +ATOM 457 C CZ ARG A 65 -30.549 8.976 17.041 1.00 0.00 +ATOM 458 N NH1 ARG A 65 -29.424 8.541 16.620 1.00 0.00 +ATOM 459 N NH2 ARG A 65 -31.177 8.346 18.211 1.00 0.00 +ATOM 460 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 461 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 462 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 463 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 464 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 465 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 466 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 467 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 468 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 469 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 470 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 471 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 472 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 473 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 474 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 475 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 476 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 481 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 482 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 483 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 484 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 485 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 486 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 487 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 488 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 489 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 490 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 491 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 492 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 493 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 494 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 495 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 496 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 497 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 498 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 499 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 500 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 501 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 502 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 503 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 504 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 505 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 506 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 507 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 508 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 509 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 510 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 511 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 512 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 513 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 514 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 515 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 516 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 517 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 518 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 519 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 520 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 521 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 522 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 523 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 524 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 525 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 526 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 527 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 528 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 529 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 530 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 531 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 532 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 533 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 534 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 535 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 536 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 537 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 538 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 539 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 540 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 541 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 542 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 543 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 544 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 545 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 546 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 547 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 548 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 549 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 550 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 551 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 552 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 553 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 554 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 555 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 556 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 557 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 558 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 559 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 560 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 561 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 562 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 563 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 564 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 565 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 566 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 567 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 568 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 569 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 570 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 571 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 572 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 573 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 574 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 575 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 576 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 577 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 578 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 579 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 580 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 581 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo77_s20.cif b/soup/screen/mmcifs/denovo77_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..08ef7329d07d3047df677b9a3807cdb8ecfec998 --- /dev/null +++ b/soup/screen/mmcifs/denovo77_s20.cif @@ -0,0 +1,607 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 15 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 16 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 17 N N ARG A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ARG A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ARG A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ARG A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ARG A 3 4.810 4.264 -4.307 1.00 0.00 +ATOM 22 C CG ARG A 3 3.442 3.623 -4.583 1.00 0.00 +ATOM 23 C CD ARG A 3 3.601 2.147 -5.017 1.00 0.00 +ATOM 24 N NE ARG A 3 4.687 2.013 -5.995 1.00 0.00 +ATOM 25 C CZ ARG A 3 5.855 1.308 -5.273 1.00 0.00 +ATOM 26 N NH1 ARG A 3 6.472 0.355 -5.858 1.00 0.00 +ATOM 27 N NH2 ARG A 3 6.399 1.869 -4.029 1.00 0.00 +ATOM 28 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 33 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 34 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 35 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 40 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 41 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 42 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 43 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 44 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 45 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 46 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 47 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 48 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 49 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 50 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 51 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 52 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 53 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 54 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 55 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 56 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 57 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 62 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 63 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 64 N N LYS A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA LYS A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C LYS A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O LYS A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB LYS A 9 -4.843 1.556 1.514 1.00 0.00 +ATOM 69 C CG LYS A 9 -5.285 0.210 0.874 1.00 0.00 +ATOM 70 C CD LYS A 9 -4.933 -0.962 1.802 1.00 0.00 +ATOM 71 C CE LYS A 9 -6.201 -1.800 2.064 1.00 0.00 +ATOM 72 N NZ LYS A 9 -6.889 -1.302 3.263 1.00 0.00 +ATOM 73 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 82 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 83 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 84 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 85 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 86 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 87 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 88 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 89 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 90 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 91 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 92 N N THR A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 93 C CA THR A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 94 C C THR A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 95 O O THR A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 96 C CB THR A 13 3.747 1.024 0.428 1.00 0.00 +ATOM 97 O OG1 THR A 13 2.640 1.453 1.243 1.00 0.00 +ATOM 98 C CG2 THR A 13 4.806 2.145 0.382 1.00 0.00 +ATOM 99 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 100 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 101 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 102 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 103 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 104 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 105 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 106 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 111 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 112 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 113 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 118 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 119 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 120 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 121 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 122 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 123 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 124 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 125 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 126 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 127 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 128 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 129 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 130 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 131 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 132 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 133 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 134 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 135 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 136 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 137 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 138 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 139 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 140 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 141 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 142 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 143 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 144 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 145 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 146 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 147 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 148 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 149 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 154 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 155 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 156 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 157 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 158 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 159 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 160 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 161 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 162 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 163 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 164 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 165 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 166 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 167 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 168 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 169 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 170 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 171 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 172 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 173 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 174 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 175 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 176 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 177 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 178 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 179 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 180 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 181 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 182 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 183 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 184 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 185 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 186 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 187 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 188 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 189 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 190 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 191 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 192 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 193 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 194 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 195 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 196 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 197 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 198 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 199 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 200 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 201 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 202 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 203 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 204 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 205 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 206 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 207 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 208 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 209 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 210 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 211 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 212 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 213 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 214 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 215 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 216 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 217 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 218 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 219 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 220 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 221 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 222 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 223 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 224 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 225 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 226 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 227 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 228 N N LYS A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 229 C CA LYS A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 230 C C LYS A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 231 O O LYS A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 232 C CB LYS A 30 1.440 -19.306 22.837 1.00 0.00 +ATOM 233 C CG LYS A 30 2.066 -18.453 21.699 1.00 0.00 +ATOM 234 C CD LYS A 30 3.049 -19.301 20.877 1.00 0.00 +ATOM 235 C CE LYS A 30 2.662 -19.225 19.386 1.00 0.00 +ATOM 236 N NZ LYS A 30 1.736 -20.316 19.055 1.00 0.00 +ATOM 237 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 238 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 239 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 240 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 241 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 242 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 243 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 244 N N GLY A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 245 C CA GLY A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 246 C C GLY A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 247 O O GLY A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 248 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 249 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 250 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 251 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 252 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 253 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 254 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 255 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 256 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 257 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 258 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 259 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 260 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 261 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 262 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 263 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 264 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 265 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 266 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 267 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 268 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 269 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 270 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 271 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 272 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 273 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 274 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 275 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 276 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 277 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 278 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 279 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 280 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 281 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 282 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 283 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 288 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 289 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 290 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 291 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 292 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 293 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 294 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 295 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 296 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 297 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 298 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 299 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 300 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 301 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 302 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 303 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 304 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 305 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 306 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 307 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 308 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 309 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 310 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 311 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 312 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 313 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 314 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 315 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 316 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 317 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 318 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 319 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 320 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 321 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 322 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 323 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 324 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 325 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 326 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 327 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 328 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 329 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 330 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 331 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 332 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 333 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 334 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 335 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 336 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 337 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 338 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 339 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 340 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 341 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 342 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 343 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 344 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 345 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 346 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 347 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 348 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 349 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 350 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 351 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 352 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 353 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 354 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 355 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 356 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 357 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 358 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 359 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 360 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 361 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 362 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 363 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 364 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 365 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 366 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 367 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 368 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 369 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 370 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 371 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 372 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 373 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 374 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 375 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 376 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 377 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 378 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 379 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 380 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 381 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 382 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 383 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 384 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 385 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 386 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 387 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 388 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 389 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 390 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 391 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 392 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 393 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 394 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 395 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 396 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 397 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 398 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 399 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 400 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 401 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 402 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 403 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 404 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 405 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 406 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 407 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 408 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 409 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 410 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 411 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 412 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 413 N N GLU A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 414 C CA GLU A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 415 C C GLU A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 416 O O GLU A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 417 C CB GLU A 55 -26.766 0.168 8.678 1.00 0.00 +ATOM 418 C CG GLU A 55 -26.650 -1.297 8.206 1.00 0.00 +ATOM 419 C CD GLU A 55 -25.912 -2.138 9.263 1.00 0.00 +ATOM 420 O OE1 GLU A 55 -24.695 -2.170 9.263 1.00 0.00 +ATOM 421 O OE2 GLU A 55 -26.637 -3.096 10.034 1.00 0.00 +ATOM 422 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 423 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 424 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 425 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 426 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 427 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 428 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 429 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 430 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 431 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 432 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 433 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 434 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 435 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 436 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 437 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 438 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 439 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 440 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 441 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 442 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 443 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 444 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 445 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 446 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 447 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 448 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 449 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 450 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 451 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 452 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 453 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 454 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 455 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 456 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 457 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 458 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 459 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 460 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 461 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 462 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 463 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 464 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 465 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 466 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 467 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 468 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 469 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 470 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 471 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 472 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 473 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 474 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 475 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 476 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 477 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 478 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 479 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 480 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 481 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 482 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 483 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 484 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 485 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 486 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 487 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 488 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 489 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 490 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 491 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 492 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 493 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 494 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 495 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 496 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 497 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 498 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 499 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 500 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 501 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 502 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 503 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 504 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 505 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 506 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 507 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 508 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 509 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 510 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 511 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 512 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 513 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 514 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 515 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 516 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 517 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 518 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 519 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 520 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 521 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 522 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 523 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 524 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 525 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 526 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 527 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 528 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 529 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 530 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 531 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 532 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 533 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 534 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 535 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 536 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 537 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 538 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 539 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 540 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 541 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 542 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 543 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 544 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 545 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 546 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 547 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 548 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 549 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 550 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 551 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 552 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 553 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 554 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 555 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 556 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 557 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 558 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 559 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 560 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 561 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 562 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 563 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 564 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 565 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 566 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 567 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 568 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 569 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 570 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 571 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 572 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 573 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 574 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 575 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 576 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 577 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 578 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 579 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 580 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 581 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 582 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 583 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 584 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 585 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 586 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 587 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 588 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 589 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 590 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 591 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo78_s20.cif b/soup/screen/mmcifs/denovo78_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ea105dbee24547f19450d3f80816e13437cd4a01 --- /dev/null +++ b/soup/screen/mmcifs/denovo78_s20.cif @@ -0,0 +1,578 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 13 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 14 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 15 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 20 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 21 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 22 N N SER A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA SER A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C SER A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O SER A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB SER A 4 6.125 8.628 -5.780 1.00 0.00 +ATOM 27 O OG SER A 4 6.846 7.484 -6.272 1.00 0.00 +ATOM 28 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 33 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 34 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 35 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 40 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 41 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 42 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 43 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 48 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 49 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 50 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 51 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 52 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 53 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 54 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 59 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 60 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 65 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 66 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 67 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 72 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 73 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 74 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 75 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 80 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 81 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 82 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 83 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 84 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 89 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 90 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 91 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 92 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 93 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 98 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 99 N N LYS A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 100 C CA LYS A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 101 C C LYS A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 102 O O LYS A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 103 C CB LYS A 15 8.917 3.881 3.755 1.00 0.00 +ATOM 104 C CG LYS A 15 8.368 4.707 4.953 1.00 0.00 +ATOM 105 C CD LYS A 15 7.065 4.084 5.477 1.00 0.00 +ATOM 106 C CE LYS A 15 7.202 3.820 6.990 1.00 0.00 +ATOM 107 N NZ LYS A 15 7.720 2.465 7.216 1.00 0.00 +ATOM 108 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 113 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 114 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 115 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 116 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 117 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 118 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 119 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 124 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 125 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 126 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 127 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 128 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 129 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 130 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 131 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 132 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 133 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 134 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 135 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 136 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 137 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 138 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 139 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 140 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 141 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 142 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 143 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 144 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 145 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 146 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 147 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 148 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 149 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 150 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 151 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 152 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 153 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 154 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 155 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 156 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 157 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 158 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 159 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 160 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 161 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 162 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 163 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 164 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 165 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 166 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 167 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 168 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 169 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 170 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 171 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 172 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 173 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 174 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 175 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 176 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 177 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 178 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 179 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 180 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 181 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 182 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 183 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 184 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 189 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 190 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 191 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 192 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 193 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 194 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 195 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 196 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 197 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 198 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 199 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 200 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 201 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 202 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 203 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 204 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 205 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 206 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 207 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 208 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 209 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 210 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 211 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 212 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 213 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 214 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 215 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 216 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 217 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 218 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 219 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 220 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 221 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 222 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 223 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 224 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 225 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 226 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 227 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 228 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 229 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 230 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 231 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 236 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 237 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 238 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 239 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 240 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 241 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 242 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 243 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 244 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 245 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 246 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 247 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 248 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 249 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 250 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 251 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 252 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 253 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 254 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 255 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 256 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 257 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 258 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 259 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 260 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 261 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 262 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 263 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 264 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 265 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 266 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 267 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 268 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 269 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 270 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 271 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 272 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 273 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 274 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 275 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 276 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 277 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 278 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 279 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 280 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 281 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 282 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 283 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 284 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 285 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 286 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 287 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 288 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 289 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 290 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 291 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 292 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 293 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 294 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 295 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 296 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 297 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 298 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 299 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 300 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 301 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 302 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 303 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 304 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 305 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 306 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 307 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 308 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 309 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 310 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 311 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 312 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 313 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 314 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 315 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 316 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 317 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 318 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 319 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 320 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 321 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 322 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 323 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 324 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 325 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 326 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 327 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 328 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 329 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 330 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 331 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 332 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 333 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 334 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 335 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 336 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 337 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 338 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 339 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 340 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 341 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 342 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 343 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 344 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 345 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 346 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 347 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 348 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 349 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 350 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 351 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 352 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 353 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 354 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 355 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 356 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 357 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 358 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 359 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 360 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 361 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 362 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 363 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 364 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 365 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 366 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 367 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 368 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 369 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 370 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 371 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 372 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 373 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 374 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 375 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 376 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 377 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 378 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 379 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 380 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 381 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 382 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 383 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 384 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 385 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 386 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 387 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 388 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 389 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 390 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 391 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 392 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 393 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 394 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 395 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 396 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 397 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 398 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 399 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 400 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 401 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 402 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 407 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 408 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 409 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 410 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 411 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 412 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 413 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 414 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 415 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 416 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 417 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 418 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 419 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 420 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 421 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 422 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 423 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 424 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 425 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 426 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 427 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 428 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 429 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 430 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 431 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 432 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 433 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 434 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 435 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 436 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 437 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 438 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 439 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 440 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 441 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 442 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 443 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 444 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 445 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 446 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 447 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 448 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 449 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 450 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 451 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 452 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 453 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 454 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 455 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 456 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 457 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 458 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 459 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 460 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 461 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 462 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 463 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 464 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 465 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 466 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 467 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 468 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 469 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 470 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 471 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 472 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 473 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 474 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 475 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 476 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 477 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 478 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 479 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 480 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 481 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 482 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 483 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 484 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 485 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 486 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 487 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 488 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 489 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 490 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 491 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 492 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 493 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 494 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 495 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 496 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 497 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 498 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 503 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 504 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 505 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 506 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 507 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 508 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 509 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 510 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 511 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 512 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 517 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 518 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 519 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 524 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 525 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 526 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 527 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 528 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 529 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 530 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 531 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 532 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 533 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 534 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 535 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 536 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 537 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 538 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 539 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 540 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 541 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 542 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 543 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 544 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 545 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 546 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 547 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 548 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 549 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 550 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 551 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 552 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 553 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 554 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 555 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 556 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 557 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 558 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 559 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 560 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 561 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 562 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo79_s20.cif b/soup/screen/mmcifs/denovo79_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..60713df74f3b25fc3953afbc6881bc922e4faf50 --- /dev/null +++ b/soup/screen/mmcifs/denovo79_s20.cif @@ -0,0 +1,564 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 10 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 11 N N GLY A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 12 C CA GLY A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 13 C C GLY A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 14 O O GLY A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 15 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 16 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 17 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 18 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 19 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 20 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 21 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 22 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 23 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 24 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 25 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 26 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 27 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 28 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 29 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 30 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 31 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 32 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 33 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 34 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 35 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 36 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 37 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 38 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 39 N N ASP A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 40 C CA ASP A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 41 C C ASP A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 42 O O ASP A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 43 C CB ASP A 8 -0.620 0.567 -1.146 1.00 0.00 +ATOM 44 C CG ASP A 8 0.312 0.329 -2.294 1.00 0.00 +ATOM 45 O OD1 ASP A 8 -0.022 -0.364 -3.252 1.00 0.00 +ATOM 46 O OD2 ASP A 8 1.733 0.571 -2.118 1.00 0.00 +ATOM 47 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 48 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 49 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 50 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 51 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 52 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 53 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 54 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 55 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 56 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 57 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 58 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 59 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 60 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 61 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 62 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 63 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 64 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 65 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 66 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 67 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 68 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 69 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 70 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 71 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 72 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 73 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 74 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 75 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 76 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 77 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 78 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 79 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 80 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 81 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 82 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 83 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 84 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 85 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 86 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 87 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 88 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 89 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 90 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 91 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 92 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 93 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 94 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 95 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 96 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 97 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 98 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 99 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 100 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 101 N N THR A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 102 C CA THR A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 103 C C THR A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 104 O O THR A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 105 C CB THR A 18 13.360 -1.342 13.015 1.00 0.00 +ATOM 106 O OG1 THR A 18 12.161 -2.122 13.172 1.00 0.00 +ATOM 107 C CG2 THR A 18 14.527 -2.057 13.727 1.00 0.00 +ATOM 108 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 109 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 110 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 111 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 112 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 113 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 114 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 115 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 116 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 117 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 118 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 119 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 120 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 121 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 122 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 123 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 124 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 125 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 126 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 127 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 128 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 129 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 130 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 131 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 132 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 133 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 134 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 135 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 136 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 137 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 138 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 139 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 140 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 141 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 142 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 143 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 144 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 145 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 146 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 147 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 148 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 149 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 150 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 151 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 152 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 153 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 154 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 155 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 156 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 157 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 158 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 159 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 160 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 161 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 162 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 163 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 164 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 165 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 166 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 167 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 168 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 169 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 170 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 171 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 172 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 173 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 174 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 175 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 176 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 177 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 178 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 179 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 180 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 181 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 182 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 183 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 184 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 185 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 186 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 187 N N ASP A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 188 C CA ASP A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 189 C C ASP A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 190 O O ASP A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 191 C CB ASP A 31 -2.510 -19.807 19.251 1.00 0.00 +ATOM 192 C CG ASP A 31 -1.795 -21.003 18.702 1.00 0.00 +ATOM 193 O OD1 ASP A 31 -0.724 -21.377 19.174 1.00 0.00 +ATOM 194 O OD2 ASP A 31 -2.140 -21.490 17.378 1.00 0.00 +ATOM 195 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 196 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 197 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 198 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 199 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 200 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 201 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 202 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 203 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 204 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 205 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 206 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 207 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 208 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 209 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 210 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 211 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 212 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 213 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 214 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 215 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 216 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 217 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 218 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 219 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 220 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 221 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 222 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 223 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 224 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 225 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 226 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 227 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 228 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 229 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 230 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 231 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 232 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 233 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 234 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 235 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 236 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 237 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 238 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 239 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 240 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 241 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 242 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 243 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 244 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 245 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 246 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 247 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 248 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 249 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 250 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 251 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 252 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 253 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 254 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 255 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 256 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 257 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 258 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 259 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 260 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 261 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 262 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 263 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 264 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 265 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 266 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 267 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 268 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 269 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 270 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 271 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 272 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 273 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 274 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 275 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 276 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 277 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 278 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 279 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 280 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 281 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 282 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 283 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 284 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 285 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 286 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 287 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 288 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 289 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 290 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 291 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 292 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 293 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 294 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 295 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 296 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 297 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 298 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 299 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 300 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 301 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 302 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 303 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 304 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 305 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 306 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 307 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 308 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 309 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 310 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 311 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 312 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 313 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 314 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 315 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 316 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 317 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 318 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 319 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 320 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 321 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 322 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 323 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 324 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 325 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 326 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 327 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 328 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 329 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 330 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 331 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 332 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 333 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 334 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 335 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 336 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 337 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 338 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 339 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 340 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 341 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 342 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 343 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 344 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 345 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 346 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 347 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 348 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 349 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 350 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 351 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 352 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 353 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 354 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 355 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 356 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 357 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 358 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 359 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 360 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 361 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 362 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 363 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 364 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 365 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 366 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 367 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 368 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 369 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 370 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 371 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 372 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 373 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 374 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 375 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 376 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 377 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 378 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 379 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 380 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 381 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 382 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 383 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 384 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 385 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 386 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 387 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 388 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 389 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 390 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 391 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 392 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 393 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 394 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 395 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 396 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 397 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 398 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 399 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 400 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 401 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 402 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 403 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 404 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 405 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 406 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 407 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 408 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 409 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 410 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 411 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 412 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 413 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 414 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 415 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 416 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 417 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 418 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 419 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 420 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 421 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 422 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 423 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 424 N N ASP A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 425 C CA ASP A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 426 C C ASP A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 427 O O ASP A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 428 C CB ASP A 63 -37.572 15.580 15.160 1.00 0.00 +ATOM 429 C CG ASP A 63 -38.235 15.379 16.487 1.00 0.00 +ATOM 430 O OD1 ASP A 63 -38.931 14.391 16.708 1.00 0.00 +ATOM 431 O OD2 ASP A 63 -38.394 16.512 17.381 1.00 0.00 +ATOM 432 N N GLY A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 433 C CA GLY A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 434 C C GLY A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 435 O O GLY A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 436 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 437 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 438 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 439 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 440 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 441 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 442 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 443 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 444 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 445 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 446 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 447 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 448 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 449 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 450 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 451 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 452 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 453 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 454 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 455 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 456 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 457 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 458 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 459 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 460 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 461 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 462 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 463 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 464 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 465 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 466 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 467 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 468 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 469 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 470 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 471 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 472 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 473 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 474 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 475 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 476 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 477 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 478 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 479 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 480 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 481 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 482 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 483 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 484 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 485 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 486 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 487 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 488 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 489 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 490 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 491 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 492 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 493 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 494 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 495 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 496 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 497 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 498 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 499 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 500 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 501 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 502 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 503 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 504 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 505 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 506 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 507 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 508 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 509 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 510 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 511 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 512 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 513 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 514 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 515 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 516 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 517 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 518 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 519 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 520 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 521 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 522 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 523 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 524 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 525 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 526 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 527 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 528 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 529 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 530 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 531 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 532 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 533 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 534 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 535 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 536 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 537 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 538 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 539 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 540 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 541 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 542 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 543 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 544 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 545 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 546 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 547 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 548 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo7_s20.cif b/soup/screen/mmcifs/denovo7_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..86b7c357b77710b6086008e705e6c1dd6748b88a --- /dev/null +++ b/soup/screen/mmcifs/denovo7_s20.cif @@ -0,0 +1,579 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 15 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 16 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 17 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 22 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 23 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 24 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 25 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 26 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 27 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 28 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 29 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 30 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 31 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 32 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 33 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 34 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 35 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 36 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 37 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 38 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 39 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 40 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 41 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 42 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 43 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 44 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 49 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 54 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 55 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 56 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 57 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 58 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 59 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 60 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 61 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 62 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 67 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 68 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 69 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 70 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 71 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 72 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 73 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 74 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 75 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 80 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 81 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 82 N N VAL A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 83 C CA VAL A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 84 C C VAL A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 85 O O VAL A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 86 C CB VAL A 13 3.755 1.029 0.414 1.00 0.00 +ATOM 87 C CG2 VAL A 13 2.578 1.529 1.287 1.00 0.00 +ATOM 88 C CG1 VAL A 13 4.835 2.128 0.335 1.00 0.00 +ATOM 89 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 90 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 91 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 92 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 93 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 94 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 95 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 96 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 97 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 98 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 99 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 100 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 101 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 102 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 103 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 104 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 105 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 106 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 107 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 108 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 109 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 110 N N ARG A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA ARG A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C ARG A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O ARG A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB ARG A 17 10.991 -1.394 7.692 1.00 0.00 +ATOM 115 C CG ARG A 17 11.026 -0.636 6.357 1.00 0.00 +ATOM 116 C CD ARG A 17 12.468 -0.558 5.803 1.00 0.00 +ATOM 117 N NE ARG A 17 13.411 -0.209 6.873 1.00 0.00 +ATOM 118 C CZ ARG A 17 14.230 -1.481 7.179 1.00 0.00 +ATOM 119 N NH1 ARG A 17 15.497 -1.396 7.315 1.00 0.00 +ATOM 120 N NH2 ARG A 17 13.546 -2.732 7.535 1.00 0.00 +ATOM 121 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 126 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 127 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 128 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 129 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 130 N N THR A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA THR A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C THR A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O THR A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB THR A 19 16.114 -3.495 8.746 1.00 0.00 +ATOM 135 O OG1 THR A 19 16.588 -2.361 9.496 1.00 0.00 +ATOM 136 C CG2 THR A 19 17.232 -4.555 8.669 1.00 0.00 +ATOM 137 N N GLU A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA GLU A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C GLU A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O GLU A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB GLU A 20 15.908 -5.621 13.637 1.00 0.00 +ATOM 142 C CG GLU A 20 16.240 -4.118 13.522 1.00 0.00 +ATOM 143 C CD GLU A 20 15.122 -3.277 14.164 1.00 0.00 +ATOM 144 O OE1 GLU A 20 14.138 -2.984 13.510 1.00 0.00 +ATOM 145 O OE2 GLU A 20 15.368 -2.602 15.398 1.00 0.00 +ATOM 146 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 147 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 148 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 149 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 150 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 151 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 152 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 153 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 154 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 155 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 156 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 157 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 158 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 159 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 160 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 161 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 162 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 163 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 164 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 165 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 166 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 167 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 168 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 169 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 170 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 171 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 172 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 173 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 174 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 175 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 176 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 177 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 178 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 179 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 180 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 181 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 182 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 183 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 184 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 185 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 186 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 187 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 188 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 189 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 194 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 195 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 196 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 197 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 198 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 199 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 200 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 201 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 202 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 203 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 204 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 205 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 206 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 207 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 208 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 209 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 210 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 211 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 212 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 213 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 214 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 215 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 216 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 217 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 218 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 219 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 224 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 225 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 226 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 227 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 228 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 229 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 230 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 231 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 232 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 233 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 234 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 235 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 236 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 237 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 238 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 239 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 240 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 241 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 242 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 247 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 248 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 249 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 250 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 251 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 252 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 253 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 254 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 259 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 260 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 261 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 262 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 263 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 264 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 265 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 266 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 267 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 268 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 269 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 270 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 271 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 272 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 273 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 274 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 275 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 276 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 277 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 278 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 279 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 280 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 281 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 282 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 283 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 284 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 285 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 286 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 287 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 288 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 289 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 290 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 291 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 292 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 293 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 294 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 295 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 296 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 297 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 298 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 299 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 300 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 301 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 302 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 303 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 304 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 305 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 306 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 307 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 308 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 309 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 310 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 311 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 312 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 313 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 314 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 315 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 316 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 317 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 318 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 319 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 320 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 321 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 326 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 327 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 328 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 329 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 330 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 335 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 336 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 337 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 338 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 339 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 340 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 341 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 342 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 343 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 344 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 345 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 350 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 351 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 352 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 353 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 354 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 355 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 356 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 357 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 358 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 359 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 360 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 361 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 362 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 363 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 364 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 365 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 366 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 367 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 368 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 369 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 370 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 371 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 372 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 373 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 374 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 375 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 376 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 377 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 378 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 379 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 380 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 381 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 382 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 383 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 384 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 385 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 386 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 387 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 388 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 389 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 390 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 391 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 392 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 393 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 394 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 395 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 396 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 397 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 398 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 399 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 400 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 401 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 402 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 403 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 404 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 405 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 406 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 407 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 408 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 409 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 410 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 411 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 412 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 413 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 414 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 415 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 416 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 417 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 418 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 419 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 420 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 421 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 422 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 423 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 424 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 425 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 426 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 427 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 428 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 429 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 430 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 431 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 432 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 433 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 434 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 435 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 436 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 437 N N ALA A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 438 C CA ALA A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 439 C C ALA A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 440 O O ALA A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 441 C CB ALA A 63 -37.555 15.540 15.168 1.00 0.00 +ATOM 442 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 443 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 444 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 445 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 446 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 447 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 448 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 449 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 450 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 451 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 452 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 453 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 454 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 455 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 456 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 457 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 458 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 459 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 460 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 461 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 462 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 463 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 464 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 465 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 466 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 467 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 468 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 469 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 470 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 471 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 472 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 473 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 474 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 475 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 476 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 477 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 478 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 479 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 480 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 481 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 482 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 483 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 484 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 485 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 486 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 487 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 488 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 489 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 490 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 491 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 492 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 493 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 494 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 495 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 496 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 497 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 498 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 499 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 500 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 501 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 502 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 503 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 504 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 505 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 506 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 507 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 508 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 509 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 510 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 511 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 512 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 513 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 514 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 515 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 516 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 517 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 518 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 519 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 520 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 521 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 522 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 523 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 524 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 525 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 526 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 527 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 528 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 529 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 530 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 531 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 532 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 533 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 534 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 535 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 536 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 537 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 538 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 539 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 540 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 541 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 542 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 543 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 544 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 545 N N ARG A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 546 C CA ARG A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 547 C C ARG A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 548 O O ARG A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 549 C CB ARG A 79 -22.515 9.437 16.678 1.00 0.00 +ATOM 550 C CG ARG A 79 -22.552 8.566 15.414 1.00 0.00 +ATOM 551 C CD ARG A 79 -21.477 7.455 15.477 1.00 0.00 +ATOM 552 N NE ARG A 79 -20.202 8.001 15.958 1.00 0.00 +ATOM 553 C CZ ARG A 79 -19.996 7.460 17.389 1.00 0.00 +ATOM 554 N NH1 ARG A 79 -18.853 7.001 17.729 1.00 0.00 +ATOM 555 N NH2 ARG A 79 -21.025 7.675 18.415 1.00 0.00 +ATOM 556 N N ASP A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 557 C CA ASP A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 558 C C ASP A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 559 O O ASP A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 560 C CB ASP A 80 -17.974 10.871 18.497 1.00 0.00 +ATOM 561 C CG ASP A 80 -18.463 12.282 18.386 1.00 0.00 +ATOM 562 O OD1 ASP A 80 -19.397 12.575 17.644 1.00 0.00 +ATOM 563 O OD2 ASP A 80 -17.608 13.367 18.833 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo80_s20.cif b/soup/screen/mmcifs/denovo80_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..7437bbf79a538869188bc9bd6249dea0dfc0a8ac --- /dev/null +++ b/soup/screen/mmcifs/denovo80_s20.cif @@ -0,0 +1,618 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 19 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 20 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 21 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 26 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 27 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 28 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 29 N N GLU A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA GLU A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C GLU A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O GLU A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB GLU A 5 3.582 6.205 -9.742 1.00 0.00 +ATOM 34 C CG GLU A 5 4.611 5.240 -9.114 1.00 0.00 +ATOM 35 C CD GLU A 5 3.890 4.173 -8.271 1.00 0.00 +ATOM 36 O OE1 GLU A 5 3.596 4.417 -7.115 1.00 0.00 +ATOM 37 O OE2 GLU A 5 3.835 2.824 -8.736 1.00 0.00 +ATOM 38 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 47 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 48 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 49 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 54 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 55 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 56 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 61 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 62 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 67 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 68 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 69 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 70 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 71 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 72 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 73 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 82 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 83 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 84 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 89 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 90 N N VAL A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA VAL A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C VAL A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O VAL A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 C CB VAL A 14 6.660 -0.849 4.856 1.00 0.00 +ATOM 95 C CG2 VAL A 14 6.701 -1.963 3.781 1.00 0.00 +ATOM 96 C CG1 VAL A 14 8.069 -0.669 5.457 1.00 0.00 +ATOM 97 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 102 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 103 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 104 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 109 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 110 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 115 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 116 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 117 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 118 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 119 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 120 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 121 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 122 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 123 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 124 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 125 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 126 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 127 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 128 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 129 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 130 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 131 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 132 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 133 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 134 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 139 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 140 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 141 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 142 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 143 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 144 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 145 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 146 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 147 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 148 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 149 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 150 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 151 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 152 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 157 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 158 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 159 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 160 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 161 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 162 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 163 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 164 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 165 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 166 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 167 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 168 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 169 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 170 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 171 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 172 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 177 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 178 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 179 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 180 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 181 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 182 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 183 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 184 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 185 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 186 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 187 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 192 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 193 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 194 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 195 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 196 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 197 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 198 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 199 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 200 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 201 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 202 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 203 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 204 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 205 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 206 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 207 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 208 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 209 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 210 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 211 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 212 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 213 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 214 N N LYS A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 215 C CA LYS A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 216 C C LYS A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 217 O O LYS A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 218 C CB LYS A 29 2.616 -24.892 21.983 1.00 0.00 +ATOM 219 C CG LYS A 29 3.415 -24.392 23.219 1.00 0.00 +ATOM 220 C CD LYS A 29 4.706 -23.691 22.771 1.00 0.00 +ATOM 221 C CE LYS A 29 4.761 -22.281 23.394 1.00 0.00 +ATOM 222 N NZ LYS A 29 4.140 -21.309 22.485 1.00 0.00 +ATOM 223 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 224 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 225 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 226 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 227 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 228 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 229 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 230 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 231 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 232 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 233 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 234 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 235 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 236 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 237 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 238 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 239 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 240 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 241 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 242 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 243 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 244 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 245 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 246 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 247 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 248 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 249 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 250 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 251 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 252 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 253 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 254 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 255 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 256 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 257 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 258 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 259 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 260 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 261 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 262 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 263 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 264 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 265 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 266 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 267 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 268 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 269 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 270 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 271 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 272 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 273 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 274 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 275 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 276 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 277 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 278 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 279 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 280 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 281 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 282 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 283 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 284 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 285 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 286 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 287 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 288 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 289 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 290 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 291 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 292 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 293 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 294 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 295 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 296 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 297 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 298 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 299 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 300 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 301 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 302 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 303 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 304 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 305 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 306 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 307 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 308 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 309 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 310 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 311 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 312 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 313 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 314 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 315 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 316 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 317 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 318 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 319 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 320 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 321 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 322 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 323 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 324 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 325 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 326 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 327 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 328 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 329 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 330 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 331 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 332 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 333 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 334 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 335 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 336 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 337 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 338 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 339 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 340 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 341 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 342 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 343 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 344 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 345 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 346 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 347 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 348 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 349 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 350 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 351 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 352 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 353 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 354 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 355 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 356 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 357 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 358 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 359 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 360 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 361 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 362 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 363 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 364 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 365 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 366 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 367 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 368 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 369 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 370 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 371 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 372 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 373 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 374 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 375 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 376 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 377 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 378 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 379 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 380 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 381 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 382 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 383 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 384 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 385 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 386 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 387 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 388 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 389 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 390 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 391 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 392 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 393 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 394 N N ALA A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 395 C CA ALA A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 396 C C ALA A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 397 O O ALA A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 398 C CB ALA A 53 -23.325 -3.135 9.744 1.00 0.00 +ATOM 399 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 400 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 401 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 402 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 403 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 404 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 405 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 406 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 407 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 408 N N VAL A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 409 C CA VAL A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 410 C C VAL A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 411 O O VAL A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 412 C CB VAL A 55 -26.766 0.171 8.630 1.00 0.00 +ATOM 413 C CG2 VAL A 55 -26.567 -1.361 8.519 1.00 0.00 +ATOM 414 C CG1 VAL A 55 -27.553 0.491 9.918 1.00 0.00 +ATOM 415 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 416 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 417 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 418 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 419 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 420 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 421 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 422 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 423 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 424 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 425 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 426 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 427 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 428 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 429 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 430 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 431 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 432 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 433 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 434 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 435 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 436 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 437 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 438 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 439 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 440 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 441 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 442 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 443 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 444 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 445 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 446 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 447 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 448 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 449 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 450 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 451 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 452 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 453 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 454 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 455 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 456 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 457 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 458 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 459 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 460 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 461 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 462 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 463 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 464 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 465 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 466 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 467 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 468 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 469 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 470 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 471 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 472 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 473 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 474 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 475 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 476 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 477 N N ASP A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 478 C CA ASP A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 479 C C ASP A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 480 O O ASP A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 481 C CB ASP A 65 -32.895 10.622 18.585 1.00 0.00 +ATOM 482 C CG ASP A 65 -32.656 10.347 17.132 1.00 0.00 +ATOM 483 O OD1 ASP A 65 -31.525 10.137 16.702 1.00 0.00 +ATOM 484 O OD2 ASP A 65 -33.674 10.711 16.163 1.00 0.00 +ATOM 485 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 486 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 487 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 488 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 489 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 490 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 491 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 492 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 493 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 494 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 495 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 496 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 497 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 498 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 499 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 500 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 501 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 502 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 503 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 504 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 505 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 506 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 507 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 508 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 509 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 510 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 511 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 512 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 513 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 514 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 515 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 516 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 517 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 518 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 519 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 520 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 521 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 522 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 523 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 524 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 525 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 526 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 527 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 528 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 529 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 530 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 531 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 532 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 533 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 534 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 535 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 536 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 537 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 538 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 539 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 540 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 541 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 542 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 543 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 544 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 545 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 546 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 547 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 548 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 549 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 550 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 551 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 552 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 553 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 554 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 555 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 556 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 557 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 558 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 559 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 560 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 561 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 562 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 563 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 564 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 565 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 566 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 567 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 568 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 569 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 570 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 571 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 572 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 573 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 574 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 575 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 576 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 577 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 578 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 579 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 580 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 581 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 582 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 583 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 584 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 585 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 586 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 587 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 588 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 589 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 590 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 591 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 592 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 593 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 594 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 595 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 596 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 597 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 598 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 599 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 600 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 601 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 602 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo81_s20.cif b/soup/screen/mmcifs/denovo81_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..55997e19c8f93694413e2e8fd3ae2e634827bfd6 --- /dev/null +++ b/soup/screen/mmcifs/denovo81_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 13 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 14 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 15 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 16 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 17 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 18 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 19 N N SER A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA SER A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C SER A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O SER A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB SER A 3 4.793 4.277 -4.284 1.00 0.00 +ATOM 24 O OG SER A 3 3.466 4.077 -4.803 1.00 0.00 +ATOM 25 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 30 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 31 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 32 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 33 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 34 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 35 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 36 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 37 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 38 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 39 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 40 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 41 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 42 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 43 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 44 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 45 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 46 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 47 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 48 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 49 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 50 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 51 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 52 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 53 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 54 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 59 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 60 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 61 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 62 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 63 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 64 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 65 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 66 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 67 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 68 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 69 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 70 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 71 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 72 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 73 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 78 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 79 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 84 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 85 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 86 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 87 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 88 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 89 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 90 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 91 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 92 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 93 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 94 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 95 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 96 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 97 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 98 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 99 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 100 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 105 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 106 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 107 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 108 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 109 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 110 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 111 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 112 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 113 N N LYS A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 114 C CA LYS A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 115 C C LYS A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 116 O O LYS A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 117 C CB LYS A 16 10.335 3.933 8.753 1.00 0.00 +ATOM 118 C CG LYS A 16 9.178 3.124 9.405 1.00 0.00 +ATOM 119 C CD LYS A 16 8.007 2.982 8.421 1.00 0.00 +ATOM 120 C CE LYS A 16 7.652 1.489 8.268 1.00 0.00 +ATOM 121 N NZ LYS A 16 8.412 0.906 7.155 1.00 0.00 +ATOM 122 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 127 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 132 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 133 N N ALA A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 134 C CA ALA A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 135 C C ALA A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 136 O O ALA A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 137 C CB ALA A 19 16.149 -3.484 8.832 1.00 0.00 +ATOM 138 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 139 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 140 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 141 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 142 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 143 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 144 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 145 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 154 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 155 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 156 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 157 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 158 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 159 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 160 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 161 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 162 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 163 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 164 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 165 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 170 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 171 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 172 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 173 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 174 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 175 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 176 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 177 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 178 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 179 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 180 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 181 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 182 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 183 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 184 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 185 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 186 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 187 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 188 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 189 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 190 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 191 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 192 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 193 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 194 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 195 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 196 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 197 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 198 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 199 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 200 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 201 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 202 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 203 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 204 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 205 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 206 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 207 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 208 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 209 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 210 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 211 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 212 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 213 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 214 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 215 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 216 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 217 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 218 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 219 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 220 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 221 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 222 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 223 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 224 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 225 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 226 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 227 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 228 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 229 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 230 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 231 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 232 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 233 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 234 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 235 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 236 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 237 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 238 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 239 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 240 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 241 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 242 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 243 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 244 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 245 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 246 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 247 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 248 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 249 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 250 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 251 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 252 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 253 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 254 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 255 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 256 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 257 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 258 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 259 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 260 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 261 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 262 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 263 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 264 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 265 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 266 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 267 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 268 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 269 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 270 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 271 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 272 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 273 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 274 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 275 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 276 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 277 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 278 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 279 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 280 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 281 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 282 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 283 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 284 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 285 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 286 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 287 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 288 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 289 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 290 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 291 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 292 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 293 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 294 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 295 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 296 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 297 N N ASP A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 298 C CA ASP A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 299 C C ASP A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 300 O O ASP A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 301 C CB ASP A 44 -8.333 -17.286 22.635 1.00 0.00 +ATOM 302 C CG ASP A 44 -7.678 -16.666 21.440 1.00 0.00 +ATOM 303 O OD1 ASP A 44 -6.888 -17.302 20.746 1.00 0.00 +ATOM 304 O OD2 ASP A 44 -7.652 -15.220 21.314 1.00 0.00 +ATOM 305 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 306 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 307 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 308 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 309 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 310 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 311 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 312 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 313 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 314 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 315 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 316 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 317 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 318 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 319 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 320 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 321 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 322 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 323 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 324 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 325 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 326 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 327 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 328 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 329 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 330 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 331 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 332 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 333 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 334 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 335 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 336 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 337 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 338 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 339 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 340 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 341 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 342 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 343 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 344 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 345 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 346 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 347 N N ALA A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 348 C CA ALA A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 349 C C ALA A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 350 O O ALA A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 351 C CB ALA A 50 -16.426 -6.749 6.397 1.00 0.00 +ATOM 352 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 353 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 354 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 355 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 356 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 357 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 358 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 359 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 360 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 361 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 362 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 363 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 364 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 365 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 366 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 367 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 368 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 369 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 370 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 371 N N LYS A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 372 C CA LYS A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 373 C C LYS A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 374 O O LYS A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 375 C CB LYS A 54 -23.913 -0.951 4.261 1.00 0.00 +ATOM 376 C CG LYS A 54 -25.192 -1.823 4.395 1.00 0.00 +ATOM 377 C CD LYS A 54 -26.272 -1.067 5.185 1.00 0.00 +ATOM 378 C CE LYS A 54 -27.573 -1.028 4.356 1.00 0.00 +ATOM 379 N NZ LYS A 54 -27.599 0.182 3.525 1.00 0.00 +ATOM 380 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 381 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 382 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 383 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 384 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 385 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 386 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 387 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 388 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 389 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 390 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 391 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 392 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 393 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 394 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 395 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 396 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 397 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 398 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 399 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 400 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 401 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 402 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 403 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 404 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 405 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 406 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 407 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 408 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 409 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 410 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 411 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 412 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 413 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 414 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 415 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 416 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 417 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 418 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 419 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 420 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 421 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 422 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 423 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 424 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 425 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 426 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 427 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 428 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 429 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 430 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 431 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 432 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 433 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 434 N N GLY A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 435 C CA GLY A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 436 C C GLY A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 437 O O GLY A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 438 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 439 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 440 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 441 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 442 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 443 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 444 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 445 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 446 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 447 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 448 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 449 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 454 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 455 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 456 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 457 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 458 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 459 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 460 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 461 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 462 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 463 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 464 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 465 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 466 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 467 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 468 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 469 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 470 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 471 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 472 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 473 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 474 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 475 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 476 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 477 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 478 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 479 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 480 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 481 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 482 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 483 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 484 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 485 N N LYS A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 486 C CA LYS A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 487 C C LYS A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 488 O O LYS A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 489 C CB LYS A 70 -23.627 10.769 26.392 1.00 0.00 +ATOM 490 C CG LYS A 70 -24.118 12.029 27.159 1.00 0.00 +ATOM 491 C CD LYS A 70 -23.462 13.293 26.583 1.00 0.00 +ATOM 492 C CE LYS A 70 -24.561 14.305 26.199 1.00 0.00 +ATOM 493 N NZ LYS A 70 -24.961 14.102 24.801 1.00 0.00 +ATOM 494 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 495 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 496 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 497 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 498 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 499 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 500 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 501 N N ARG A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 502 C CA ARG A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 503 C C ARG A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 504 O O ARG A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 505 C CB ARG A 72 -26.628 9.736 20.946 1.00 0.00 +ATOM 506 C CG ARG A 72 -25.402 9.339 21.780 1.00 0.00 +ATOM 507 C CD ARG A 72 -25.212 7.803 21.788 1.00 0.00 +ATOM 508 N NE ARG A 72 -26.498 7.128 22.001 1.00 0.00 +ATOM 509 C CZ ARG A 72 -26.891 6.479 20.658 1.00 0.00 +ATOM 510 N NH1 ARG A 72 -27.329 5.279 20.642 1.00 0.00 +ATOM 511 N NH2 ARG A 72 -26.977 7.297 19.440 1.00 0.00 +ATOM 512 N N PRO A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 513 C CA PRO A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 514 C C PRO A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 515 O O PRO A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 516 C CB PRO A 73 -30.728 6.913 21.407 1.00 0.00 +ATOM 517 C CG PRO A 73 -30.718 8.350 21.980 1.00 0.00 +ATOM 518 C CD PRO A 73 -31.857 9.126 21.308 1.00 0.00 +ATOM 519 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 520 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 521 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 522 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 523 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 524 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 525 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 526 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 527 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 528 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 529 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 530 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 531 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 532 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 533 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 534 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 535 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 536 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 537 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 538 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 539 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 540 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 541 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 542 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 543 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 544 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 545 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 546 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 547 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 548 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 549 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 550 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 551 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 552 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 553 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 554 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 555 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 556 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 557 N N ASP A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 558 C CA ASP A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 559 C C ASP A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 560 O O ASP A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 561 C CB ASP A 78 -20.042 13.534 12.683 1.00 0.00 +ATOM 562 C CG ASP A 78 -20.666 14.852 13.024 1.00 0.00 +ATOM 563 O OD1 ASP A 78 -21.686 15.239 12.459 1.00 0.00 +ATOM 564 O OD2 ASP A 78 -19.877 15.853 13.720 1.00 0.00 +ATOM 565 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 566 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 567 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 568 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 569 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 570 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 571 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 572 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 573 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 574 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 575 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 576 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 577 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo82_s20.cif b/soup/screen/mmcifs/denovo82_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..0562696058457540c64767e5b5e626485792a75f --- /dev/null +++ b/soup/screen/mmcifs/denovo82_s20.cif @@ -0,0 +1,590 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 17 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 18 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 19 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 20 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 25 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 26 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 27 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 32 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 33 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 34 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 35 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 36 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 41 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 42 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 43 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 48 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 49 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 50 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 51 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 52 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 53 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 54 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 55 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 56 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 61 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 62 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 63 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 68 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 69 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 70 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 75 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 76 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 77 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 78 N N ALA A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 79 C CA ALA A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 80 C C ALA A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 81 O O ALA A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 82 C CB ALA A 13 3.740 1.054 0.517 1.00 0.00 +ATOM 83 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 84 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 85 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 86 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 87 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 88 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 89 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 90 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 91 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 92 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 93 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 94 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 95 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 96 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 97 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 98 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 99 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 100 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 101 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 102 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 103 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 104 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 105 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 106 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 107 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 108 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 109 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 110 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 111 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 112 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 113 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 114 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 115 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 116 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 117 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 118 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 119 N N SER A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 120 C CA SER A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 121 C C SER A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 122 O O SER A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 123 C CB SER A 20 15.886 -5.582 13.622 1.00 0.00 +ATOM 124 O OG SER A 20 15.815 -4.158 13.818 1.00 0.00 +ATOM 125 N N ARG A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 126 C CA ARG A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 127 C C ARG A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 128 O O ARG A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 129 C CB ARG A 21 11.760 -5.729 15.994 1.00 0.00 +ATOM 130 C CG ARG A 21 12.194 -4.528 15.142 1.00 0.00 +ATOM 131 C CD ARG A 21 11.141 -4.213 14.054 1.00 0.00 +ATOM 132 N NE ARG A 21 10.685 -5.449 13.406 1.00 0.00 +ATOM 133 C CZ ARG A 21 9.242 -5.702 13.891 1.00 0.00 +ATOM 134 N NH1 ARG A 21 8.344 -6.037 13.047 1.00 0.00 +ATOM 135 N NH2 ARG A 21 8.950 -5.781 15.329 1.00 0.00 +ATOM 136 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 137 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 138 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 139 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 140 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 141 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 142 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 143 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 144 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 145 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 146 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 147 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 148 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 149 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 150 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 151 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 152 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 153 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 154 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 155 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 156 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 157 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 158 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 159 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 160 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 161 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 162 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 163 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 164 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 165 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 166 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 167 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 168 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 169 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 170 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 171 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 172 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 173 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 174 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 175 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 176 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 177 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 178 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 179 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 180 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 181 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 182 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 183 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 184 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 185 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 186 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 187 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 188 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 189 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 190 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 191 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 192 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 193 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 194 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 195 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 196 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 197 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 198 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 199 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 200 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 201 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 202 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 203 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 204 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 205 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 206 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 207 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 208 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 209 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 210 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 211 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 212 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 213 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 214 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 215 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 216 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 217 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 218 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 219 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 220 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 221 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 222 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 223 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 224 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 225 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 226 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 227 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 228 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 229 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 230 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 231 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 232 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 233 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 234 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 235 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 236 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 237 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 238 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 239 N N PRO A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 240 C CA PRO A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 241 C C PRO A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 242 O O PRO A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 243 C CB PRO A 35 -2.716 -31.109 20.597 1.00 0.00 +ATOM 244 C CG PRO A 35 -3.626 -30.064 21.284 1.00 0.00 +ATOM 245 C CD PRO A 35 -5.080 -30.471 21.024 1.00 0.00 +ATOM 246 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 247 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 248 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 249 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 250 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 251 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 252 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 253 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 254 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 255 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 256 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 257 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 258 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 259 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 260 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 261 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 262 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 263 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 264 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 265 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 266 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 267 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 268 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 269 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 270 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 271 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 272 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 273 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 274 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 275 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 276 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 277 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 278 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 279 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 280 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 281 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 282 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 283 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 284 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 285 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 286 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 287 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 288 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 289 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 290 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 291 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 292 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 293 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 294 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 295 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 296 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 297 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 298 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 299 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 300 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 301 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 302 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 303 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 304 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 305 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 306 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 307 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 308 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 309 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 310 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 311 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 312 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 313 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 314 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 315 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 316 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 317 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 318 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 319 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 320 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 321 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 322 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 323 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 324 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 325 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 326 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 327 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 328 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 329 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 330 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 331 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 332 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 333 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 334 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 335 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 336 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 337 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 338 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 339 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 340 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 341 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 342 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 343 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 344 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 345 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 346 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 347 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 348 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 349 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 350 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 351 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 352 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 353 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 354 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 355 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 356 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 357 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 358 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 359 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 360 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 361 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 362 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 363 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 368 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 369 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 370 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 371 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 372 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 373 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 374 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 375 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 376 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 377 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 378 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 379 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 380 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 381 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 382 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 383 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 384 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 385 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 386 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 387 N N SER A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 388 C CA SER A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 389 C C SER A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 390 O O SER A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 391 C CB SER A 55 -26.732 0.136 8.673 1.00 0.00 +ATOM 392 O OG SER A 55 -26.475 -1.280 8.695 1.00 0.00 +ATOM 393 N N LYS A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 394 C CA LYS A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 395 C C LYS A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 396 O O LYS A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 397 C CB LYS A 56 -25.357 3.717 12.533 1.00 0.00 +ATOM 398 C CG LYS A 56 -26.888 3.933 12.690 1.00 0.00 +ATOM 399 C CD LYS A 56 -27.589 3.791 11.330 1.00 0.00 +ATOM 400 C CE LYS A 56 -28.717 2.745 11.447 1.00 0.00 +ATOM 401 N NZ LYS A 56 -28.200 1.413 11.110 1.00 0.00 +ATOM 402 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 407 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 408 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 409 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 410 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 411 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 412 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 413 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 414 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 415 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 416 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 417 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 418 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 419 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 420 N N ARG A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 421 C CA ARG A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 422 C C ARG A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 423 O O ARG A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 424 C CB ARG A 60 -33.493 6.613 15.227 1.00 0.00 +ATOM 425 C CG ARG A 60 -34.404 5.413 14.929 1.00 0.00 +ATOM 426 C CD ARG A 60 -35.870 5.724 15.313 1.00 0.00 +ATOM 427 N NE ARG A 60 -35.928 6.385 16.622 1.00 0.00 +ATOM 428 C CZ ARG A 60 -36.307 7.858 16.362 1.00 0.00 +ATOM 429 N NH1 ARG A 60 -37.199 8.416 17.087 1.00 0.00 +ATOM 430 N NH2 ARG A 60 -35.499 8.678 15.449 1.00 0.00 +ATOM 431 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 432 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 433 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 434 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 435 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 436 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 437 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 438 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 439 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 440 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 441 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 442 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 443 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 444 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 445 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 446 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 447 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 448 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 449 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 450 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 451 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 452 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 453 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 454 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 455 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 456 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 457 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 458 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 459 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 460 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 461 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 462 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 463 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 464 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 465 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 466 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 467 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 468 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 469 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 470 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 471 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 472 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 473 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 474 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 475 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 476 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 477 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 478 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 479 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 480 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 481 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 482 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 483 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 484 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 485 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 486 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 487 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 488 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 489 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 490 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 491 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 492 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 493 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 494 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 495 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 496 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 497 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 498 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 499 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 500 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 501 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 502 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 503 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 504 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 505 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 506 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 507 N N SER A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 508 C CA SER A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 509 C C SER A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 510 O O SER A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 511 C CB SER A 71 -28.342 11.513 26.239 1.00 0.00 +ATOM 512 O OG SER A 71 -27.501 12.605 25.824 1.00 0.00 +ATOM 513 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 514 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 515 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 516 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 517 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 518 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 519 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 520 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 521 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 522 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 523 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 524 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 525 N N SER A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 526 C CA SER A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 527 C C SER A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 528 O O SER A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 529 C CB SER A 74 -29.402 8.057 16.249 1.00 0.00 +ATOM 530 O OG SER A 74 -28.871 9.201 16.941 1.00 0.00 +ATOM 531 N N LYS A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 532 C CA LYS A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 533 C C LYS A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 534 O O LYS A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 535 C CB LYS A 75 -26.297 4.143 13.852 1.00 0.00 +ATOM 536 C CG LYS A 75 -27.375 3.796 12.788 1.00 0.00 +ATOM 537 C CD LYS A 75 -28.783 3.980 13.376 1.00 0.00 +ATOM 538 C CE LYS A 75 -29.595 4.922 12.465 1.00 0.00 +ATOM 539 N NZ LYS A 75 -29.431 6.312 12.911 1.00 0.00 +ATOM 540 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 541 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 542 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 543 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 544 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 545 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 546 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 547 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 548 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 549 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 554 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 555 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 556 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 561 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 562 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 563 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 564 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 565 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 566 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 567 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 568 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 569 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 570 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 571 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 572 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 573 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 574 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo83_s20.cif b/soup/screen/mmcifs/denovo83_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..a0527c2e40b98d3e77aa3303314cead83cb2f660 --- /dev/null +++ b/soup/screen/mmcifs/denovo83_s20.cif @@ -0,0 +1,627 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 17 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 22 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 23 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 24 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 25 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 26 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 31 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 32 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 33 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 34 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 35 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 36 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 37 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 38 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 39 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 40 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 41 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 42 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 43 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 44 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 45 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 46 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 47 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 48 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 49 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 50 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 51 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 52 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 53 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 54 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 55 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 56 N N ARG A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 57 C CA ARG A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 58 C C ARG A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 59 O O ARG A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 60 C CB ARG A 8 -0.646 0.542 -1.172 1.00 0.00 +ATOM 61 C CG ARG A 8 -0.208 -0.449 -2.258 1.00 0.00 +ATOM 62 C CD ARG A 8 0.279 -1.777 -1.630 1.00 0.00 +ATOM 63 N NE ARG A 8 1.151 -1.512 -0.479 1.00 0.00 +ATOM 64 C CZ ARG A 8 0.352 -1.894 0.784 1.00 0.00 +ATOM 65 N NH1 ARG A 8 0.917 -2.577 1.704 1.00 0.00 +ATOM 66 N NH2 ARG A 8 -0.966 -1.293 1.035 1.00 0.00 +ATOM 67 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 68 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 69 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 70 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 71 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 72 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 73 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 74 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 79 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 80 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 81 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 82 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 83 N N ALA A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 84 C CA ALA A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 85 C C ALA A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 86 O O ALA A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 87 C CB ALA A 11 0.146 -2.016 6.394 1.00 0.00 +ATOM 88 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 93 N N ASP A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 94 C CA ASP A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 95 C C ASP A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 96 O O ASP A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 97 C CB ASP A 13 3.738 1.088 0.488 1.00 0.00 +ATOM 98 C CG ASP A 13 3.009 1.776 1.601 1.00 0.00 +ATOM 99 O OD1 ASP A 13 2.009 1.277 2.111 1.00 0.00 +ATOM 100 O OD2 ASP A 13 3.224 3.195 1.821 1.00 0.00 +ATOM 101 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 102 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 103 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 104 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 105 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 106 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 107 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 108 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 113 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 114 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 115 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 116 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 117 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 118 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 119 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 120 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 121 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 122 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 123 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 124 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 125 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 126 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 127 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 128 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 129 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 130 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 131 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 132 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 133 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 134 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 135 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 136 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 137 N N LYS A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 138 C CA LYS A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 139 C C LYS A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 140 O O LYS A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 141 C CB LYS A 18 13.387 -1.289 13.017 1.00 0.00 +ATOM 142 C CG LYS A 18 12.788 -2.687 13.335 1.00 0.00 +ATOM 143 C CD LYS A 18 11.385 -2.818 12.723 1.00 0.00 +ATOM 144 C CE LYS A 18 11.333 -4.083 11.841 1.00 0.00 +ATOM 145 N NZ LYS A 18 11.700 -3.744 10.460 1.00 0.00 +ATOM 146 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 147 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 148 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 149 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 150 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 151 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 152 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 153 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 154 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 155 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 156 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 157 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 158 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 159 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 160 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 161 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 162 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 163 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 164 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 165 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 166 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 167 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 168 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 169 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 170 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 171 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 172 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 173 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 174 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 175 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 176 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 177 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 178 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 179 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 180 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 181 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 182 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 183 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 184 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 185 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 186 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 187 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 188 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 189 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 190 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 191 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 192 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 193 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 194 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 195 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 196 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 197 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 198 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 199 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 200 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 201 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 202 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 203 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 204 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 205 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 206 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 207 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 208 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 209 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 210 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 211 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 212 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 213 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 214 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 215 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 216 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 217 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 218 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 219 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 220 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 221 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 222 N N ASP A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 223 C CA ASP A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 224 C C ASP A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 225 O O ASP A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 226 C CB ASP A 30 1.480 -19.225 22.725 1.00 0.00 +ATOM 227 C CG ASP A 30 2.271 -18.710 21.562 1.00 0.00 +ATOM 228 O OD1 ASP A 30 3.086 -19.423 20.981 1.00 0.00 +ATOM 229 O OD2 ASP A 30 2.382 -17.278 21.356 1.00 0.00 +ATOM 230 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 231 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 232 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 233 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 234 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 235 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 236 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 237 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 238 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 239 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 240 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 241 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 242 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 243 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 244 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 245 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 246 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 247 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 248 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 249 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 250 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 251 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 252 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 253 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 254 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 255 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 256 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 257 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 258 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 259 N N THR A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 260 C CA THR A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 261 C C THR A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 262 O O THR A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 263 C CB THR A 34 -0.664 -25.791 20.367 1.00 0.00 +ATOM 264 O OG1 THR A 34 -0.207 -25.433 21.684 1.00 0.00 +ATOM 265 C CG2 THR A 34 0.484 -26.485 19.603 1.00 0.00 +ATOM 266 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 267 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 268 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 269 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 270 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 271 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 272 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 273 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 274 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 275 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 276 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 277 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 278 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 279 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 280 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 281 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 282 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 283 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 284 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 285 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 286 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 287 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 288 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 289 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 290 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 291 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 292 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 293 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 294 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 295 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 296 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 297 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 298 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 299 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 300 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 301 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 302 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 303 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 304 N N GLY A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 305 C CA GLY A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 306 C C GLY A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 307 O O GLY A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 308 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 309 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 310 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 311 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 312 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 313 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 314 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 315 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 316 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 317 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 318 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 319 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 320 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 321 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 322 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 323 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 324 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 325 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 326 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 327 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 328 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 329 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 330 N N ARG A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 331 C CA ARG A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 332 C C ARG A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 333 O O ARG A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 334 C CB ARG A 43 -7.988 -23.115 20.942 1.00 0.00 +ATOM 335 C CG ARG A 43 -6.677 -23.507 21.638 1.00 0.00 +ATOM 336 C CD ARG A 43 -6.815 -23.403 23.176 1.00 0.00 +ATOM 337 N NE ARG A 43 -7.503 -22.161 23.547 1.00 0.00 +ATOM 338 C CZ ARG A 43 -8.910 -22.558 24.040 1.00 0.00 +ATOM 339 N NH1 ARG A 43 -9.375 -22.032 25.107 1.00 0.00 +ATOM 340 N NH2 ARG A 43 -9.796 -23.356 23.181 1.00 0.00 +ATOM 341 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 342 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 343 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 344 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 345 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 346 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 347 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 348 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 349 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 350 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 351 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 352 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 353 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 354 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 355 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 356 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 357 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 358 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 359 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 360 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 361 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 362 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 363 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 364 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 365 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 366 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 367 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 368 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 369 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 370 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 371 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 372 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 373 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 374 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 375 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 376 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 377 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 378 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 379 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 380 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 381 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 382 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 383 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 384 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 385 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 386 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 387 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 388 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 389 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 390 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 391 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 392 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 393 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 394 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 395 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 396 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 397 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 398 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 399 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 400 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 401 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 402 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 403 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 404 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 405 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 406 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 407 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 408 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 409 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 410 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 411 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 412 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 413 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 414 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 415 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 416 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 417 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 418 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 419 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 420 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 421 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 422 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 423 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 424 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 425 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 426 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 427 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 428 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 429 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 430 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 431 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 432 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 433 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 434 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 435 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 436 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 437 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 438 N N GLY A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 439 C CA GLY A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 440 C C GLY A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 441 O O GLY A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 442 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 443 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 444 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 445 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 446 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 447 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 448 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 449 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 450 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 451 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 452 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 453 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 454 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 455 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 456 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 457 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 458 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 459 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 460 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 461 N N ASP A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 462 C CA ASP A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 463 C C ASP A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 464 O O ASP A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 465 C CB ASP A 62 -38.739 11.062 16.224 1.00 0.00 +ATOM 466 C CG ASP A 62 -38.632 11.441 17.668 1.00 0.00 +ATOM 467 O OD1 ASP A 62 -38.187 10.655 18.502 1.00 0.00 +ATOM 468 O OD2 ASP A 62 -39.404 12.565 18.167 1.00 0.00 +ATOM 469 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 470 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 471 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 472 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 473 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 474 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 475 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 476 N N ASP A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 477 C CA ASP A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 478 C C ASP A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 479 O O ASP A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 480 C CB ASP A 64 -33.019 15.404 17.162 1.00 0.00 +ATOM 481 C CG ASP A 64 -34.276 15.363 17.976 1.00 0.00 +ATOM 482 O OD1 ASP A 64 -35.381 15.445 17.445 1.00 0.00 +ATOM 483 O OD2 ASP A 64 -34.208 15.624 19.402 1.00 0.00 +ATOM 484 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 485 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 486 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 487 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 488 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 489 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 490 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 491 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 492 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 493 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 494 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 495 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 496 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 497 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 498 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 499 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 500 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 501 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 502 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 503 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 504 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 505 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 506 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 507 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 508 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 509 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 510 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 511 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 512 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 513 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 514 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 515 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 516 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 517 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 518 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 519 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 520 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 521 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 522 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 523 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 524 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 525 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 526 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 527 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 528 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 529 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 530 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 531 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 532 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 533 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 534 N N GLU A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 535 C CA GLU A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 536 C C GLU A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 537 O O GLU A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 538 C CB GLU A 71 -28.383 11.504 26.261 1.00 0.00 +ATOM 539 C CG GLU A 71 -27.325 12.627 26.313 1.00 0.00 +ATOM 540 C CD GLU A 71 -27.046 13.157 24.895 1.00 0.00 +ATOM 541 O OE1 GLU A 71 -26.232 12.590 24.190 1.00 0.00 +ATOM 542 O OE2 GLU A 71 -27.506 14.457 24.525 1.00 0.00 +ATOM 543 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 544 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 545 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 546 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 547 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 548 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 549 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 550 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 551 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 552 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 553 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 554 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 555 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 556 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 557 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 558 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 559 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 560 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 561 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 562 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 563 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 564 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 565 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 566 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 567 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 568 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 569 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 570 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 571 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 572 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 573 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 574 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 575 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 576 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 577 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 578 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 579 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 580 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 581 N N GLU A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 582 C CA GLU A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 583 C C GLU A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 584 O O GLU A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 585 C CB GLU A 77 -25.446 13.132 12.698 1.00 0.00 +ATOM 586 C CG GLU A 77 -26.680 12.491 13.367 1.00 0.00 +ATOM 587 C CD GLU A 77 -26.242 11.598 14.542 1.00 0.00 +ATOM 588 O OE1 GLU A 77 -25.910 10.446 14.332 1.00 0.00 +ATOM 589 O OE2 GLU A 77 -26.506 12.016 15.882 1.00 0.00 +ATOM 590 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 591 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 592 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 593 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 594 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 595 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 596 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 597 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 598 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 599 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 600 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 601 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 602 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 603 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 604 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 605 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 606 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 607 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 608 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 609 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 610 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 611 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo84_s20.cif b/soup/screen/mmcifs/denovo84_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6c9033cac1ac606ae604559e8bbb82616e2c5e9d --- /dev/null +++ b/soup/screen/mmcifs/denovo84_s20.cif @@ -0,0 +1,601 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 17 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 18 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 19 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 24 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 29 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 30 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 31 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 32 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 33 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 34 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 35 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 36 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 37 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 38 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 43 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 44 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 45 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 46 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 51 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 52 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 53 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 54 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 55 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 56 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 57 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 58 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 59 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 60 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 61 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 62 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 63 N N VAL A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 64 C CA VAL A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 65 C C VAL A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 66 O O VAL A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 67 C CB VAL A 9 -4.854 1.513 1.498 1.00 0.00 +ATOM 68 C CG2 VAL A 9 -5.052 0.685 0.203 1.00 0.00 +ATOM 69 C CG1 VAL A 9 -5.744 0.932 2.615 1.00 0.00 +ATOM 70 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 71 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 72 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 73 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 74 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 75 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 76 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 77 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 78 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 79 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 80 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 81 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 82 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 83 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 84 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 85 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 86 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 87 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 88 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 89 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 90 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 91 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 92 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 93 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 94 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 95 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 96 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 97 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 98 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 99 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 100 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 101 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 102 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 103 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 104 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 105 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 106 N N THR A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA THR A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C THR A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O THR A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB THR A 14 6.657 -0.851 4.839 1.00 0.00 +ATOM 111 O OG1 THR A 14 6.661 -1.874 3.826 1.00 0.00 +ATOM 112 C CG2 THR A 14 8.083 -0.696 5.408 1.00 0.00 +ATOM 113 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 114 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 115 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 116 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 117 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 118 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 119 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 120 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 121 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 122 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 123 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 124 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 125 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 126 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 127 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 128 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 129 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 130 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 131 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 132 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 133 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 134 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 135 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 136 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 137 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 138 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 139 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 140 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 141 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 142 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 147 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 148 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 149 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 150 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 151 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 152 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 153 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 154 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 155 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 156 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 157 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 158 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 159 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 160 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 161 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 162 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 163 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 164 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 165 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 166 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 167 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 172 N N ASP A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA ASP A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C ASP A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O ASP A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB ASP A 24 6.318 -11.662 12.890 1.00 0.00 +ATOM 177 C CG ASP A 24 7.780 -11.972 12.784 1.00 0.00 +ATOM 178 O OD1 ASP A 24 8.622 -11.077 12.797 1.00 0.00 +ATOM 179 O OD2 ASP A 24 8.197 -13.265 12.272 1.00 0.00 +ATOM 180 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 181 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 182 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 183 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 184 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 185 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 186 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 187 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 188 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 189 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 190 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 191 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 192 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 193 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 194 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 195 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 196 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 197 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 198 N N VAL A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 199 C CA VAL A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 200 C C VAL A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 201 O O VAL A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 202 C CB VAL A 27 4.747 -18.603 20.852 1.00 0.00 +ATOM 203 C CG2 VAL A 27 3.975 -18.079 19.616 1.00 0.00 +ATOM 204 C CG1 VAL A 27 4.044 -19.863 21.396 1.00 0.00 +ATOM 205 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 206 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 207 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 208 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 209 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 210 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 211 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 212 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 213 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 214 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 215 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 216 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 217 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 218 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 219 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 220 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 221 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 222 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 223 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 224 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 225 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 226 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 227 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 228 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 229 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 230 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 231 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 232 N N GLU A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 233 C CA GLU A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 234 C C GLU A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 235 O O GLU A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 236 C CB GLU A 32 -6.268 -22.754 21.064 1.00 0.00 +ATOM 237 C CG GLU A 32 -6.599 -24.187 20.593 1.00 0.00 +ATOM 238 C CD GLU A 32 -7.422 -24.921 21.667 1.00 0.00 +ATOM 239 O OE1 GLU A 32 -6.850 -25.486 22.581 1.00 0.00 +ATOM 240 O OE2 GLU A 32 -8.804 -25.191 21.435 1.00 0.00 +ATOM 241 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 242 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 243 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 244 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 245 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 246 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 247 N N ASP A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA ASP A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C ASP A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O ASP A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 C CB ASP A 34 -0.596 -25.817 20.416 1.00 0.00 +ATOM 252 C CG ASP A 34 0.156 -25.919 21.707 1.00 0.00 +ATOM 253 O OD1 ASP A 34 -0.333 -25.520 22.761 1.00 0.00 +ATOM 254 O OD2 ASP A 34 1.594 -26.115 21.679 1.00 0.00 +ATOM 255 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 256 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 257 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 258 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 259 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 260 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 269 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 270 N N VAL A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA VAL A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C VAL A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O VAL A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 C CB VAL A 38 -5.287 -25.186 18.260 1.00 0.00 +ATOM 275 C CG2 VAL A 38 -5.855 -26.626 18.227 1.00 0.00 +ATOM 276 C CG1 VAL A 38 -5.463 -24.601 19.676 1.00 0.00 +ATOM 277 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 282 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 283 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 284 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 285 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 286 N N PRO A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA PRO A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C PRO A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O PRO A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB PRO A 40 -1.566 -24.099 23.582 1.00 0.00 +ATOM 291 C CG PRO A 40 -1.641 -22.617 24.020 1.00 0.00 +ATOM 292 C CD PRO A 40 -2.010 -22.589 25.507 1.00 0.00 +ATOM 293 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 294 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 295 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 296 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 297 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 298 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 299 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 300 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 301 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 302 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 303 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 304 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 305 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 306 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 307 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 308 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 309 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 310 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 311 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 312 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 313 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 314 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 315 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 316 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 317 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 318 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 319 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 324 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 325 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 326 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 327 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 328 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 329 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 330 N N LYS A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA LYS A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C LYS A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O LYS A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB LYS A 46 -11.693 -16.734 14.860 1.00 0.00 +ATOM 335 C CG LYS A 46 -13.239 -16.623 14.742 1.00 0.00 +ATOM 336 C CD LYS A 46 -13.909 -17.149 16.020 1.00 0.00 +ATOM 337 C CE LYS A 46 -14.857 -16.067 16.578 1.00 0.00 +ATOM 338 N NZ LYS A 46 -14.136 -15.214 17.531 1.00 0.00 +ATOM 339 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 340 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 341 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 342 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 343 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 344 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 345 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 346 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 347 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 348 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 349 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 350 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 351 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 352 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 353 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 354 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 355 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 356 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 357 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 358 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 359 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 360 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 361 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 362 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 363 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 364 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 365 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 366 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 367 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 368 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 369 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 370 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 371 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 372 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 373 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 374 N N GLU A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA GLU A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C GLU A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O GLU A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB GLU A 52 -18.801 -1.712 9.887 1.00 0.00 +ATOM 379 C CG GLU A 52 -20.245 -1.248 10.178 1.00 0.00 +ATOM 380 C CD GLU A 52 -20.777 -1.937 11.448 1.00 0.00 +ATOM 381 O OE1 GLU A 52 -21.279 -3.043 11.366 1.00 0.00 +ATOM 382 O OE2 GLU A 52 -20.952 -1.176 12.643 1.00 0.00 +ATOM 383 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 388 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 389 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 390 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 391 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 392 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 393 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 394 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 399 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 400 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 401 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 402 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 403 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 404 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 405 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 406 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 407 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 408 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 409 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 410 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 411 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 412 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 413 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 418 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 419 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 420 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 421 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 422 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 423 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 424 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 425 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 426 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 427 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 428 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 429 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 430 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 431 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 432 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 433 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 434 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 435 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 436 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 437 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 438 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 439 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 440 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 441 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 442 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 443 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 444 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 445 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 446 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 447 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 448 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 449 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 450 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 451 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 452 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 453 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 454 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 455 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 456 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 457 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 458 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 459 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 460 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 461 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 462 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 463 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 464 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 465 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 466 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 467 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 468 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 473 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 474 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 475 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 476 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 477 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 478 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 479 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 480 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 481 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 482 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 483 N N LYS A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 484 C CA LYS A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 485 C C LYS A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 486 O O LYS A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 487 C CB LYS A 67 -28.325 15.556 19.052 1.00 0.00 +ATOM 488 C CG LYS A 67 -29.086 15.939 20.352 1.00 0.00 +ATOM 489 C CD LYS A 67 -30.072 14.826 20.739 1.00 0.00 +ATOM 490 C CE LYS A 67 -29.801 14.393 22.195 1.00 0.00 +ATOM 491 N NZ LYS A 67 -28.835 13.287 22.215 1.00 0.00 +ATOM 492 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 493 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 494 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 495 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 496 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 497 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 498 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 499 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 500 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 501 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 502 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 503 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 504 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 505 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 506 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 507 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 508 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 509 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 510 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 511 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 512 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 513 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 514 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 515 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 516 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 517 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 518 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 519 N N ASP A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 520 C CA ASP A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 521 C C ASP A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 522 O O ASP A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 523 C CB ASP A 72 -26.599 9.707 20.964 1.00 0.00 +ATOM 524 C CG ASP A 72 -25.795 8.573 21.521 1.00 0.00 +ATOM 525 O OD1 ASP A 72 -25.271 8.648 22.629 1.00 0.00 +ATOM 526 O OD2 ASP A 72 -25.296 7.547 20.622 1.00 0.00 +ATOM 527 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 528 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 529 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 530 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 531 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 532 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 533 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 534 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 535 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 536 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 537 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 538 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 539 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 540 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 541 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 542 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 543 N N VAL A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 544 C CA VAL A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 545 C C VAL A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 546 O O VAL A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 547 C CB VAL A 75 -26.328 4.137 13.817 1.00 0.00 +ATOM 548 C CG2 VAL A 75 -27.772 3.653 13.531 1.00 0.00 +ATOM 549 C CG1 VAL A 75 -25.448 3.877 12.578 1.00 0.00 +ATOM 550 N N THR A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA THR A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C THR A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O THR A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 C CB THR A 76 -27.893 9.194 11.543 1.00 0.00 +ATOM 555 O OG1 THR A 76 -28.846 9.163 12.621 1.00 0.00 +ATOM 556 C CG2 THR A 76 -27.880 10.606 10.919 1.00 0.00 +ATOM 557 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 558 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 559 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 560 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 561 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 562 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 563 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 564 N N SER A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 565 C CA SER A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 566 C C SER A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 567 O O SER A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 568 C CB SER A 78 -20.054 13.484 12.682 1.00 0.00 +ATOM 569 O OG SER A 78 -20.765 14.733 12.644 1.00 0.00 +ATOM 570 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 571 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 572 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 573 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 574 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 575 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 576 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 577 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 578 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 579 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 580 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 581 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 582 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 583 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 584 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 585 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo85_s20.cif b/soup/screen/mmcifs/denovo85_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..7e8cb7f2884085d33debae874a1617972a4a07cd --- /dev/null +++ b/soup/screen/mmcifs/denovo85_s20.cif @@ -0,0 +1,612 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 10 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 11 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 12 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 17 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 18 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 19 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 20 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 21 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 22 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 23 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 24 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 25 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 26 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 31 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 32 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 33 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 34 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 35 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 36 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 37 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 38 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 39 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 40 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 41 N N VAL A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA VAL A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C VAL A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O VAL A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB VAL A 7 -1.514 5.312 -2.620 1.00 0.00 +ATOM 46 C CG2 VAL A 7 -2.670 5.471 -3.638 1.00 0.00 +ATOM 47 C CG1 VAL A 7 -2.072 4.747 -1.299 1.00 0.00 +ATOM 48 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 49 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 50 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 51 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 52 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 53 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 54 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 55 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 56 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 57 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 58 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 59 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 60 N N VAL A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA VAL A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C VAL A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O VAL A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB VAL A 10 -4.723 -2.672 3.811 1.00 0.00 +ATOM 65 C CG2 VAL A 10 -4.907 -2.748 2.275 1.00 0.00 +ATOM 66 C CG1 VAL A 10 -4.142 -4.006 4.322 1.00 0.00 +ATOM 67 N N PRO A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA PRO A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C PRO A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O PRO A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB PRO A 11 0.133 -2.010 6.401 1.00 0.00 +ATOM 72 C CG PRO A 11 -1.254 -2.354 6.993 1.00 0.00 +ATOM 73 C CD PRO A 11 -1.373 -3.881 7.039 1.00 0.00 +ATOM 74 N N VAL A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 75 C CA VAL A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 76 C C VAL A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 77 O O VAL A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 78 C CB VAL A 12 1.324 -3.447 1.658 1.00 0.00 +ATOM 79 C CG2 VAL A 12 0.243 -2.351 1.487 1.00 0.00 +ATOM 80 C CG1 VAL A 12 2.004 -3.709 0.299 1.00 0.00 +ATOM 81 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 82 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 83 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 84 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 85 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 86 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 87 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 88 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 89 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 90 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 91 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 92 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 93 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 94 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 95 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 96 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 97 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 102 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 103 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 104 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 105 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 106 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 107 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 108 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 109 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 110 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 111 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 112 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 113 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 118 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 119 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 120 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 121 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 126 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 127 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 128 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 129 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 130 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 131 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 132 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 133 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 134 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 135 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 136 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 137 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 138 N N VAL A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 139 C CA VAL A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 140 C C VAL A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 141 O O VAL A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 142 C CB VAL A 20 15.935 -5.617 13.598 1.00 0.00 +ATOM 143 C CG2 VAL A 20 15.999 -4.077 13.745 1.00 0.00 +ATOM 144 C CG1 VAL A 20 15.798 -6.258 14.994 1.00 0.00 +ATOM 145 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 150 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 151 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 152 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 153 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 154 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 155 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 156 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 157 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 158 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 159 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 164 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 165 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 166 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 167 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 168 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 169 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 170 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 171 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 172 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 173 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 174 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 179 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 180 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 181 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 182 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 183 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 184 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 185 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 186 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 187 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 188 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 189 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 190 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 191 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 196 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 197 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 198 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 199 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 200 N N LYS A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 201 C CA LYS A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 202 C C LYS A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 203 O O LYS A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 204 C CB LYS A 28 6.921 -23.121 19.981 1.00 0.00 +ATOM 205 C CG LYS A 28 7.357 -23.226 21.470 1.00 0.00 +ATOM 206 C CD LYS A 28 7.475 -21.825 22.091 1.00 0.00 +ATOM 207 C CE LYS A 28 6.613 -21.762 23.368 1.00 0.00 +ATOM 208 N NZ LYS A 28 5.261 -21.296 23.036 1.00 0.00 +ATOM 209 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 210 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 211 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 212 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 213 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 218 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 219 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 220 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 221 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 222 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 223 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 224 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 225 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 230 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 231 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 232 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 233 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 234 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 235 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 236 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 237 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 238 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 239 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 240 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 241 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 242 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 243 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 244 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 245 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 246 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 247 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 248 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 249 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 250 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 251 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 252 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 253 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 254 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 255 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 256 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 257 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 258 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 259 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 260 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 261 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 262 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 263 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 264 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 265 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 266 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 267 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 268 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 269 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 270 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 271 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 272 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 273 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 274 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 275 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 276 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 277 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 278 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 279 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 280 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 281 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 282 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 283 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 284 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 285 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 290 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 291 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 292 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 293 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 294 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 295 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 296 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 297 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 298 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 299 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 300 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 301 N N THR A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 302 C CA THR A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 303 C C THR A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 304 O O THR A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 305 C CB THR A 42 -3.746 -20.689 18.391 1.00 0.00 +ATOM 306 O OG1 THR A 42 -3.154 -21.869 18.965 1.00 0.00 +ATOM 307 C CG2 THR A 42 -4.533 -21.082 17.123 1.00 0.00 +ATOM 308 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 309 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 310 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 311 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 312 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 313 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 314 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 315 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 316 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 317 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 318 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 319 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 320 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 321 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 326 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 327 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 328 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 329 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 330 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 331 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 332 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 333 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 334 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 335 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 336 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 337 N N GLU A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA GLU A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C GLU A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O GLU A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB GLU A 47 -10.933 -11.599 14.362 1.00 0.00 +ATOM 342 C CG GLU A 47 -9.579 -12.324 14.519 1.00 0.00 +ATOM 343 C CD GLU A 47 -9.092 -12.840 13.153 1.00 0.00 +ATOM 344 O OE1 GLU A 47 -9.482 -13.918 12.743 1.00 0.00 +ATOM 345 O OE2 GLU A 47 -7.978 -12.213 12.518 1.00 0.00 +ATOM 346 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 347 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 348 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 349 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 350 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 351 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 352 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 353 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 354 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 355 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 356 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 357 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 358 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 359 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 360 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 361 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 362 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 363 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 364 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 365 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 366 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 367 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 368 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 369 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 370 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 371 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 372 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 373 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 374 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 379 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 380 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 381 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 382 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 383 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 384 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 385 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 386 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 387 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 388 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 389 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 390 N N SER A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA SER A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C SER A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O SER A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB SER A 54 -24.004 -0.987 4.308 1.00 0.00 +ATOM 395 O OG SER A 54 -24.660 -2.247 4.538 1.00 0.00 +ATOM 396 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 397 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 398 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 399 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 400 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 401 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 402 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 403 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 404 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 405 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 406 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 407 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 408 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 409 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 410 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 411 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 412 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 413 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 414 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 415 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 416 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 417 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 418 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 419 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 420 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 421 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 422 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 423 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 424 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 425 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 426 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 427 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 428 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 429 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 430 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 435 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 436 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 437 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 438 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 439 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 440 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 441 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 442 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 443 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 444 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 445 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 446 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 447 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 448 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 449 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 450 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 451 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 452 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 453 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 454 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 455 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 456 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 457 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 458 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 459 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 460 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 461 N N VAL A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 462 C CA VAL A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 463 C C VAL A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 464 O O VAL A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 465 C CB VAL A 64 -32.959 15.421 17.089 1.00 0.00 +ATOM 466 C CG2 VAL A 64 -34.400 15.750 17.552 1.00 0.00 +ATOM 467 C CG1 VAL A 64 -32.058 15.226 18.325 1.00 0.00 +ATOM 468 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 473 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 474 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 475 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 476 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 477 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 478 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 479 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 480 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 481 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 482 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 483 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 484 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 485 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 486 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 487 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 488 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 489 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 490 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 491 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 492 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 493 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 494 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 495 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 496 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 497 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 498 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 499 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 500 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 501 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 502 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 503 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 504 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 505 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 506 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 507 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 508 N N ALA A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 509 C CA ALA A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 510 C C ALA A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 511 O O ALA A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 512 C CB ALA A 70 -23.700 10.900 26.417 1.00 0.00 +ATOM 513 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 514 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 515 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 516 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 517 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 518 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 519 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 520 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 521 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 522 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 523 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 524 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 525 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 526 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 527 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 528 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 529 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 530 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 531 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 532 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 533 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 534 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 535 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 536 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 537 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 538 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 539 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 540 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 541 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 542 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 543 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 544 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 545 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 546 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 547 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 548 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 549 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 550 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 551 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 552 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 553 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 554 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 555 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 556 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 557 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 558 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 559 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 560 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 561 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 562 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 563 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 564 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 565 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 566 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 567 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 568 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 569 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 570 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 571 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 572 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 573 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 574 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 575 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 576 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 577 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 578 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 579 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 580 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 581 N N GLU A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 582 C CA GLU A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 583 C C GLU A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 584 O O GLU A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 585 C CB GLU A 79 -22.523 9.460 16.699 1.00 0.00 +ATOM 586 C CG GLU A 79 -22.589 8.558 15.447 1.00 0.00 +ATOM 587 C CD GLU A 79 -21.225 7.885 15.207 1.00 0.00 +ATOM 588 O OE1 GLU A 79 -20.363 8.478 14.585 1.00 0.00 +ATOM 589 O OE2 GLU A 79 -21.078 6.486 15.445 1.00 0.00 +ATOM 590 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 591 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 592 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 593 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 594 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 595 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 596 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo86_s20.cif b/soup/screen/mmcifs/denovo86_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..916fd2df083594ec8cffa00c3857b73d0d5be1a8 --- /dev/null +++ b/soup/screen/mmcifs/denovo86_s20.cif @@ -0,0 +1,594 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 15 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 16 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 17 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 22 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 23 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 24 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 29 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 34 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 35 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 36 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 37 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 38 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 39 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 40 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 41 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 42 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 43 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 44 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 45 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 54 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 55 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 56 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 61 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 62 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 63 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 64 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 65 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 66 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 67 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 68 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 69 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 70 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 71 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 72 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 73 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 78 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 79 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 80 N N ALA A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA ALA A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C ALA A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O ALA A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 C CB ALA A 12 1.321 -3.342 1.635 1.00 0.00 +ATOM 85 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 86 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 87 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 88 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 89 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 90 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 91 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 92 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 93 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 94 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 95 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 96 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 97 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 102 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 103 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 104 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 105 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 106 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 107 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 108 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 109 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 110 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 111 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 112 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 113 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 114 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 115 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 116 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 117 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 118 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 119 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 120 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 121 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 126 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 127 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 128 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 129 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 130 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 131 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 132 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 133 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 134 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 135 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 136 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 137 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 142 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 143 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 144 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 145 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 146 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 147 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 148 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 149 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 150 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 151 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 152 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 153 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 154 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 155 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 156 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 157 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 158 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 159 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 160 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 161 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 162 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 163 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 164 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 165 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 166 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 167 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 168 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 169 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 170 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 171 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 172 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 173 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 174 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 175 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 176 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 177 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 178 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 179 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 180 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 181 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 182 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 187 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 188 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 189 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 190 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 191 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 192 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 193 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 194 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 195 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 196 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 197 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 198 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 199 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 200 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 201 N N GLY A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 202 C CA GLY A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 203 C C GLY A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 204 O O GLY A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 205 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 206 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 207 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 208 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 209 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 210 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 211 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 212 N N LYS A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 213 C CA LYS A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 214 C C LYS A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 215 O O LYS A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 216 C CB LYS A 33 -5.739 -27.409 23.568 1.00 0.00 +ATOM 217 C CG LYS A 33 -6.787 -27.621 22.440 1.00 0.00 +ATOM 218 C CD LYS A 33 -7.556 -26.318 22.174 1.00 0.00 +ATOM 219 C CE LYS A 33 -7.461 -25.970 20.675 1.00 0.00 +ATOM 220 N NZ LYS A 33 -6.295 -25.111 20.434 1.00 0.00 +ATOM 221 N N GLU A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 222 C CA GLU A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 223 C C GLU A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 224 O O GLU A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 225 C CB GLU A 34 -0.630 -25.826 20.348 1.00 0.00 +ATOM 226 C CG GLU A 34 -0.292 -25.128 21.683 1.00 0.00 +ATOM 227 C CD GLU A 34 0.253 -26.154 22.693 1.00 0.00 +ATOM 228 O OE1 GLU A 34 -0.524 -26.803 23.370 1.00 0.00 +ATOM 229 O OE2 GLU A 34 1.636 -26.131 23.046 1.00 0.00 +ATOM 230 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 231 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 232 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 233 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 234 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 235 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 236 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 237 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 238 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 239 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 240 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 241 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 242 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 243 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 244 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 245 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 246 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 247 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 248 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 249 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 250 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 251 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 252 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 253 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 254 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 255 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 256 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 257 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 258 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 259 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 260 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 261 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 262 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 263 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 264 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 265 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 266 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 267 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 268 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 269 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 270 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 271 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 272 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 273 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 274 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 275 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 276 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 277 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 278 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 279 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 280 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 281 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 282 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 283 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 284 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 285 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 286 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 287 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 288 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 289 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 290 N N VAL A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 291 C CA VAL A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 292 C C VAL A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 293 O O VAL A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 294 C CB VAL A 42 -3.745 -20.680 18.376 1.00 0.00 +ATOM 295 C CG2 VAL A 42 -3.115 -21.969 18.959 1.00 0.00 +ATOM 296 C CG1 VAL A 42 -4.535 -21.030 17.099 1.00 0.00 +ATOM 297 N N ASP A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 298 C CA ASP A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 299 C C ASP A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 300 O O ASP A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 301 C CB ASP A 43 -7.962 -23.122 20.977 1.00 0.00 +ATOM 302 C CG ASP A 43 -7.239 -23.232 22.285 1.00 0.00 +ATOM 303 O OD1 ASP A 43 -7.188 -24.297 22.896 1.00 0.00 +ATOM 304 O OD2 ASP A 43 -6.937 -22.026 23.034 1.00 0.00 +ATOM 305 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 306 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 307 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 308 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 309 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 310 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 311 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 312 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 313 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 314 N N ARG A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 315 C CA ARG A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 316 C C ARG A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 317 O O ARG A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 318 C CB ARG A 45 -12.027 -15.350 20.450 1.00 0.00 +ATOM 319 C CG ARG A 45 -11.177 -14.856 21.630 1.00 0.00 +ATOM 320 C CD ARG A 45 -10.392 -13.579 21.247 1.00 0.00 +ATOM 321 N NE ARG A 45 -9.791 -13.725 19.916 1.00 0.00 +ATOM 322 C CZ ARG A 45 -10.585 -12.807 18.963 1.00 0.00 +ATOM 323 N NH1 ARG A 45 -9.957 -12.063 18.137 1.00 0.00 +ATOM 324 N NH2 ARG A 45 -12.043 -12.949 18.847 1.00 0.00 +ATOM 325 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 326 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 327 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 328 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 329 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 330 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 331 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 332 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 333 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 334 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 335 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 336 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 337 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 338 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 339 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 340 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 341 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 342 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 343 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 344 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 345 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 346 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 347 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 348 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 349 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 350 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 351 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 352 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 353 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 354 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 355 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 356 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 357 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 358 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 359 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 360 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 361 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 362 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 363 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 364 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 365 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 366 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 367 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 368 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 369 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 370 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 371 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 372 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 373 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 374 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 375 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 376 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 377 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 378 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 379 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 380 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 381 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 382 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 383 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 384 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 385 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 386 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 387 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 388 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 389 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 390 N N ARG A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 391 C CA ARG A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 392 C C ARG A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 393 O O ARG A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 394 C CB ARG A 56 -25.457 3.712 12.570 1.00 0.00 +ATOM 395 C CG ARG A 56 -26.553 4.265 11.648 1.00 0.00 +ATOM 396 C CD ARG A 56 -27.952 4.081 12.281 1.00 0.00 +ATOM 397 N NE ARG A 56 -28.083 2.736 12.856 1.00 0.00 +ATOM 398 C CZ ARG A 56 -28.062 2.902 14.390 1.00 0.00 +ATOM 399 N NH1 ARG A 56 -28.914 2.270 15.103 1.00 0.00 +ATOM 400 N NH2 ARG A 56 -26.943 3.594 15.043 1.00 0.00 +ATOM 401 N N GLY A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 402 C CA GLY A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 403 C C GLY A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 404 O O GLY A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 405 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 406 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 407 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 408 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 409 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 410 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 411 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 412 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 413 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 414 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 415 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 416 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 417 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 418 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 419 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 420 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 421 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 422 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 423 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 424 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 425 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 426 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 427 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 428 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 429 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 430 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 431 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 432 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 433 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 434 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 435 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 436 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 437 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 438 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 439 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 440 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 441 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 442 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 443 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 444 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 445 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 446 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 447 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 448 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 449 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 450 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 451 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 452 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 453 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 454 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 455 N N SER A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 456 C CA SER A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 457 C C SER A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 458 O O SER A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 459 C CB SER A 65 -32.883 10.657 18.622 1.00 0.00 +ATOM 460 O OG SER A 65 -32.959 10.619 17.185 1.00 0.00 +ATOM 461 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 462 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 463 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 464 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 465 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 466 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 467 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 468 N N ASP A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 469 C CA ASP A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 470 C C ASP A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 471 O O ASP A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 472 C CB ASP A 67 -28.378 15.591 19.181 1.00 0.00 +ATOM 473 C CG ASP A 67 -29.284 15.643 20.373 1.00 0.00 +ATOM 474 O OD1 ASP A 67 -30.093 14.746 20.597 1.00 0.00 +ATOM 475 O OD2 ASP A 67 -29.500 16.911 21.046 1.00 0.00 +ATOM 476 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 477 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 478 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 479 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 480 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 481 N N LYS A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 482 C CA LYS A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 483 C C LYS A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 484 O O LYS A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 485 C CB LYS A 69 -21.766 13.614 22.959 1.00 0.00 +ATOM 486 C CG LYS A 69 -22.087 14.064 24.412 1.00 0.00 +ATOM 487 C CD LYS A 69 -22.883 12.973 25.144 1.00 0.00 +ATOM 488 C CE LYS A 69 -22.163 12.615 26.460 1.00 0.00 +ATOM 489 N NZ LYS A 69 -21.222 11.511 26.229 1.00 0.00 +ATOM 490 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 491 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 492 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 493 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 494 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 495 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 496 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 497 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 498 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 499 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 500 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 501 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 502 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 503 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 504 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 505 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 506 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 507 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 508 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 509 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 510 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 511 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 512 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 513 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 514 N N GLU A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 515 C CA GLU A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 516 C C GLU A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 517 O O GLU A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 518 C CB GLU A 73 -30.739 6.817 21.422 1.00 0.00 +ATOM 519 C CG GLU A 73 -31.013 8.257 21.906 1.00 0.00 +ATOM 520 C CD GLU A 73 -32.148 8.261 22.945 1.00 0.00 +ATOM 521 O OE1 GLU A 73 -33.306 8.296 22.571 1.00 0.00 +ATOM 522 O OE2 GLU A 73 -31.848 8.520 24.316 1.00 0.00 +ATOM 523 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 524 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 525 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 526 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 527 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 528 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 529 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 530 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 531 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 532 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 533 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 534 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 535 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 536 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 537 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 538 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 539 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 540 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 541 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 542 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 543 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 544 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 545 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 546 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 547 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 548 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 549 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 550 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 551 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 552 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 553 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 554 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 555 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 556 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 561 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 562 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 563 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 564 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 565 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 566 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 567 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 568 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 569 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 570 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 571 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 572 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 573 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 574 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 575 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 576 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 577 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 578 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo87_s20.cif b/soup/screen/mmcifs/denovo87_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..18c36b3cbb9bf304f91fb77d018b4d4c0e709de4 --- /dev/null +++ b/soup/screen/mmcifs/denovo87_s20.cif @@ -0,0 +1,603 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N ALA A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA ALA A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C ALA A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O ALA A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB ALA A 2 2.192 4.239 0.397 1.00 0.00 +ATOM 14 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 19 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 20 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 21 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 22 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 27 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 28 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 29 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 30 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 31 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 32 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 33 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 34 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 35 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 40 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 41 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 42 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 43 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 44 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 45 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 46 N N ALA A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 47 C CA ALA A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 48 C C ALA A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 49 O O ALA A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 50 C CB ALA A 7 -1.580 5.248 -2.674 1.00 0.00 +ATOM 51 N N ALA A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA ALA A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C ALA A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O ALA A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB ALA A 8 -0.645 0.603 -1.149 1.00 0.00 +ATOM 56 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 61 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 62 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 63 N N LYS A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 64 C CA LYS A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 65 C C LYS A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 66 O O LYS A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 67 C CB LYS A 10 -4.741 -2.651 3.850 1.00 0.00 +ATOM 68 C CG LYS A 10 -4.328 -3.327 2.513 1.00 0.00 +ATOM 69 C CD LYS A 10 -4.552 -2.365 1.337 1.00 0.00 +ATOM 70 C CE LYS A 10 -3.241 -2.227 0.537 1.00 0.00 +ATOM 71 N NZ LYS A 10 -2.451 -1.105 1.061 1.00 0.00 +ATOM 72 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 77 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 78 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 79 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 84 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 85 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 86 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 87 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 88 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 89 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 90 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 91 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 92 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 93 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 94 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 95 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 100 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 101 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 102 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 103 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 104 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 105 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 106 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 107 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 108 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 109 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 110 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 111 N N VAL A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 112 C CA VAL A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 113 C C VAL A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 114 O O VAL A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 115 C CB VAL A 16 10.302 3.904 8.773 1.00 0.00 +ATOM 116 C CG2 VAL A 16 8.783 3.606 8.822 1.00 0.00 +ATOM 117 C CG1 VAL A 16 10.944 3.500 10.116 1.00 0.00 +ATOM 118 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 119 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 120 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 121 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 122 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 123 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 124 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 125 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 126 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 127 N N GLU A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 128 C CA GLU A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 129 C C GLU A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 130 O O GLU A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 131 C CB GLU A 18 13.400 -1.373 13.026 1.00 0.00 +ATOM 132 C CG GLU A 18 11.969 -1.895 13.281 1.00 0.00 +ATOM 133 C CD GLU A 18 11.847 -3.356 12.810 1.00 0.00 +ATOM 134 O OE1 GLU A 18 11.595 -3.592 11.643 1.00 0.00 +ATOM 135 O OE2 GLU A 18 11.734 -4.401 13.776 1.00 0.00 +ATOM 136 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 137 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 138 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 139 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 140 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 141 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 142 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 143 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 144 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 145 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 146 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 147 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 148 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 149 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 150 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 151 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 152 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 157 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 158 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 159 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 160 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 161 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 162 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 163 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 164 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 165 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 166 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 167 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 N N ALA A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 172 C CA ALA A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 173 C C ALA A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 174 O O ALA A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 175 C CB ALA A 24 6.330 -11.641 12.927 1.00 0.00 +ATOM 176 N N ARG A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 177 C CA ARG A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 178 C C ARG A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 179 O O ARG A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 180 C CB ARG A 25 3.938 -12.858 18.310 1.00 0.00 +ATOM 181 C CG ARG A 25 2.817 -12.204 17.489 1.00 0.00 +ATOM 182 C CD ARG A 25 1.928 -13.277 16.816 1.00 0.00 +ATOM 183 N NE ARG A 25 2.757 -14.331 16.221 1.00 0.00 +ATOM 184 C CZ ARG A 25 2.581 -15.588 17.099 1.00 0.00 +ATOM 185 N NH1 ARG A 25 2.391 -16.723 16.544 1.00 0.00 +ATOM 186 N NH2 ARG A 25 2.853 -15.524 18.542 1.00 0.00 +ATOM 187 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 188 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 189 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 190 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 191 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 192 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 193 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 194 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 195 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 200 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 201 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 202 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 203 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 204 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 205 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 206 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 207 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 208 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 209 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 210 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 211 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 212 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 213 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 214 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 215 N N THR A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 216 C CA THR A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 217 C C THR A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 218 O O THR A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 219 C CB THR A 31 -2.516 -19.736 19.304 1.00 0.00 +ATOM 220 O OG1 THR A 31 -2.125 -18.356 19.188 1.00 0.00 +ATOM 221 C CG2 THR A 31 -1.370 -20.632 18.788 1.00 0.00 +ATOM 222 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 223 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 224 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 225 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 226 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 227 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 228 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 229 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 230 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 231 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 232 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 233 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 234 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 235 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 236 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 237 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 238 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 239 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 240 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 241 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 242 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 243 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 244 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 245 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 246 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 247 N N VAL A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA VAL A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C VAL A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O VAL A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB VAL A 35 -2.625 -31.150 20.636 1.00 0.00 +ATOM 252 C CG2 VAL A 35 -3.954 -30.468 21.042 1.00 0.00 +ATOM 253 C CG1 VAL A 35 -2.901 -32.618 20.250 1.00 0.00 +ATOM 254 N N ARG A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA ARG A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C ARG A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O ARG A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB ARG A 36 -3.503 -31.562 15.652 1.00 0.00 +ATOM 259 C CG ARG A 36 -4.283 -31.497 16.973 1.00 0.00 +ATOM 260 C CD ARG A 36 -5.507 -30.559 16.846 1.00 0.00 +ATOM 261 N NE ARG A 36 -5.137 -29.323 16.148 1.00 0.00 +ATOM 262 C CZ ARG A 36 -5.786 -29.387 14.749 1.00 0.00 +ATOM 263 N NH1 ARG A 36 -6.389 -28.360 14.288 1.00 0.00 +ATOM 264 N NH2 ARG A 36 -5.524 -30.531 13.866 1.00 0.00 +ATOM 265 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 266 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 267 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 268 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 269 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 270 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 271 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 272 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 273 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 274 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 275 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 276 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 277 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 278 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 279 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 280 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 281 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 282 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 283 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 284 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 285 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 286 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 291 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 292 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 293 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 294 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 295 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 296 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 297 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 298 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 299 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 300 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 301 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 302 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 303 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 304 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 305 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 306 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 307 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 308 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 309 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 310 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 311 N N THR A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 312 C CA THR A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 313 C C THR A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 314 O O THR A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 315 C CB THR A 43 -7.965 -23.110 20.891 1.00 0.00 +ATOM 316 O OG1 THR A 43 -6.888 -23.371 21.809 1.00 0.00 +ATOM 317 C CG2 THR A 43 -9.304 -23.486 21.559 1.00 0.00 +ATOM 318 N N SER A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 319 C CA SER A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 320 C C SER A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 321 O O SER A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 322 C CB SER A 44 -8.363 -17.327 22.648 1.00 0.00 +ATOM 323 O OG SER A 44 -7.454 -16.977 21.589 1.00 0.00 +ATOM 324 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 325 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 326 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 327 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 328 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 329 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 330 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 331 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 332 N N ALA A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 333 C CA ALA A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 334 C C ALA A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 335 O O ALA A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 336 C CB ALA A 46 -11.833 -16.683 14.887 1.00 0.00 +ATOM 337 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 342 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 343 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 344 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 345 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 346 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 347 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 348 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 349 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 350 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 351 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 352 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 353 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 354 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 355 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 356 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 357 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 358 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 359 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 360 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 361 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 362 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 363 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 364 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 365 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 366 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 367 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 368 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 369 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 370 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 371 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 372 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 373 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 374 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 379 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 380 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 381 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 382 N N VAL A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 383 C CA VAL A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 384 C C VAL A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 385 O O VAL A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 386 C CB VAL A 53 -23.341 -3.236 9.713 1.00 0.00 +ATOM 387 C CG2 VAL A 53 -22.818 -2.512 10.978 1.00 0.00 +ATOM 388 C CG1 VAL A 53 -24.838 -2.916 9.525 1.00 0.00 +ATOM 389 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 390 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 391 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 392 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 393 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 394 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 395 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 396 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 397 N N ARG A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 398 C CA ARG A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 399 C C ARG A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 400 O O ARG A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 401 C CB ARG A 55 -26.763 0.136 8.680 1.00 0.00 +ATOM 402 C CG ARG A 55 -26.605 -1.316 8.208 1.00 0.00 +ATOM 403 C CD ARG A 55 -26.442 -2.273 9.412 1.00 0.00 +ATOM 404 N NE ARG A 55 -25.504 -1.711 10.392 1.00 0.00 +ATOM 405 C CZ ARG A 55 -26.342 -1.273 11.612 1.00 0.00 +ATOM 406 N NH1 ARG A 55 -25.938 -1.561 12.789 1.00 0.00 +ATOM 407 N NH2 ARG A 55 -27.467 -0.343 11.439 1.00 0.00 +ATOM 408 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 409 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 410 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 411 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 412 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 413 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 414 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 415 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 416 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 417 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 418 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 419 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 420 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 421 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 422 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 423 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 424 N N GLU A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 425 C CA GLU A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 426 C C GLU A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 427 O O GLU A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 428 C CB GLU A 58 -31.870 -0.512 14.203 1.00 0.00 +ATOM 429 C CG GLU A 58 -30.942 -1.423 15.034 1.00 0.00 +ATOM 430 C CD GLU A 58 -30.830 -0.892 16.475 1.00 0.00 +ATOM 431 O OE1 GLU A 58 -30.013 -0.028 16.735 1.00 0.00 +ATOM 432 O OE2 GLU A 58 -31.456 -1.606 17.541 1.00 0.00 +ATOM 433 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 434 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 435 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 436 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 437 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 438 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 439 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 440 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 441 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 442 N N ALA A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 443 C CA ALA A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 444 C C ALA A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 445 O O ALA A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 446 C CB ALA A 60 -33.527 6.573 15.266 1.00 0.00 +ATOM 447 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 448 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 449 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 450 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 451 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 452 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 453 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 454 N N VAL A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 455 C CA VAL A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 456 C C VAL A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 457 O O VAL A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 458 C CB VAL A 62 -38.744 11.008 16.144 1.00 0.00 +ATOM 459 C CG2 VAL A 62 -38.784 10.874 17.687 1.00 0.00 +ATOM 460 C CG1 VAL A 62 -39.287 12.393 15.738 1.00 0.00 +ATOM 461 N N ARG A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 462 C CA ARG A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 463 C C ARG A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 464 O O ARG A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 465 C CB ARG A 63 -37.547 15.587 15.124 1.00 0.00 +ATOM 466 C CG ARG A 63 -38.796 15.074 15.854 1.00 0.00 +ATOM 467 C CD ARG A 63 -38.703 15.356 17.372 1.00 0.00 +ATOM 468 N NE ARG A 63 -37.366 15.021 17.876 1.00 0.00 +ATOM 469 C CZ ARG A 63 -36.658 16.357 18.186 1.00 0.00 +ATOM 470 N NH1 ARG A 63 -36.013 16.489 19.281 1.00 0.00 +ATOM 471 N NH2 ARG A 63 -36.532 17.385 17.143 1.00 0.00 +ATOM 472 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 473 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 474 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 475 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 476 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 477 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 478 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 479 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 480 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 481 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 482 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 483 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 484 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 485 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 486 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 487 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 488 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 489 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 490 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 491 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 492 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 493 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 494 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 495 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 496 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 497 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 498 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 499 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 500 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 501 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 502 N N SER A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 503 C CA SER A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 504 C C SER A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 505 O O SER A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 506 C CB SER A 69 -21.824 13.619 23.051 1.00 0.00 +ATOM 507 O OG SER A 69 -22.228 14.613 24.010 1.00 0.00 +ATOM 508 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 509 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 510 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 511 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 512 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 513 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 514 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 515 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 516 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 517 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 518 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 519 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 520 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 521 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 522 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 523 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 524 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 525 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 526 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 527 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 528 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 529 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 530 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 531 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 532 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 533 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 534 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 535 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 536 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 537 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 538 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 539 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 540 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 541 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 542 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 543 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 544 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 545 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 546 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 547 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 548 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 549 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 550 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 551 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 552 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 553 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 554 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 555 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 556 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 557 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 558 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 559 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 560 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 561 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 562 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 563 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 564 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 565 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 566 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 567 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 568 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 569 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 570 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 571 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 572 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 573 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 574 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 575 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 576 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 577 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 578 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 579 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 580 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 581 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 582 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 583 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 584 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 585 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 586 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 587 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo88_s20.cif b/soup/screen/mmcifs/denovo88_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..ea2c85ddc37abfc5005a294a6727f7fd3446f13f --- /dev/null +++ b/soup/screen/mmcifs/denovo88_s20.cif @@ -0,0 +1,591 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N GLU A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA GLU A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C GLU A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O GLU A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB GLU A 2 2.155 4.320 0.378 1.00 0.00 +ATOM 13 C CG GLU A 2 2.264 3.262 1.497 1.00 0.00 +ATOM 14 C CD GLU A 2 2.140 3.934 2.876 1.00 0.00 +ATOM 15 O OE1 GLU A 2 3.127 4.415 3.402 1.00 0.00 +ATOM 16 O OE2 GLU A 2 0.960 3.734 3.655 1.00 0.00 +ATOM 17 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 22 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 23 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 24 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 25 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 26 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 27 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 28 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 29 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 30 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 31 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 32 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 33 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 38 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 39 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 40 N N ALA A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA ALA A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C ALA A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O ALA A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB ALA A 6 -0.314 4.406 -7.295 1.00 0.00 +ATOM 45 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 46 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 47 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 48 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 49 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 50 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 51 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 52 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 53 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 54 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 55 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 56 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 57 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 58 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 59 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 60 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 61 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 62 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 63 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 64 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 65 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 66 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 67 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 68 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 73 N N GLY A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA GLY A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C GLY A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O GLY A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 82 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 83 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 84 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 85 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 86 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 87 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 88 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 89 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 90 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 91 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 92 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 93 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 94 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 95 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 96 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 97 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 98 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 99 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 100 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 101 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 106 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 107 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 108 N N SER A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA SER A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C SER A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O SER A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB SER A 16 10.278 3.844 8.779 1.00 0.00 +ATOM 113 O OG SER A 16 8.902 3.429 8.845 1.00 0.00 +ATOM 114 N N THR A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 115 C CA THR A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 116 C C THR A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 117 O O THR A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 118 C CB THR A 17 10.939 -1.377 7.706 1.00 0.00 +ATOM 119 O OG1 THR A 17 11.293 -0.689 6.492 1.00 0.00 +ATOM 120 C CG2 THR A 17 11.895 -2.572 7.908 1.00 0.00 +ATOM 121 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 122 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 123 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 124 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 125 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 126 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 127 N N PRO A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 128 C CA PRO A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 129 C C PRO A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 130 O O PRO A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 131 C CB PRO A 19 16.143 -3.470 8.830 1.00 0.00 +ATOM 132 C CG PRO A 19 16.227 -2.002 9.313 1.00 0.00 +ATOM 133 C CD PRO A 19 17.437 -1.889 10.247 1.00 0.00 +ATOM 134 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 135 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 136 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 137 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 138 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 139 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 140 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 141 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 142 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 143 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 144 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 145 N N GLY A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 146 C CA GLY A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 147 C C GLY A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 148 O O GLY A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 149 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 154 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 155 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 156 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 157 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 158 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 159 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 160 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 161 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 162 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 163 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 164 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 165 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 166 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 167 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 168 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 169 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 170 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 171 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 172 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 173 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 174 N N THR A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 175 C CA THR A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 176 C C THR A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 177 O O THR A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 178 C CB THR A 25 3.968 -12.810 18.316 1.00 0.00 +ATOM 179 O OG1 THR A 25 2.863 -12.501 17.446 1.00 0.00 +ATOM 180 C CG2 THR A 25 3.673 -14.128 19.062 1.00 0.00 +ATOM 181 N N VAL A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA VAL A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C VAL A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O VAL A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB VAL A 26 8.106 -16.666 17.486 1.00 0.00 +ATOM 186 C CG2 VAL A 26 8.828 -15.737 18.493 1.00 0.00 +ATOM 187 C CG1 VAL A 26 8.510 -18.129 17.762 1.00 0.00 +ATOM 188 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 193 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 194 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 195 N N VAL A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA VAL A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C VAL A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O VAL A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB VAL A 28 6.929 -23.126 20.028 1.00 0.00 +ATOM 200 C CG2 VAL A 28 7.631 -22.453 21.233 1.00 0.00 +ATOM 201 C CG1 VAL A 28 6.921 -24.655 20.231 1.00 0.00 +ATOM 202 N N ALA A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 203 C CA ALA A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 204 C C ALA A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 205 O O ALA A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 206 C CB ALA A 29 2.677 -24.794 22.082 1.00 0.00 +ATOM 207 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 208 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 209 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 210 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 211 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 212 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 213 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 214 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 215 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 216 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 221 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 222 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 223 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 224 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 225 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 230 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 231 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 232 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 233 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 234 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 235 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 236 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 237 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 238 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 239 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 240 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 241 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 242 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 243 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 244 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 245 N N GLU A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 246 C CA GLU A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 247 C C GLU A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 248 O O GLU A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 249 C CB GLU A 35 -2.648 -31.180 20.606 1.00 0.00 +ATOM 250 C CG GLU A 35 -3.761 -30.351 21.283 1.00 0.00 +ATOM 251 C CD GLU A 35 -4.973 -30.224 20.344 1.00 0.00 +ATOM 252 O OE1 GLU A 35 -4.995 -29.341 19.506 1.00 0.00 +ATOM 253 O OE2 GLU A 35 -6.176 -30.933 20.644 1.00 0.00 +ATOM 254 N N GLU A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 255 C CA GLU A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 256 C C GLU A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 257 O O GLU A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 258 C CB GLU A 36 -3.480 -31.571 15.632 1.00 0.00 +ATOM 259 C CG GLU A 36 -4.289 -31.538 16.947 1.00 0.00 +ATOM 260 C CD GLU A 36 -5.091 -30.228 17.043 1.00 0.00 +ATOM 261 O OE1 GLU A 36 -4.559 -29.228 17.488 1.00 0.00 +ATOM 262 O OE2 GLU A 36 -6.511 -30.259 16.897 1.00 0.00 +ATOM 263 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 264 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 265 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 266 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 267 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 268 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 269 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 270 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 271 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 272 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 273 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 274 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 275 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 276 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 277 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 278 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 279 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 280 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 281 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 282 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 283 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 284 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 285 N N GLY A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA GLY A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C GLY A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O GLY A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 290 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 291 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 292 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 293 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 294 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 295 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 296 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 297 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 298 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 299 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 300 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 301 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 302 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 303 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 304 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 305 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 306 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 307 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 308 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 309 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 310 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 311 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 312 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 313 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 314 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 315 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 316 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 317 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 318 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 319 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 320 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 321 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 322 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 323 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 324 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 325 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 326 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 327 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 328 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 329 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 330 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 331 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 332 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 333 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 334 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 335 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 336 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 337 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 338 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 339 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 340 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 341 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 342 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 343 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 344 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 345 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 346 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 347 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 348 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 349 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 350 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 351 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 352 N N ARG A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 353 C CA ARG A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 354 C C ARG A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 355 O O ARG A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 356 C CB ARG A 50 -16.448 -6.762 6.338 1.00 0.00 +ATOM 357 C CG ARG A 50 -16.660 -7.458 7.690 1.00 0.00 +ATOM 358 C CD ARG A 50 -17.442 -8.781 7.513 1.00 0.00 +ATOM 359 N NE ARG A 50 -18.573 -8.591 6.597 1.00 0.00 +ATOM 360 C CZ ARG A 50 -18.213 -9.318 5.284 1.00 0.00 +ATOM 361 N NH1 ARG A 50 -19.086 -10.056 4.714 1.00 0.00 +ATOM 362 N NH2 ARG A 50 -16.967 -8.992 4.578 1.00 0.00 +ATOM 363 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 364 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 365 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 366 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 367 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 368 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 369 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 370 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 371 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 372 N N PRO A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 373 C CA PRO A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 374 C C PRO A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 375 O O PRO A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 376 C CB PRO A 52 -18.785 -1.690 9.793 1.00 0.00 +ATOM 377 C CG PRO A 52 -20.265 -1.239 9.817 1.00 0.00 +ATOM 378 C CD PRO A 52 -20.627 -0.912 11.270 1.00 0.00 +ATOM 379 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 384 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 385 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 386 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 387 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 388 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 389 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 390 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 391 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 392 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 393 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 394 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 395 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 396 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 397 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 398 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 399 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 400 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 401 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 402 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 403 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 404 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 405 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 406 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 407 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 408 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 409 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 410 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 411 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 412 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 413 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 414 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 415 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 416 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 417 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 418 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 419 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 420 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 421 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 422 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 423 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 424 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 425 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 426 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 427 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 428 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 429 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 430 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 431 N N GLU A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 432 C CA GLU A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 433 C C GLU A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 434 O O GLU A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 435 C CB GLU A 60 -33.466 6.630 15.229 1.00 0.00 +ATOM 436 C CG GLU A 60 -34.389 5.439 14.889 1.00 0.00 +ATOM 437 C CD GLU A 60 -35.649 5.477 15.773 1.00 0.00 +ATOM 438 O OE1 GLU A 60 -35.619 4.980 16.884 1.00 0.00 +ATOM 439 O OE2 GLU A 60 -36.908 5.817 15.193 1.00 0.00 +ATOM 440 N N GLU A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 441 C CA GLU A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 442 C C GLU A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 443 O O GLU A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 444 C CB GLU A 61 -34.072 9.643 19.204 1.00 0.00 +ATOM 445 C CG GLU A 61 -34.326 11.158 19.356 1.00 0.00 +ATOM 446 C CD GLU A 61 -35.637 11.402 20.124 1.00 0.00 +ATOM 447 O OE1 GLU A 61 -36.695 11.409 19.522 1.00 0.00 +ATOM 448 O OE2 GLU A 61 -35.590 11.906 21.459 1.00 0.00 +ATOM 449 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 450 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 451 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 452 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 453 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 454 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 455 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 456 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 457 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 458 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 459 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 460 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 461 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 462 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 463 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 464 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 465 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 466 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 467 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 468 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 N N THR A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 473 C CA THR A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 474 C C THR A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 475 O O THR A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 476 C CB THR A 66 -28.223 9.805 19.418 1.00 0.00 +ATOM 477 O OG1 THR A 66 -28.986 9.936 18.204 1.00 0.00 +ATOM 478 C CG2 THR A 66 -26.719 9.845 19.078 1.00 0.00 +ATOM 479 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 480 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 481 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 482 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 483 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 484 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 485 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 486 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 487 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 488 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 489 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 490 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 491 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 492 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 493 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 494 N N ASP A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 495 C CA ASP A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 496 C C ASP A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 497 O O ASP A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 498 C CB ASP A 69 -21.805 13.640 23.095 1.00 0.00 +ATOM 499 C CG ASP A 69 -22.274 14.354 24.325 1.00 0.00 +ATOM 500 O OD1 ASP A 69 -23.052 13.821 25.113 1.00 0.00 +ATOM 501 O OD2 ASP A 69 -22.142 15.797 24.403 1.00 0.00 +ATOM 502 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 503 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 504 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 505 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 506 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 507 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 508 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 509 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 510 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 511 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 512 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 513 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 514 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 515 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 516 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 517 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 518 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 519 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 520 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 521 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 522 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 523 N N ARG A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 524 C CA ARG A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 525 C C ARG A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 526 O O ARG A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 527 C CB ARG A 73 -30.751 6.846 21.422 1.00 0.00 +ATOM 528 C CG ARG A 73 -30.989 8.292 21.880 1.00 0.00 +ATOM 529 C CD ARG A 73 -31.621 8.327 23.292 1.00 0.00 +ATOM 530 N NE ARG A 73 -32.696 7.334 23.398 1.00 0.00 +ATOM 531 C CZ ARG A 73 -32.171 6.202 24.307 1.00 0.00 +ATOM 532 N NH1 ARG A 73 -32.923 5.736 25.229 1.00 0.00 +ATOM 533 N NH2 ARG A 73 -30.916 5.513 23.978 1.00 0.00 +ATOM 534 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 535 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 536 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 537 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 538 N N GLY A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 539 C CA GLY A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 540 C C GLY A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 541 O O GLY A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 542 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 543 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 544 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 545 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 546 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 547 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 548 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 549 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 550 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 551 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 552 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 553 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 554 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 555 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 556 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 557 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 558 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 559 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 560 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 561 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 562 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 563 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 564 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 565 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 566 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 567 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 568 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 569 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 570 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 571 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 572 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 573 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 574 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 575 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo89_s20.cif b/soup/screen/mmcifs/denovo89_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b743514af6e219f6f75c39a47c5e631616b3f070 --- /dev/null +++ b/soup/screen/mmcifs/denovo89_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N VAL A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA VAL A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C VAL A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O VAL A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB VAL A 1 2.045 -0.821 -1.185 1.00 0.00 +ATOM 6 C CG2 VAL A 1 1.113 -0.719 -2.418 1.00 0.00 +ATOM 7 C CG1 VAL A 1 3.464 -0.363 -1.579 1.00 0.00 +ATOM 8 N N ASP A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ASP A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ASP A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ASP A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ASP A 2 2.191 4.273 0.426 1.00 0.00 +ATOM 13 C CG ASP A 2 3.118 3.407 1.221 1.00 0.00 +ATOM 14 O OD1 ASP A 2 2.812 2.255 1.520 1.00 0.00 +ATOM 15 O OD2 ASP A 2 4.192 4.023 1.978 1.00 0.00 +ATOM 16 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 17 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 18 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 19 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 20 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 21 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 22 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 23 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 24 N N GLY A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA GLY A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C GLY A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O GLY A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 33 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 34 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 39 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 40 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 41 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 42 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 47 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 48 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 49 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 50 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 51 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 52 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 53 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 58 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 59 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 64 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 65 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 66 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 71 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 72 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 77 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 78 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 79 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 80 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 N N LYS A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 85 C CA LYS A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 86 C C LYS A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 87 O O LYS A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 88 C CB LYS A 13 3.766 1.000 0.378 1.00 0.00 +ATOM 89 C CG LYS A 13 3.278 1.977 1.483 1.00 0.00 +ATOM 90 C CD LYS A 13 2.066 1.387 2.220 1.00 0.00 +ATOM 91 C CE LYS A 13 2.351 1.370 3.735 1.00 0.00 +ATOM 92 N NZ LYS A 13 2.968 0.092 4.113 1.00 0.00 +ATOM 93 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 94 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 95 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 96 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 97 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 98 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 99 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 100 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 101 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 102 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 103 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 104 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 105 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 106 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 107 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 108 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 109 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 110 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 115 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 116 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 117 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 118 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 119 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 120 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 121 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 122 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 123 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 124 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 125 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 126 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 131 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 132 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 133 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 134 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 135 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 136 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 137 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 138 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 139 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 140 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 141 N N ARG A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 142 C CA ARG A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 143 C C ARG A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 144 O O ARG A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 145 C CB ARG A 22 10.714 -10.180 12.884 1.00 0.00 +ATOM 146 C CG ARG A 22 11.483 -10.430 14.189 1.00 0.00 +ATOM 147 C CD ARG A 22 12.456 -11.623 14.038 1.00 0.00 +ATOM 148 N NE ARG A 22 11.797 -12.738 13.346 1.00 0.00 +ATOM 149 C CZ ARG A 22 12.417 -12.819 11.936 1.00 0.00 +ATOM 150 N NH1 ARG A 22 12.758 -13.955 11.462 1.00 0.00 +ATOM 151 N NH2 ARG A 22 12.409 -11.641 11.058 1.00 0.00 +ATOM 152 N N GLU A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 153 C CA GLU A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 154 C C GLU A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 155 O O GLU A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 156 C CB GLU A 23 6.995 -6.147 13.790 1.00 0.00 +ATOM 157 C CG GLU A 23 7.887 -5.839 12.568 1.00 0.00 +ATOM 158 C CD GLU A 23 7.644 -4.399 12.083 1.00 0.00 +ATOM 159 O OE1 GLU A 23 6.726 -4.169 11.317 1.00 0.00 +ATOM 160 O OE2 GLU A 23 8.650 -3.407 12.286 1.00 0.00 +ATOM 161 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 162 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 163 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 164 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 165 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 166 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 167 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 168 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 169 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 170 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 171 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 172 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 173 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 174 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 175 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 176 N N ARG A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA ARG A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C ARG A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O ARG A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB ARG A 26 8.120 -16.686 17.542 1.00 0.00 +ATOM 181 C CG ARG A 26 8.846 -15.534 18.251 1.00 0.00 +ATOM 182 C CD ARG A 26 9.212 -15.922 19.703 1.00 0.00 +ATOM 183 N NE ARG A 26 8.081 -16.593 20.356 1.00 0.00 +ATOM 184 C CZ ARG A 26 8.462 -18.082 20.490 1.00 0.00 +ATOM 185 N NH1 ARG A 26 8.248 -18.690 21.593 1.00 0.00 +ATOM 186 N NH2 ARG A 26 8.855 -18.854 19.303 1.00 0.00 +ATOM 187 N N ARG A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 188 C CA ARG A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 189 C C ARG A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 190 O O ARG A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 191 C CB ARG A 27 4.716 -18.642 20.817 1.00 0.00 +ATOM 192 C CG ARG A 27 4.052 -17.791 19.725 1.00 0.00 +ATOM 193 C CD ARG A 27 3.288 -18.684 18.718 1.00 0.00 +ATOM 194 N NE ARG A 27 4.097 -19.853 18.352 1.00 0.00 +ATOM 195 C CZ ARG A 27 3.444 -21.078 19.027 1.00 0.00 +ATOM 196 N NH1 ARG A 27 3.280 -22.153 18.356 1.00 0.00 +ATOM 197 N NH2 ARG A 27 3.221 -21.088 20.479 1.00 0.00 +ATOM 198 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 199 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 200 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 201 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 202 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 203 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 204 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 205 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 206 N N PRO A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA PRO A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C PRO A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O PRO A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB PRO A 29 2.690 -24.796 22.074 1.00 0.00 +ATOM 211 C CG PRO A 29 4.222 -24.583 22.092 1.00 0.00 +ATOM 212 C CD PRO A 29 4.618 -24.176 23.516 1.00 0.00 +ATOM 213 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 214 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 215 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 216 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 217 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 218 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 219 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 220 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 221 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 222 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 223 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 224 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 225 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 226 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 227 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 228 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 229 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 230 N N SER A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 231 C CA SER A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 232 C C SER A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 233 O O SER A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 234 C CB SER A 32 -6.226 -22.741 21.046 1.00 0.00 +ATOM 235 O OG SER A 32 -5.589 -22.414 19.798 1.00 0.00 +ATOM 236 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 237 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 238 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 239 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 240 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 241 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 242 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 243 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 244 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 245 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 246 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 247 N N ASP A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 248 C CA ASP A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 249 C C ASP A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 250 O O ASP A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 251 C CB ASP A 35 -2.719 -31.155 20.618 1.00 0.00 +ATOM 252 C CG ASP A 35 -4.173 -30.797 20.607 1.00 0.00 +ATOM 253 O OD1 ASP A 35 -4.548 -29.649 20.832 1.00 0.00 +ATOM 254 O OD2 ASP A 35 -5.165 -31.851 20.727 1.00 0.00 +ATOM 255 N N VAL A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 256 C CA VAL A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 257 C C VAL A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 258 O O VAL A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 259 C CB VAL A 36 -3.455 -31.598 15.662 1.00 0.00 +ATOM 260 C CG2 VAL A 36 -4.451 -31.286 16.807 1.00 0.00 +ATOM 261 C CG1 VAL A 36 -4.202 -31.566 14.313 1.00 0.00 +ATOM 262 N N THR A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 263 C CA THR A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 264 C C THR A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 265 O O THR A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 266 C CB THR A 37 -4.805 -27.491 13.581 1.00 0.00 +ATOM 267 O OG1 THR A 37 -5.691 -28.502 14.095 1.00 0.00 +ATOM 268 C CG2 THR A 37 -5.616 -26.215 13.271 1.00 0.00 +ATOM 269 N N LYS A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA LYS A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C LYS A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O LYS A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB LYS A 38 -5.279 -25.147 18.233 1.00 0.00 +ATOM 274 C CG LYS A 38 -5.671 -26.420 19.034 1.00 0.00 +ATOM 275 C CD LYS A 38 -5.591 -27.662 18.135 1.00 0.00 +ATOM 276 C CE LYS A 38 -4.683 -28.715 18.803 1.00 0.00 +ATOM 277 N NZ LYS A 38 -3.296 -28.534 18.357 1.00 0.00 +ATOM 278 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 279 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 280 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 281 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 282 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 283 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 284 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 285 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 286 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 291 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 292 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 293 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 294 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 295 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 296 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 297 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 298 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 299 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 300 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 301 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 302 N N GLY A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 303 C CA GLY A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 304 C C GLY A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 305 O O GLY A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 306 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 307 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 308 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 309 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 310 N N GLU A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 311 C CA GLU A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 312 C C GLU A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 313 O O GLU A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 314 C CB GLU A 44 -8.379 -17.313 22.691 1.00 0.00 +ATOM 315 C CG GLU A 44 -7.075 -17.191 21.873 1.00 0.00 +ATOM 316 C CD GLU A 44 -7.381 -16.647 20.466 1.00 0.00 +ATOM 317 O OE1 GLU A 44 -7.718 -17.416 19.584 1.00 0.00 +ATOM 318 O OE2 GLU A 44 -6.988 -15.319 20.122 1.00 0.00 +ATOM 319 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 324 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 325 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 326 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 327 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 328 N N SER A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA SER A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C SER A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O SER A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB SER A 46 -11.790 -16.686 14.870 1.00 0.00 +ATOM 333 O OG SER A 46 -13.121 -17.048 15.280 1.00 0.00 +ATOM 334 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 335 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 336 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 337 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 338 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 339 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 340 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 341 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 342 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 343 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 344 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 345 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 350 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 351 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 352 N N THR A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 353 C CA THR A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 354 C C THR A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 355 O O THR A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 356 C CB THR A 49 -11.338 -8.549 7.912 1.00 0.00 +ATOM 357 O OG1 THR A 49 -11.152 -9.934 7.566 1.00 0.00 +ATOM 358 C CG2 THR A 49 -10.997 -7.672 6.689 1.00 0.00 +ATOM 359 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 360 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 361 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 362 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 363 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 364 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 365 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 366 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 367 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 368 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 369 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 370 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 371 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 372 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 373 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 374 N N ALA A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA ALA A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C ALA A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O ALA A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB ALA A 52 -18.800 -1.692 9.799 1.00 0.00 +ATOM 379 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 380 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 381 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 382 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 383 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 384 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 385 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 386 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 387 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 388 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 389 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 390 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 391 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 392 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 393 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 394 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 395 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 396 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 397 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 398 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 399 N N VAL A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 400 C CA VAL A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 401 C C VAL A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 402 O O VAL A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 403 C CB VAL A 56 -25.404 3.719 12.540 1.00 0.00 +ATOM 404 C CG2 VAL A 56 -26.737 4.147 11.877 1.00 0.00 +ATOM 405 C CG1 VAL A 56 -25.528 3.862 14.071 1.00 0.00 +ATOM 406 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 407 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 408 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 409 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 410 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 411 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 412 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 413 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 418 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 419 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 420 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 421 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 422 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 423 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 424 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 425 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 426 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 427 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 428 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 429 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 430 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 431 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 432 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 433 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 434 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 435 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 440 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 441 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 442 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 447 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 448 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 449 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 450 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 451 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 452 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 453 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 454 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 455 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 456 N N THR A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 457 C CA THR A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 458 C C THR A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 459 O O THR A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 460 C CB THR A 64 -32.975 15.415 17.087 1.00 0.00 +ATOM 461 O OG1 THR A 64 -34.327 15.713 17.482 1.00 0.00 +ATOM 462 C CG2 THR A 64 -32.110 15.218 18.350 1.00 0.00 +ATOM 463 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 464 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 465 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 466 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 467 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 468 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 469 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 470 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 471 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 472 N N SER A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 473 C CA SER A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 474 C C SER A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 475 O O SER A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 476 C CB SER A 66 -28.209 9.848 19.387 1.00 0.00 +ATOM 477 O OG SER A 66 -28.875 10.098 18.137 1.00 0.00 +ATOM 478 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 479 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 480 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 481 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 482 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 483 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 484 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 485 N N PRO A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 486 C CA PRO A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 487 C C PRO A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 488 O O PRO A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 489 C CB PRO A 68 -26.574 16.376 23.524 1.00 0.00 +ATOM 490 C CG PRO A 68 -28.061 16.163 23.157 1.00 0.00 +ATOM 491 C CD PRO A 68 -28.115 15.656 21.712 1.00 0.00 +ATOM 492 N N GLY A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 493 C CA GLY A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 494 C C GLY A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 495 O O GLY A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 496 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 497 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 498 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 499 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 500 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 501 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 502 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 503 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 504 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 505 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 506 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 507 N N ARG A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 508 C CA ARG A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 509 C C ARG A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 510 O O ARG A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 511 C CB ARG A 71 -28.366 11.529 26.252 1.00 0.00 +ATOM 512 C CG ARG A 71 -27.287 12.621 26.281 1.00 0.00 +ATOM 513 C CD ARG A 71 -27.415 13.557 25.056 1.00 0.00 +ATOM 514 N NE ARG A 71 -27.638 12.774 23.833 1.00 0.00 +ATOM 515 C CZ ARG A 71 -29.107 13.005 23.417 1.00 0.00 +ATOM 516 N NH1 ARG A 71 -29.384 13.245 22.194 1.00 0.00 +ATOM 517 N NH2 ARG A 71 -30.194 12.730 24.366 1.00 0.00 +ATOM 518 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 519 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 520 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 521 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 522 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 523 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 524 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 525 N N THR A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 526 C CA THR A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 527 C C THR A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 528 O O THR A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 529 C CB THR A 73 -30.706 6.838 21.456 1.00 0.00 +ATOM 530 O OG1 THR A 73 -31.081 8.220 21.600 1.00 0.00 +ATOM 531 C CG2 THR A 73 -31.869 6.062 20.803 1.00 0.00 +ATOM 532 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 533 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 534 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 535 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 536 N N ASP A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA ASP A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C ASP A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O ASP A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB ASP A 75 -26.389 4.125 13.744 1.00 0.00 +ATOM 541 C CG ASP A 75 -27.659 3.862 12.993 1.00 0.00 +ATOM 542 O OD1 ASP A 75 -28.755 3.971 13.538 1.00 0.00 +ATOM 543 O OD2 ASP A 75 -27.609 3.103 11.757 1.00 0.00 +ATOM 544 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 545 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 546 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 547 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 548 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 549 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 550 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 551 N N SER A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 552 C CA SER A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 553 C C SER A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 554 O O SER A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 555 C CB SER A 77 -25.459 13.088 12.710 1.00 0.00 +ATOM 556 O OG SER A 77 -26.268 12.371 13.660 1.00 0.00 +ATOM 557 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 558 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 559 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 560 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 561 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 562 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 563 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 564 N N ASP A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 565 C CA ASP A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 566 C C ASP A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 567 O O ASP A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 568 C CB ASP A 79 -22.502 9.403 16.652 1.00 0.00 +ATOM 569 C CG ASP A 79 -21.855 8.278 15.905 1.00 0.00 +ATOM 570 O OD1 ASP A 79 -21.781 8.289 14.678 1.00 0.00 +ATOM 571 O OD2 ASP A 79 -21.668 7.000 16.566 1.00 0.00 +ATOM 572 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 573 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 574 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 575 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 576 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 577 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo8_s20.cif b/soup/screen/mmcifs/denovo8_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..8cef1379fed8a6e76b2eafb72d0f35b8b7e8735c --- /dev/null +++ b/soup/screen/mmcifs/denovo8_s20.cif @@ -0,0 +1,606 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLU A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLU A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLU A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLU A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB GLU A 1 2.072 -0.784 -1.201 1.00 0.00 +ATOM 6 C CG GLU A 1 1.016 -1.014 -2.304 1.00 0.00 +ATOM 7 C CD GLU A 1 0.743 0.299 -3.058 1.00 0.00 +ATOM 8 O OE1 GLU A 1 -0.070 1.090 -2.615 1.00 0.00 +ATOM 9 O OE2 GLU A 1 1.207 0.452 -4.400 1.00 0.00 +ATOM 10 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 15 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 16 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 17 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 18 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 19 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 20 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 21 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 22 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 23 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 24 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 25 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 26 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 27 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 28 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 29 N N THR A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA THR A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C THR A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O THR A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB THR A 5 3.625 6.225 -9.721 1.00 0.00 +ATOM 34 O OG1 THR A 5 4.313 5.150 -9.057 1.00 0.00 +ATOM 35 C CG2 THR A 5 2.579 5.636 -10.690 1.00 0.00 +ATOM 36 N N ASP A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA ASP A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C ASP A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O ASP A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB ASP A 6 -0.343 4.376 -7.312 1.00 0.00 +ATOM 41 C CG ASP A 6 0.739 3.399 -6.971 1.00 0.00 +ATOM 42 O OD1 ASP A 6 1.885 3.546 -7.389 1.00 0.00 +ATOM 43 O OD2 ASP A 6 0.377 2.078 -6.489 1.00 0.00 +ATOM 44 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 45 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 46 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 47 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 48 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 49 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 50 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 51 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 52 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 53 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 58 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 59 N N PRO A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 60 C CA PRO A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 61 C C PRO A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 62 O O PRO A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 63 C CB PRO A 9 -4.830 1.419 1.450 1.00 0.00 +ATOM 64 C CG PRO A 9 -4.810 1.129 -0.069 1.00 0.00 +ATOM 65 C CD PRO A 9 -5.405 -0.267 -0.284 1.00 0.00 +ATOM 66 N N SER A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA SER A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C SER A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O SER A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB SER A 10 -4.673 -2.679 3.769 1.00 0.00 +ATOM 71 O OG SER A 10 -4.702 -2.770 2.334 1.00 0.00 +ATOM 72 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 77 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 78 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 79 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 80 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 81 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 82 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 83 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 84 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 85 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 86 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 87 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 92 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 93 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 94 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 95 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 96 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 97 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 98 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 99 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 100 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 101 N N ARG A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA ARG A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C ARG A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O ARG A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB ARG A 15 8.911 3.937 3.846 1.00 0.00 +ATOM 106 C CG ARG A 15 7.502 4.220 4.386 1.00 0.00 +ATOM 107 C CD ARG A 15 7.569 4.980 5.732 1.00 0.00 +ATOM 108 N NE ARG A 15 8.587 4.386 6.607 1.00 0.00 +ATOM 109 C CZ ARG A 15 9.764 5.383 6.664 1.00 0.00 +ATOM 110 N NH1 ARG A 15 10.302 5.657 7.789 1.00 0.00 +ATOM 111 N NH2 ARG A 15 10.407 5.838 5.424 1.00 0.00 +ATOM 112 N N PRO A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA PRO A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C PRO A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O PRO A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB PRO A 16 10.229 3.825 8.769 1.00 0.00 +ATOM 117 C CG PRO A 16 8.741 3.956 8.368 1.00 0.00 +ATOM 118 C CD PRO A 16 8.611 3.496 6.912 1.00 0.00 +ATOM 119 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 120 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 121 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 122 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 123 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 124 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 125 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 126 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 127 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 128 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 129 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 130 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 131 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 132 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 133 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 134 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 135 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 140 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 141 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 142 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 143 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 144 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 145 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 146 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 147 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 148 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 149 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 150 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 151 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 152 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 153 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 154 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 155 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 156 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 157 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 158 N N ASP A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 159 C CA ASP A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 160 C C ASP A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 161 O O ASP A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 162 C CB ASP A 23 7.015 -6.147 13.717 1.00 0.00 +ATOM 163 C CG ASP A 23 7.199 -6.335 12.242 1.00 0.00 +ATOM 164 O OD1 ASP A 23 8.311 -6.535 11.760 1.00 0.00 +ATOM 165 O OD2 ASP A 23 6.154 -5.897 11.334 1.00 0.00 +ATOM 166 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 171 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 172 N N GLU A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 173 C CA GLU A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 174 C C GLU A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 175 O O GLU A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 176 C CB GLU A 25 3.963 -12.860 18.329 1.00 0.00 +ATOM 177 C CG GLU A 25 2.811 -12.204 17.538 1.00 0.00 +ATOM 178 C CD GLU A 25 2.322 -13.152 16.429 1.00 0.00 +ATOM 179 O OE1 GLU A 25 2.891 -13.162 15.353 1.00 0.00 +ATOM 180 O OE2 GLU A 25 1.049 -13.785 16.552 1.00 0.00 +ATOM 181 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 186 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 187 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 188 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 189 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 194 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 195 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 200 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 201 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 202 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 203 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 204 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 205 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 206 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 207 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 208 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 209 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 210 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 211 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 212 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 213 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 214 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 215 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 216 N N LYS A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA LYS A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C LYS A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O LYS A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB LYS A 31 -2.535 -19.683 19.321 1.00 0.00 +ATOM 221 C CG LYS A 31 -2.089 -20.933 18.513 1.00 0.00 +ATOM 222 C CD LYS A 31 -0.786 -21.506 19.092 1.00 0.00 +ATOM 223 C CE LYS A 31 -0.988 -23.001 19.414 1.00 0.00 +ATOM 224 N NZ LYS A 31 -1.451 -23.155 20.799 1.00 0.00 +ATOM 225 N N PRO A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA PRO A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C PRO A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O PRO A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB PRO A 32 -6.193 -22.725 21.008 1.00 0.00 +ATOM 230 C CG PRO A 32 -6.273 -24.161 20.437 1.00 0.00 +ATOM 231 C CD PRO A 32 -7.695 -24.678 20.681 1.00 0.00 +ATOM 232 N N PRO A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA PRO A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C PRO A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O PRO A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB PRO A 33 -5.813 -27.385 23.438 1.00 0.00 +ATOM 237 C CG PRO A 33 -7.109 -26.554 23.286 1.00 0.00 +ATOM 238 C CD PRO A 33 -7.901 -27.140 22.112 1.00 0.00 +ATOM 239 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 244 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 245 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 246 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 251 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 252 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 253 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 254 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 255 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 256 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 257 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 258 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 259 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 260 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 261 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 262 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 263 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 264 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 265 N N GLU A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 266 C CA GLU A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 267 C C GLU A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 268 O O GLU A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 269 C CB GLU A 37 -4.830 -27.446 13.585 1.00 0.00 +ATOM 270 C CG GLU A 37 -5.611 -28.739 13.903 1.00 0.00 +ATOM 271 C CD GLU A 37 -6.477 -28.540 15.159 1.00 0.00 +ATOM 272 O OE1 GLU A 37 -5.987 -28.710 16.261 1.00 0.00 +ATOM 273 O OE2 GLU A 37 -7.896 -28.452 15.031 1.00 0.00 +ATOM 274 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 275 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 276 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 277 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 278 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 279 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 280 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 281 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 282 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 283 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 284 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 285 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 286 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 291 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 292 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 293 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 294 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 295 N N ALA A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 296 C CA ALA A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 297 C C ALA A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 298 O O ALA A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 299 C CB ALA A 41 -3.102 -19.718 23.279 1.00 0.00 +ATOM 300 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 301 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 302 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 303 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 304 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 305 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 306 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 307 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 308 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 309 N N VAL A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA VAL A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C VAL A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O VAL A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB VAL A 43 -7.977 -23.118 20.883 1.00 0.00 +ATOM 314 C CG2 VAL A 43 -6.844 -23.423 21.894 1.00 0.00 +ATOM 315 C CG1 VAL A 43 -9.336 -23.491 21.511 1.00 0.00 +ATOM 316 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 317 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 318 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 319 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 320 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 321 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 322 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 323 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 324 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 325 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 326 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 327 N N SER A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 328 C CA SER A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 329 C C SER A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 330 O O SER A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 331 C CB SER A 45 -12.002 -15.369 20.448 1.00 0.00 +ATOM 332 O OG SER A 45 -11.031 -14.624 21.205 1.00 0.00 +ATOM 333 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 334 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 335 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 336 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 337 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 338 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 339 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 340 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 341 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 342 N N ARG A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA ARG A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C ARG A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O ARG A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB ARG A 48 -15.030 -11.033 10.811 1.00 0.00 +ATOM 347 C CG ARG A 48 -15.622 -10.774 12.204 1.00 0.00 +ATOM 348 C CD ARG A 48 -15.930 -9.271 12.402 1.00 0.00 +ATOM 349 N NE ARG A 48 -14.817 -8.450 11.910 1.00 0.00 +ATOM 350 C CZ ARG A 48 -15.301 -7.770 10.612 1.00 0.00 +ATOM 351 N NH1 ARG A 48 -15.069 -6.528 10.427 1.00 0.00 +ATOM 352 N NH2 ARG A 48 -15.822 -8.583 9.504 1.00 0.00 +ATOM 353 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 354 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 355 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 356 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 357 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 358 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 359 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 360 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 361 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 362 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 363 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 364 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 365 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 366 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 367 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 368 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 369 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 370 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 371 N N GLY A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 372 C CA GLY A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 373 C C GLY A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 374 O O GLY A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 375 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 376 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 377 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 378 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 379 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 380 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 381 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 382 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 383 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 384 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 385 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 386 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 387 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 388 N N GLY A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 389 C CA GLY A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 390 C C GLY A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 391 O O GLY A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 392 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 393 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 394 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 395 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 396 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 397 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 398 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 399 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 400 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 401 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 402 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 403 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 404 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 405 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 406 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 407 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 408 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 409 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 410 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 411 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 412 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 413 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 414 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 415 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 416 N N ALA A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 417 C CA ALA A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 418 C C ALA A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 419 O O ALA A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 420 C CB ALA A 58 -31.811 -0.511 14.272 1.00 0.00 +ATOM 421 N N LYS A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 422 C CA LYS A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 423 C C LYS A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 424 O O LYS A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 425 C CB LYS A 59 -32.219 2.564 18.207 1.00 0.00 +ATOM 426 C CG LYS A 59 -30.748 3.066 18.221 1.00 0.00 +ATOM 427 C CD LYS A 59 -29.850 2.111 17.421 1.00 0.00 +ATOM 428 C CE LYS A 59 -29.080 2.914 16.352 1.00 0.00 +ATOM 429 N NZ LYS A 59 -29.848 2.942 15.100 1.00 0.00 +ATOM 430 N N LYS A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 431 C CA LYS A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 432 C C LYS A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 433 O O LYS A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 434 C CB LYS A 60 -33.389 6.599 15.207 1.00 0.00 +ATOM 435 C CG LYS A 60 -34.927 6.378 15.249 1.00 0.00 +ATOM 436 C CD LYS A 60 -35.246 4.915 15.593 1.00 0.00 +ATOM 437 C CE LYS A 60 -36.195 4.875 16.809 1.00 0.00 +ATOM 438 N NZ LYS A 60 -35.414 4.801 18.050 1.00 0.00 +ATOM 439 N N SER A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 440 C CA SER A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 441 C C SER A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 442 O O SER A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 443 C CB SER A 61 -34.049 9.635 19.163 1.00 0.00 +ATOM 444 O OG SER A 61 -32.776 9.852 18.527 1.00 0.00 +ATOM 445 N N ARG A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 446 C CA ARG A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 447 C C ARG A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 448 O O ARG A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 449 C CB ARG A 62 -38.738 11.057 16.180 1.00 0.00 +ATOM 450 C CG ARG A 62 -38.857 10.571 17.631 1.00 0.00 +ATOM 451 C CD ARG A 62 -38.665 11.743 18.623 1.00 0.00 +ATOM 452 N NE ARG A 62 -37.528 12.578 18.217 1.00 0.00 +ATOM 453 C CZ ARG A 62 -38.114 13.903 17.685 1.00 0.00 +ATOM 454 N NH1 ARG A 62 -37.593 15.012 18.049 1.00 0.00 +ATOM 455 N NH2 ARG A 62 -39.107 13.889 16.603 1.00 0.00 +ATOM 456 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 457 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 458 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 459 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 460 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 461 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 462 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 463 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 464 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 465 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 466 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 467 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 468 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 469 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 470 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 471 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 472 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 473 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 474 N N GLY A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 475 C CA GLY A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 476 C C GLY A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 477 O O GLY A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 478 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 479 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 480 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 481 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 482 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 483 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 484 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 485 N N GLY A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 486 C CA GLY A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 487 C C GLY A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 488 O O GLY A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 489 N N SER A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 490 C CA SER A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 491 C C SER A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 492 O O SER A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 493 C CB SER A 68 -26.531 16.406 23.533 1.00 0.00 +ATOM 494 O OG SER A 68 -27.777 15.695 23.638 1.00 0.00 +ATOM 495 N N ARG A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 496 C CA ARG A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 497 C C ARG A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 498 O O ARG A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 499 C CB ARG A 69 -21.794 13.613 23.062 1.00 0.00 +ATOM 500 C CG ARG A 69 -22.023 14.977 23.727 1.00 0.00 +ATOM 501 C CD ARG A 69 -22.485 14.806 25.193 1.00 0.00 +ATOM 502 N NE ARG A 69 -23.510 13.759 25.290 1.00 0.00 +ATOM 503 C CZ ARG A 69 -22.848 12.548 25.980 1.00 0.00 +ATOM 504 N NH1 ARG A 69 -23.471 11.935 26.911 1.00 0.00 +ATOM 505 N NH2 ARG A 69 -21.618 11.964 25.426 1.00 0.00 +ATOM 506 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 507 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 508 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 509 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 510 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 511 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 512 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 513 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 514 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 515 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 516 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 517 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 518 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 519 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 520 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 521 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 522 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 523 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 524 N N PRO A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 525 C CA PRO A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 526 C C PRO A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 527 O O PRO A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 528 C CB PRO A 72 -26.612 9.710 21.012 1.00 0.00 +ATOM 529 C CG PRO A 72 -25.429 9.541 21.993 1.00 0.00 +ATOM 530 C CD PRO A 72 -25.951 9.828 23.405 1.00 0.00 +ATOM 531 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 532 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 533 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 534 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 535 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 536 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 537 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 538 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 539 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 540 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 541 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 542 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 543 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 544 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 545 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 546 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 547 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 548 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 549 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 550 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 551 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 552 N N LYS A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 553 C CA LYS A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 554 C C LYS A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 555 O O LYS A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 556 C CB LYS A 76 -27.871 9.169 11.494 1.00 0.00 +ATOM 557 C CG LYS A 76 -28.693 10.002 12.517 1.00 0.00 +ATOM 558 C CD LYS A 76 -29.055 9.142 13.737 1.00 0.00 +ATOM 559 C CE LYS A 76 -28.583 9.856 15.020 1.00 0.00 +ATOM 560 N NZ LYS A 76 -27.220 9.428 15.357 1.00 0.00 +ATOM 561 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 562 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 563 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 564 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 565 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 566 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 567 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 568 N N GLU A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 569 C CA GLU A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 570 C C GLU A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 571 O O GLU A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 572 C CB GLU A 78 -20.010 13.465 12.680 1.00 0.00 +ATOM 573 C CG GLU A 78 -20.718 14.720 12.127 1.00 0.00 +ATOM 574 C CD GLU A 78 -21.447 15.461 13.262 1.00 0.00 +ATOM 575 O OE1 GLU A 78 -22.571 15.117 13.580 1.00 0.00 +ATOM 576 O OE2 GLU A 78 -20.941 16.712 13.727 1.00 0.00 +ATOM 577 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 578 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 579 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 580 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 581 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 582 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 583 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 584 N N THR A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 585 C CA THR A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 586 C C THR A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 587 O O THR A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 588 C CB THR A 80 -17.972 10.787 18.473 1.00 0.00 +ATOM 589 O OG1 THR A 80 -18.519 11.972 17.867 1.00 0.00 +ATOM 590 C CG2 THR A 80 -16.929 11.194 19.534 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo90_s20.cif b/soup/screen/mmcifs/denovo90_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..0c58812b90f3d1dd6a97c9215a52d69532d3ed89 --- /dev/null +++ b/soup/screen/mmcifs/denovo90_s20.cif @@ -0,0 +1,570 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N PRO A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA PRO A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C PRO A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O PRO A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB PRO A 1 1.991 -0.752 -1.247 1.00 0.00 +ATOM 6 C CG PRO A 1 0.757 -1.063 -2.126 1.00 0.00 +ATOM 7 C CD PRO A 1 -0.487 -0.595 -1.363 1.00 0.00 +ATOM 8 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 13 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 14 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 15 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 16 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 17 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 18 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 19 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 24 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 25 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 26 N N ASP A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 27 C CA ASP A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 28 C C ASP A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 29 O O ASP A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 30 C CB ASP A 4 6.168 8.619 -5.807 1.00 0.00 +ATOM 31 C CG ASP A 4 6.796 7.568 -6.670 1.00 0.00 +ATOM 32 O OD1 ASP A 4 6.972 6.425 -6.255 1.00 0.00 +ATOM 33 O OD2 ASP A 4 7.556 7.970 -7.840 1.00 0.00 +ATOM 34 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 35 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 36 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 37 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 38 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 39 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 40 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 41 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 42 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 43 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 44 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 45 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 46 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 47 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 48 N N GLY A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 49 C CA GLY A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 50 C C GLY A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 51 O O GLY A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 52 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 53 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 54 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 55 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 56 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 57 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 58 N N ASP A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 59 C CA ASP A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 60 C C ASP A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 61 O O ASP A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 62 C CB ASP A 9 -4.877 1.423 1.469 1.00 0.00 +ATOM 63 C CG ASP A 9 -5.084 0.236 0.581 1.00 0.00 +ATOM 64 O OD1 ASP A 9 -4.785 -0.897 0.951 1.00 0.00 +ATOM 65 O OD2 ASP A 9 -5.261 0.438 -0.846 1.00 0.00 +ATOM 66 N N ASP A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 67 C CA ASP A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 68 C C ASP A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 69 O O ASP A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 70 C CB ASP A 10 -4.685 -2.715 3.734 1.00 0.00 +ATOM 71 C CG ASP A 10 -4.405 -3.052 2.302 1.00 0.00 +ATOM 72 O OD1 ASP A 10 -4.661 -2.258 1.399 1.00 0.00 +ATOM 73 O OD2 ASP A 10 -4.207 -4.440 1.924 1.00 0.00 +ATOM 74 N N VAL A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 75 C CA VAL A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 76 C C VAL A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 77 O O VAL A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 78 C CB VAL A 11 0.199 -1.931 6.433 1.00 0.00 +ATOM 79 C CG2 VAL A 11 -0.968 -2.841 6.889 1.00 0.00 +ATOM 80 C CG1 VAL A 11 1.502 -2.754 6.394 1.00 0.00 +ATOM 81 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 86 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 87 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 88 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 93 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 94 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 95 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 96 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 97 N N ALA A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 98 C CA ALA A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 99 C C ALA A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 100 O O ALA A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 101 C CB ALA A 14 6.705 -0.863 4.759 1.00 0.00 +ATOM 102 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 103 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 104 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 105 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 106 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 107 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 108 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 109 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 110 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 111 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 112 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 113 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 114 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 115 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 116 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 117 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 118 N N ALA A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 119 C CA ALA A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 120 C C ALA A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 121 O O ALA A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 122 C CB ALA A 17 11.018 -1.337 7.675 1.00 0.00 +ATOM 123 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 124 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 125 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 126 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 127 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 128 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 129 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 130 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 131 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 132 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 133 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 134 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 135 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 136 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 137 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 138 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 139 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 140 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 141 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 142 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 143 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 144 N N ALA A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 145 C CA ALA A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 146 C C ALA A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 147 O O ALA A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 148 C CB ALA A 21 11.776 -5.724 15.931 1.00 0.00 +ATOM 149 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 150 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 151 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 152 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 153 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 154 N N GLY A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 155 C CA GLY A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 156 C C GLY A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 157 O O GLY A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 158 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 159 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 160 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 161 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 162 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 163 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 164 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 165 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 166 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 167 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 168 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 169 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 170 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 171 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 172 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 173 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 174 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 175 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 176 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 177 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 178 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 179 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 180 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 181 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 182 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 183 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 184 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 185 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 186 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 187 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 188 N N GLU A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 189 C CA GLU A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 190 C C GLU A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 191 O O GLU A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 192 C CB GLU A 29 2.614 -24.857 22.061 1.00 0.00 +ATOM 193 C CG GLU A 29 4.117 -24.690 22.372 1.00 0.00 +ATOM 194 C CD GLU A 29 4.329 -23.524 23.354 1.00 0.00 +ATOM 195 O OE1 GLU A 29 4.416 -22.387 22.927 1.00 0.00 +ATOM 196 O OE2 GLU A 29 4.716 -23.797 24.700 1.00 0.00 +ATOM 197 N N PRO A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 198 C CA PRO A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 199 C C PRO A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 200 O O PRO A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 201 C CB PRO A 30 1.481 -19.267 22.697 1.00 0.00 +ATOM 202 C CG PRO A 30 2.862 -19.547 22.058 1.00 0.00 +ATOM 203 C CD PRO A 30 2.786 -20.912 21.367 1.00 0.00 +ATOM 204 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 205 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 206 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 207 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 208 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 209 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 210 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 211 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 212 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 213 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 214 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 215 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 216 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 217 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 218 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 219 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 220 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 221 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 222 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 223 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 224 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 225 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 226 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 227 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 228 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 229 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 230 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 231 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 232 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 233 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 234 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 235 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 236 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 237 N N GLY A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 238 C CA GLY A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 239 C C GLY A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 240 O O GLY A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 241 N N LYS A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 242 C CA LYS A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 243 C C LYS A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 244 O O LYS A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 245 C CB LYS A 36 -3.415 -31.621 15.652 1.00 0.00 +ATOM 246 C CG LYS A 36 -4.766 -30.979 16.075 1.00 0.00 +ATOM 247 C CD LYS A 36 -4.718 -30.562 17.553 1.00 0.00 +ATOM 248 C CE LYS A 36 -5.098 -29.072 17.672 1.00 0.00 +ATOM 249 N NZ LYS A 36 -3.889 -28.241 17.592 1.00 0.00 +ATOM 250 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 251 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 252 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 253 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 254 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 255 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 256 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 257 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 258 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 259 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 260 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 261 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 262 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 263 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 264 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 265 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 266 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 267 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 268 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 269 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 270 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 271 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 272 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 273 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 274 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 275 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 276 N N GLU A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 277 C CA GLU A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 278 C C GLU A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 279 O O GLU A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 280 C CB GLU A 41 -3.156 -19.663 23.328 1.00 0.00 +ATOM 281 C CG GLU A 41 -1.699 -20.161 23.220 1.00 0.00 +ATOM 282 C CD GLU A 41 -0.731 -19.088 23.751 1.00 0.00 +ATOM 283 O OE1 GLU A 41 -0.353 -18.199 23.009 1.00 0.00 +ATOM 284 O OE2 GLU A 41 -0.056 -19.298 24.991 1.00 0.00 +ATOM 285 N N PRO A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 286 C CA PRO A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 287 C C PRO A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 288 O O PRO A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 289 C CB PRO A 42 -3.768 -20.770 18.430 1.00 0.00 +ATOM 290 C CG PRO A 42 -2.776 -21.618 19.262 1.00 0.00 +ATOM 291 C CD PRO A 42 -3.098 -23.094 19.004 1.00 0.00 +ATOM 292 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 293 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 294 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 295 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 296 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 297 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 298 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 299 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 300 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 301 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 302 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 303 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 304 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 305 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 306 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 307 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 308 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 309 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 310 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 311 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 312 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 313 N N PRO A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 314 C CA PRO A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 315 C C PRO A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 316 O O PRO A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 317 C CB PRO A 46 -11.835 -16.696 14.897 1.00 0.00 +ATOM 318 C CG PRO A 46 -12.833 -17.598 15.661 1.00 0.00 +ATOM 319 C CD PRO A 46 -12.652 -17.327 17.158 1.00 0.00 +ATOM 320 N N ALA A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 321 C CA ALA A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 322 C C ALA A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 323 O O ALA A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 324 C CB ALA A 47 -10.883 -11.667 14.326 1.00 0.00 +ATOM 325 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 326 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 327 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 328 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 329 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 330 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 331 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 332 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 333 N N ARG A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 334 C CA ARG A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 335 C C ARG A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 336 O O ARG A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 337 C CB ARG A 49 -11.336 -8.552 7.855 1.00 0.00 +ATOM 338 C CG ARG A 49 -11.007 -10.051 7.806 1.00 0.00 +ATOM 339 C CD ARG A 49 -11.218 -10.616 6.381 1.00 0.00 +ATOM 340 N NE ARG A 49 -12.477 -10.119 5.813 1.00 0.00 +ATOM 341 C CZ ARG A 49 -12.102 -9.103 4.714 1.00 0.00 +ATOM 342 N NH1 ARG A 49 -12.698 -9.148 3.585 1.00 0.00 +ATOM 343 N NH2 ARG A 49 -11.237 -7.959 5.031 1.00 0.00 +ATOM 344 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 345 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 346 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 347 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 348 N N VAL A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 349 C CA VAL A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 350 C C VAL A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 351 O O VAL A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 352 C CB VAL A 51 -17.126 -2.087 4.908 1.00 0.00 +ATOM 353 C CG2 VAL A 51 -17.981 -3.148 4.170 1.00 0.00 +ATOM 354 C CG1 VAL A 51 -17.958 -0.802 5.095 1.00 0.00 +ATOM 355 N N ASP A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 356 C CA ASP A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 357 C C ASP A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 358 O O ASP A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 359 C CB ASP A 52 -18.801 -1.661 9.831 1.00 0.00 +ATOM 360 C CG ASP A 52 -19.068 -0.731 8.688 1.00 0.00 +ATOM 361 O OD1 ASP A 52 -19.156 0.483 8.862 1.00 0.00 +ATOM 362 O OD2 ASP A 52 -19.615 -1.261 7.452 1.00 0.00 +ATOM 363 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 364 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 365 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 366 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 367 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 368 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 369 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 370 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 371 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 372 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 373 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 374 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 375 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 376 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 377 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 378 N N ASP A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 379 C CA ASP A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 380 C C ASP A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 381 O O ASP A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 382 C CB ASP A 55 -26.757 0.093 8.686 1.00 0.00 +ATOM 383 C CG ASP A 55 -26.502 -1.323 9.102 1.00 0.00 +ATOM 384 O OD1 ASP A 55 -25.837 -2.082 8.401 1.00 0.00 +ATOM 385 O OD2 ASP A 55 -27.348 -1.930 10.114 1.00 0.00 +ATOM 386 N N SER A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 387 C CA SER A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 388 C C SER A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 389 O O SER A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 390 C CB SER A 56 -25.461 3.688 12.550 1.00 0.00 +ATOM 391 O OG SER A 56 -26.761 3.979 12.008 1.00 0.00 +ATOM 392 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 393 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 394 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 395 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 396 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 397 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 398 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 399 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 400 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 401 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 402 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 403 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 404 N N SER A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 405 C CA SER A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 406 C C SER A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 407 O O SER A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 408 C CB SER A 59 -32.132 2.619 18.171 1.00 0.00 +ATOM 409 O OG SER A 59 -30.719 2.408 18.001 1.00 0.00 +ATOM 410 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 411 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 412 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 413 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 414 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 415 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 416 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 417 N N LYS A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 418 C CA LYS A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 419 C C LYS A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 420 O O LYS A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 421 C CB LYS A 61 -34.093 9.566 19.236 1.00 0.00 +ATOM 422 C CG LYS A 61 -32.999 10.499 18.645 1.00 0.00 +ATOM 423 C CD LYS A 61 -32.062 9.705 17.722 1.00 0.00 +ATOM 424 C CE LYS A 61 -32.005 10.393 16.342 1.00 0.00 +ATOM 425 N NZ LYS A 61 -33.040 9.834 15.463 1.00 0.00 +ATOM 426 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 427 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 428 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 429 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 430 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 431 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 432 N N SER A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 433 C CA SER A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 434 C C SER A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 435 O O SER A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 436 C CB SER A 63 -37.539 15.557 15.127 1.00 0.00 +ATOM 437 O OG SER A 63 -38.433 15.179 16.189 1.00 0.00 +ATOM 438 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 439 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 440 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 441 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 442 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 443 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 444 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 445 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 446 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 447 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 448 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 449 N N GLU A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA GLU A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C GLU A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O GLU A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 C CB GLU A 65 -32.894 10.632 18.660 1.00 0.00 +ATOM 454 C CG GLU A 65 -33.454 10.772 17.228 1.00 0.00 +ATOM 455 C CD GLU A 65 -32.326 10.583 16.198 1.00 0.00 +ATOM 456 O OE1 GLU A 65 -31.630 11.532 15.887 1.00 0.00 +ATOM 457 O OE2 GLU A 65 -32.290 9.399 15.401 1.00 0.00 +ATOM 458 N N GLY A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 459 C CA GLY A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 460 C C GLY A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 461 O O GLY A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 462 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 463 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 464 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 465 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 466 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 467 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 468 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 469 N N GLY A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 470 C CA GLY A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 471 C C GLY A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 472 O O GLY A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 473 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 474 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 475 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 476 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 477 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 478 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 479 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 480 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 481 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 482 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 483 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 484 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 485 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 486 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 487 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 488 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 489 N N ALA A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 490 C CA ALA A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 491 C C ALA A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 492 O O ALA A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 493 C CB ALA A 71 -28.315 11.541 26.213 1.00 0.00 +ATOM 494 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 495 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 496 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 497 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 498 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 499 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 500 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 501 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 502 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 503 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 504 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 505 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 506 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 507 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 508 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 509 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 510 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 511 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 512 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 513 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 514 N N GLU A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 515 C CA GLU A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 516 C C GLU A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 517 O O GLU A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 518 C CB GLU A 75 -26.321 4.147 13.771 1.00 0.00 +ATOM 519 C CG GLU A 75 -27.737 3.534 13.837 1.00 0.00 +ATOM 520 C CD GLU A 75 -28.606 4.083 12.692 1.00 0.00 +ATOM 521 O OE1 GLU A 75 -29.191 5.141 12.835 1.00 0.00 +ATOM 522 O OE2 GLU A 75 -28.962 3.229 11.605 1.00 0.00 +ATOM 523 N N PRO A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 524 C CA PRO A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 525 C C PRO A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 526 O O PRO A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 527 C CB PRO A 76 -27.910 9.231 11.627 1.00 0.00 +ATOM 528 C CG PRO A 76 -28.910 8.625 12.640 1.00 0.00 +ATOM 529 C CD PRO A 76 -28.116 7.726 13.594 1.00 0.00 +ATOM 530 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 531 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 532 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 533 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 534 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 535 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 536 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 537 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 538 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 539 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 540 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 541 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 542 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 543 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 544 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 545 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 546 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 547 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 548 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 549 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 550 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 551 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 552 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 553 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 554 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo91_s20.cif b/soup/screen/mmcifs/denovo91_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..a320d3847bd36178130c84f483196c36dc342570 --- /dev/null +++ b/soup/screen/mmcifs/denovo91_s20.cif @@ -0,0 +1,613 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 14 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 15 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 16 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 17 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 18 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 19 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 20 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 21 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 22 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 23 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 24 N N GLU A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA GLU A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C GLU A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O GLU A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB GLU A 4 6.128 8.675 -5.775 1.00 0.00 +ATOM 29 C CG GLU A 4 7.103 7.478 -5.820 1.00 0.00 +ATOM 30 C CD GLU A 4 6.855 6.640 -7.086 1.00 0.00 +ATOM 31 O OE1 GLU A 4 5.992 5.781 -7.080 1.00 0.00 +ATOM 32 O OE2 GLU A 4 7.812 6.661 -8.145 1.00 0.00 +ATOM 33 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 34 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 35 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 36 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 37 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 38 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 39 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 40 N N ARG A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 41 C CA ARG A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 42 C C ARG A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 43 O O ARG A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 44 C CB ARG A 6 -0.376 4.406 -7.315 1.00 0.00 +ATOM 45 C CG ARG A 6 0.878 3.675 -7.816 1.00 0.00 +ATOM 46 C CD ARG A 6 0.580 2.899 -9.121 1.00 0.00 +ATOM 47 N NE ARG A 6 -0.696 2.182 -9.012 1.00 0.00 +ATOM 48 C CZ ARG A 6 -1.702 2.919 -9.920 1.00 0.00 +ATOM 49 N NH1 ARG A 6 -2.463 2.245 -10.695 1.00 0.00 +ATOM 50 N NH2 ARG A 6 -1.945 4.357 -9.739 1.00 0.00 +ATOM 51 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 52 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 53 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 54 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 55 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 56 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 57 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 58 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 59 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 60 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 61 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 62 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 63 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 64 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 65 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 66 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 67 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 68 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 69 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 74 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 75 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 76 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 77 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 78 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 79 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 80 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 81 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 82 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 83 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 84 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 85 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 86 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 87 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 88 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 89 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 90 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 91 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 92 N N SER A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 93 C CA SER A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 94 C C SER A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 95 O O SER A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 96 C CB SER A 12 1.337 -3.386 1.641 1.00 0.00 +ATOM 97 O OG SER A 12 0.440 -2.279 1.440 1.00 0.00 +ATOM 98 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 99 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 100 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 101 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 102 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 103 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 104 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 105 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 106 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 107 N N LYS A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 108 C CA LYS A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 109 C C LYS A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 110 O O LYS A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 111 C CB LYS A 14 6.631 -0.828 4.888 1.00 0.00 +ATOM 112 C CG LYS A 14 7.489 -1.655 3.890 1.00 0.00 +ATOM 113 C CD LYS A 14 8.621 -0.789 3.315 1.00 0.00 +ATOM 114 C CE LYS A 14 9.970 -1.501 3.543 1.00 0.00 +ATOM 115 N NZ LYS A 14 10.549 -1.077 4.824 1.00 0.00 +ATOM 116 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 117 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 118 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 119 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 120 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 121 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 122 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 123 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 124 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 125 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 126 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 127 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 128 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 129 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 130 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 131 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 132 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 133 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 134 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 135 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 136 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 137 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 138 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 139 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 140 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 141 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 142 N N GLY A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA GLY A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C GLY A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O GLY A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 147 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 148 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 149 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 150 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 151 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 152 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 153 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 154 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 155 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 156 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 157 N N LYS A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 158 C CA LYS A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 159 C C LYS A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 160 O O LYS A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 161 C CB LYS A 21 11.828 -5.761 16.069 1.00 0.00 +ATOM 162 C CG LYS A 21 11.137 -4.922 14.958 1.00 0.00 +ATOM 163 C CD LYS A 21 12.182 -4.385 13.968 1.00 0.00 +ATOM 164 C CE LYS A 21 11.784 -4.799 12.536 1.00 0.00 +ATOM 165 N NZ LYS A 21 12.402 -6.088 12.199 1.00 0.00 +ATOM 166 N N PRO A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 167 C CA PRO A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 168 C C PRO A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 169 O O PRO A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 170 C CB PRO A 22 10.732 -10.146 12.945 1.00 0.00 +ATOM 171 C CG PRO A 22 11.695 -10.229 14.152 1.00 0.00 +ATOM 172 C CD PRO A 22 10.920 -10.840 15.324 1.00 0.00 +ATOM 173 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 174 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 175 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 176 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 177 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 178 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 179 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 180 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 181 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 182 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 183 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 184 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 185 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 186 N N ALA A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 187 C CA ALA A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 188 C C ALA A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 189 O O ALA A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 190 C CB ALA A 25 3.926 -12.856 18.246 1.00 0.00 +ATOM 191 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 192 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 193 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 194 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 195 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 196 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 197 N N ALA A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA ALA A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C ALA A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O ALA A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB ALA A 27 4.727 -18.637 20.753 1.00 0.00 +ATOM 202 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 203 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 204 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 205 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 206 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 207 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 208 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 209 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 210 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 211 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 212 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 213 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 214 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 215 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 216 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 217 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 218 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 219 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 220 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 221 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 222 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 223 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 224 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 225 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 226 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 227 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 228 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 229 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 230 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 231 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 236 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 237 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 238 N N ASP A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA ASP A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C ASP A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O ASP A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB ASP A 33 -5.821 -27.433 23.452 1.00 0.00 +ATOM 243 C CG ASP A 33 -6.915 -27.289 22.439 1.00 0.00 +ATOM 244 O OD1 ASP A 33 -7.532 -26.234 22.314 1.00 0.00 +ATOM 245 O OD2 ASP A 33 -7.523 -28.481 21.876 1.00 0.00 +ATOM 246 N N VAL A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 247 C CA VAL A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 248 C C VAL A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 249 O O VAL A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 250 C CB VAL A 34 -0.660 -25.788 20.350 1.00 0.00 +ATOM 251 C CG2 VAL A 34 -0.129 -25.408 21.755 1.00 0.00 +ATOM 252 C CG1 VAL A 34 0.463 -26.478 19.550 1.00 0.00 +ATOM 253 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 254 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 255 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 256 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 257 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 258 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 259 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 260 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 261 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 262 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 263 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 264 N N THR A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 265 C CA THR A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 266 C C THR A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 267 O O THR A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 268 C CB THR A 36 -3.457 -31.586 15.675 1.00 0.00 +ATOM 269 O OG1 THR A 36 -4.353 -31.290 16.762 1.00 0.00 +ATOM 270 C CG2 THR A 36 -4.239 -31.536 14.346 1.00 0.00 +ATOM 271 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 272 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 273 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 274 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 275 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 276 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 277 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 278 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 279 N N PRO A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 280 C CA PRO A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 281 C C PRO A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 282 O O PRO A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 283 C CB PRO A 39 0.325 -25.868 19.666 1.00 0.00 +ATOM 284 C CG PRO A 39 0.074 -25.000 18.411 1.00 0.00 +ATOM 285 C CD PRO A 39 -1.358 -25.273 17.936 1.00 0.00 +ATOM 286 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 287 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 288 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 289 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 290 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 291 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 292 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 293 N N PRO A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 294 C CA PRO A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 295 C C PRO A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 296 O O PRO A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 297 C CB PRO A 41 -3.093 -19.727 23.288 1.00 0.00 +ATOM 298 C CG PRO A 41 -1.725 -20.446 23.358 1.00 0.00 +ATOM 299 C CD PRO A 41 -1.992 -21.955 23.347 1.00 0.00 +ATOM 300 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 301 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 302 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 303 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 304 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 305 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 306 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 307 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 308 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 309 N N GLU A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA GLU A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C GLU A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O GLU A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB GLU A 43 -8.008 -23.110 20.918 1.00 0.00 +ATOM 314 C CG GLU A 43 -6.703 -23.544 21.620 1.00 0.00 +ATOM 315 C CD GLU A 43 -6.611 -22.900 23.015 1.00 0.00 +ATOM 316 O OE1 GLU A 43 -6.155 -21.777 23.129 1.00 0.00 +ATOM 317 O OE2 GLU A 43 -6.776 -23.709 24.179 1.00 0.00 +ATOM 318 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 319 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 320 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 321 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 322 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 323 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 324 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 325 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 326 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 327 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 328 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 329 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 330 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 331 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 332 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 333 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 334 N N GLY A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 335 C CA GLY A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 336 C C GLY A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 337 O O GLY A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 338 N N ARG A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 339 C CA ARG A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 340 C C ARG A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 341 O O ARG A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 342 C CB ARG A 47 -10.905 -11.611 14.353 1.00 0.00 +ATOM 343 C CG ARG A 47 -9.577 -12.369 14.498 1.00 0.00 +ATOM 344 C CD ARG A 47 -8.788 -12.361 13.168 1.00 0.00 +ATOM 345 N NE ARG A 47 -9.682 -12.651 12.039 1.00 0.00 +ATOM 346 C CZ ARG A 47 -9.857 -11.332 11.257 1.00 0.00 +ATOM 347 N NH1 ARG A 47 -9.777 -11.341 9.983 1.00 0.00 +ATOM 348 N NH2 ARG A 47 -10.333 -10.124 11.945 1.00 0.00 +ATOM 349 N N THR A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 350 C CA THR A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 351 C C THR A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 352 O O THR A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 353 C CB THR A 48 -15.012 -11.086 10.823 1.00 0.00 +ATOM 354 O OG1 THR A 48 -15.533 -10.531 12.045 1.00 0.00 +ATOM 355 C CG2 THR A 48 -15.524 -10.252 9.630 1.00 0.00 +ATOM 356 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 357 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 358 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 359 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 360 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 361 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 362 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 363 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 364 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 365 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 366 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 367 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 368 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 369 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 370 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 371 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 372 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 373 N N LYS A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 374 C CA LYS A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 375 C C LYS A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 376 O O LYS A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 377 C CB LYS A 51 -17.081 -2.073 4.915 1.00 0.00 +ATOM 378 C CG LYS A 51 -18.502 -2.579 4.537 1.00 0.00 +ATOM 379 C CD LYS A 51 -18.477 -4.094 4.280 1.00 0.00 +ATOM 380 C CE LYS A 51 -19.538 -4.777 5.166 1.00 0.00 +ATOM 381 N NZ LYS A 51 -18.939 -5.174 6.447 1.00 0.00 +ATOM 382 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 383 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 384 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 385 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 386 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 387 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 388 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 389 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 390 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 391 N N SER A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 392 C CA SER A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 393 C C SER A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 394 O O SER A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 395 C CB SER A 53 -23.339 -3.171 9.719 1.00 0.00 +ATOM 396 O OG SER A 53 -22.889 -2.375 10.829 1.00 0.00 +ATOM 397 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 398 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 399 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 400 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 401 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 402 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 403 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 404 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 405 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 406 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 407 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 408 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 409 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 410 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 411 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 412 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 413 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 414 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 415 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 416 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 417 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 418 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 419 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 420 N N LYS A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 421 C CA LYS A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 422 C C LYS A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 423 O O LYS A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 424 C CB LYS A 57 -27.167 0.127 15.264 1.00 0.00 +ATOM 425 C CG LYS A 57 -27.834 1.431 15.785 1.00 0.00 +ATOM 426 C CD LYS A 57 -27.226 2.657 15.087 1.00 0.00 +ATOM 427 C CE LYS A 57 -28.357 3.495 14.458 1.00 0.00 +ATOM 428 N NZ LYS A 57 -28.593 3.059 13.076 1.00 0.00 +ATOM 429 N N PRO A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 430 C CA PRO A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 431 C C PRO A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 432 O O PRO A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 433 C CB PRO A 58 -31.798 -0.519 14.269 1.00 0.00 +ATOM 434 C CG PRO A 58 -32.915 -0.178 15.283 1.00 0.00 +ATOM 435 C CD PRO A 58 -34.252 -0.593 14.659 1.00 0.00 +ATOM 436 N N ASP A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 437 C CA ASP A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 438 C C ASP A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 439 O O ASP A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 440 C CB ASP A 59 -32.089 2.626 18.199 1.00 0.00 +ATOM 441 C CG ASP A 59 -30.612 2.804 18.023 1.00 0.00 +ATOM 442 O OD1 ASP A 59 -29.938 1.972 17.420 1.00 0.00 +ATOM 443 O OD2 ASP A 59 -29.900 3.731 18.884 1.00 0.00 +ATOM 444 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 445 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 446 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 447 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 448 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 449 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 450 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 451 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 452 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 453 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 454 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 455 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 456 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 457 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 458 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 459 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 460 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 461 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 462 N N PRO A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 463 C CA PRO A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 464 C C PRO A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 465 O O PRO A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 466 C CB PRO A 62 -38.695 11.039 16.235 1.00 0.00 +ATOM 467 C CG PRO A 62 -38.726 10.309 17.599 1.00 0.00 +ATOM 468 C CD PRO A 62 -37.416 9.525 17.736 1.00 0.00 +ATOM 469 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 470 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 471 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 472 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 473 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 474 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 475 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 476 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 477 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 478 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 479 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 480 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 481 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 482 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 483 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 484 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 485 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 486 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 487 N N ALA A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 488 C CA ALA A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 489 C C ALA A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 490 O O ALA A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 491 C CB ALA A 65 -32.871 10.659 18.577 1.00 0.00 +ATOM 492 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 493 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 494 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 495 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 496 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 497 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 498 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 499 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 500 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 501 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 502 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 503 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 504 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 505 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 506 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 507 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 508 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 509 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 510 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 511 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 512 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 513 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 514 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 515 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 516 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 517 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 518 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 519 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 520 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 521 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 522 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 523 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 524 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 525 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 526 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 527 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 528 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 529 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 530 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 531 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 532 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 533 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 534 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 535 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 536 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 537 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 538 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 539 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 540 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 541 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 542 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 543 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 544 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 545 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 546 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 547 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 548 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 549 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 550 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 551 N N LYS A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 552 C CA LYS A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 553 C C LYS A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 554 O O LYS A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 555 C CB LYS A 74 -29.497 8.003 16.242 1.00 0.00 +ATOM 556 C CG LYS A 74 -28.576 9.254 16.315 1.00 0.00 +ATOM 557 C CD LYS A 74 -28.362 9.674 17.777 1.00 0.00 +ATOM 558 C CE LYS A 74 -26.848 9.758 18.064 1.00 0.00 +ATOM 559 N NZ LYS A 74 -26.361 8.465 18.560 1.00 0.00 +ATOM 560 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 561 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 562 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 563 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 564 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 565 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 566 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 567 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 568 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 569 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 570 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 571 N N GLY A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 572 C CA GLY A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 573 C C GLY A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 574 O O GLY A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 575 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 576 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 577 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 578 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 579 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 580 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 581 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 582 N N VAL A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 583 C CA VAL A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 584 C C VAL A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 585 O O VAL A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 586 C CB VAL A 79 -22.557 9.480 16.671 1.00 0.00 +ATOM 587 C CG2 VAL A 79 -22.303 8.434 15.558 1.00 0.00 +ATOM 588 C CG1 VAL A 79 -22.252 8.848 18.044 1.00 0.00 +ATOM 589 N N GLU A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 590 C CA GLU A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 591 C C GLU A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 592 O O GLU A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 593 C CB GLU A 80 -17.949 10.801 18.516 1.00 0.00 +ATOM 594 C CG GLU A 80 -18.476 11.896 17.564 1.00 0.00 +ATOM 595 C CD GLU A 80 -19.183 13.003 18.367 1.00 0.00 +ATOM 596 O OE1 GLU A 80 -20.355 12.872 18.668 1.00 0.00 +ATOM 597 O OE2 GLU A 80 -18.566 14.284 18.496 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo92_s20.cif b/soup/screen/mmcifs/denovo92_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..b6d4aaec3de7c6c133b7ef4484c2fc0ee5670117 --- /dev/null +++ b/soup/screen/mmcifs/denovo92_s20.cif @@ -0,0 +1,567 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N GLY A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA GLY A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C GLY A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O GLY A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 6 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 7 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 8 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 9 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 10 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 11 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 12 N N GLU A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 13 C CA GLU A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 14 C C GLU A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 15 O O GLU A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 16 C CB GLU A 3 4.838 4.268 -4.294 1.00 0.00 +ATOM 17 C CG GLU A 3 3.481 3.599 -4.600 1.00 0.00 +ATOM 18 C CD GLU A 3 2.518 4.620 -5.232 1.00 0.00 +ATOM 19 O OE1 GLU A 3 1.858 5.348 -4.514 1.00 0.00 +ATOM 20 O OE2 GLU A 3 2.181 4.510 -6.615 1.00 0.00 +ATOM 21 N N VAL A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA VAL A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C VAL A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O VAL A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB VAL A 4 6.138 8.666 -5.729 1.00 0.00 +ATOM 26 C CG2 VAL A 4 7.008 7.451 -6.135 1.00 0.00 +ATOM 27 C CG1 VAL A 4 6.192 9.728 -6.846 1.00 0.00 +ATOM 28 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 33 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 34 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 35 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 36 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 37 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 38 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 39 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 40 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 41 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 42 N N PRO A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA PRO A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C PRO A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O PRO A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB PRO A 7 -1.579 5.258 -2.686 1.00 0.00 +ATOM 47 C CG PRO A 7 -2.456 4.281 -1.869 1.00 0.00 +ATOM 48 C CD PRO A 7 -2.440 4.750 -0.410 1.00 0.00 +ATOM 49 N N THR A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 50 C CA THR A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 51 C C THR A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 52 O O THR A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 53 C CB THR A 8 -0.648 0.552 -1.228 1.00 0.00 +ATOM 54 O OG1 THR A 8 -0.083 -0.091 -2.385 1.00 0.00 +ATOM 55 C CG2 THR A 8 0.421 1.456 -0.578 1.00 0.00 +ATOM 56 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 61 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 62 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 63 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 64 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 65 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 66 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 67 N N SER A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 68 C CA SER A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 69 C C SER A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 70 O O SER A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 71 C CB SER A 11 0.178 -1.982 6.399 1.00 0.00 +ATOM 72 O OG SER A 11 -0.879 -2.909 6.706 1.00 0.00 +ATOM 73 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 74 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 75 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 76 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 77 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 78 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 79 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 80 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 81 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 82 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 83 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 84 N N GLY A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 85 C CA GLY A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 86 C C GLY A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 87 O O GLY A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 88 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 89 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 90 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 91 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 92 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 93 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 94 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 95 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 96 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 97 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 98 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 99 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 100 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 101 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 102 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 103 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 104 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 105 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 106 N N GLY A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 107 C CA GLY A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 108 C C GLY A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 109 O O GLY A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 110 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 111 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 112 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 113 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 114 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 115 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 116 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 117 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 118 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 119 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 120 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 121 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 122 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 123 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 124 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 125 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 126 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 127 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 128 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 129 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 130 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 131 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 132 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 133 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 134 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 135 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 136 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 137 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 138 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 139 N N VAL A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 140 C CA VAL A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 141 C C VAL A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 142 O O VAL A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 143 C CB VAL A 22 10.756 -10.166 12.842 1.00 0.00 +ATOM 144 C CG2 VAL A 22 11.188 -10.453 14.301 1.00 0.00 +ATOM 145 C CG1 VAL A 22 9.487 -10.980 12.517 1.00 0.00 +ATOM 146 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 147 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 148 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 149 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 150 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 151 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 152 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 153 N N PRO A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 154 C CA PRO A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 155 C C PRO A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 156 O O PRO A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 157 C CB PRO A 24 6.336 -11.627 12.921 1.00 0.00 +ATOM 158 C CG PRO A 24 7.605 -10.918 12.391 1.00 0.00 +ATOM 159 C CD PRO A 24 8.730 -11.957 12.337 1.00 0.00 +ATOM 160 N N PRO A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 161 C CA PRO A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 162 C C PRO A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 163 O O PRO A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 164 C CB PRO A 25 3.922 -12.842 18.241 1.00 0.00 +ATOM 165 C CG PRO A 25 2.969 -11.974 17.387 1.00 0.00 +ATOM 166 C CD PRO A 25 3.778 -11.413 16.212 1.00 0.00 +ATOM 167 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 168 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 169 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 170 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 171 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 172 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 173 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 174 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 175 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 176 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 177 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 178 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 179 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 180 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 181 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 182 N N ARG A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 183 C CA ARG A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 184 C C ARG A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 185 O O ARG A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 186 C CB ARG A 28 6.928 -23.152 20.083 1.00 0.00 +ATOM 187 C CG ARG A 28 7.743 -22.248 21.019 1.00 0.00 +ATOM 188 C CD ARG A 28 7.713 -22.785 22.470 1.00 0.00 +ATOM 189 N NE ARG A 28 6.351 -23.190 22.839 1.00 0.00 +ATOM 190 C CZ ARG A 28 6.343 -24.732 22.897 1.00 0.00 +ATOM 191 N NH1 ARG A 28 5.779 -25.322 23.880 1.00 0.00 +ATOM 192 N NH2 ARG A 28 6.775 -25.517 21.733 1.00 0.00 +ATOM 193 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 194 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 195 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 196 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 197 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 198 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 199 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 200 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 201 N N THR A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 202 C CA THR A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 203 C C THR A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 204 O O THR A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 205 C CB THR A 30 1.461 -19.286 22.785 1.00 0.00 +ATOM 206 O OG1 THR A 30 2.577 -19.117 21.893 1.00 0.00 +ATOM 207 C CG2 THR A 30 0.702 -17.948 22.907 1.00 0.00 +ATOM 208 N N PRO A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 209 C CA PRO A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 210 C C PRO A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 211 O O PRO A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 212 C CB PRO A 31 -2.492 -19.826 19.294 1.00 0.00 +ATOM 213 C CG PRO A 31 -1.027 -20.312 19.180 1.00 0.00 +ATOM 214 C CD PRO A 31 -1.009 -21.512 18.227 1.00 0.00 +ATOM 215 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 216 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 217 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 218 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 219 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 220 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 221 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 222 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 223 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 224 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 225 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 226 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 227 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 228 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 229 N N ARG A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 230 C CA ARG A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 231 C C ARG A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 232 O O ARG A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 233 C CB ARG A 34 -0.617 -25.821 20.377 1.00 0.00 +ATOM 234 C CG ARG A 34 -0.311 -25.150 21.723 1.00 0.00 +ATOM 235 C CD ARG A 34 0.751 -25.953 22.512 1.00 0.00 +ATOM 236 N NE ARG A 34 0.455 -27.390 22.455 1.00 0.00 +ATOM 237 C CZ ARG A 34 1.516 -28.028 21.534 1.00 0.00 +ATOM 238 N NH1 ARG A 34 2.088 -29.113 21.890 1.00 0.00 +ATOM 239 N NH2 ARG A 34 1.705 -27.525 20.166 1.00 0.00 +ATOM 240 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 241 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 242 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 243 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 244 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 245 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 246 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 247 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 248 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 249 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 250 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 251 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 252 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 253 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 254 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 255 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 256 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 257 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 258 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 259 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 260 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 261 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 262 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 263 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 264 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 265 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 266 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 267 N N SER A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 268 C CA SER A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 269 C C SER A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 270 O O SER A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 271 C CB SER A 39 0.345 -25.909 19.692 1.00 0.00 +ATOM 272 O OG SER A 39 0.126 -24.644 19.044 1.00 0.00 +ATOM 273 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 274 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 275 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 276 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 277 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 278 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 279 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 280 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 281 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 282 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 283 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 284 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 285 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 286 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 287 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 288 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 289 N N PRO A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 290 C CA PRO A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 291 C C PRO A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 292 O O PRO A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 293 C CB PRO A 43 -7.930 -23.084 20.973 1.00 0.00 +ATOM 294 C CG PRO A 43 -6.489 -23.390 21.443 1.00 0.00 +ATOM 295 C CD PRO A 43 -6.535 -23.625 22.957 1.00 0.00 +ATOM 296 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 297 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 298 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 299 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 300 N N GLU A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 301 C CA GLU A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 302 C C GLU A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 303 O O GLU A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 304 C CB GLU A 45 -12.047 -15.369 20.434 1.00 0.00 +ATOM 305 C CG GLU A 45 -11.226 -14.847 21.633 1.00 0.00 +ATOM 306 C CD GLU A 45 -10.037 -14.006 21.135 1.00 0.00 +ATOM 307 O OE1 GLU A 45 -8.999 -14.558 20.821 1.00 0.00 +ATOM 308 O OE2 GLU A 45 -10.047 -12.591 21.322 1.00 0.00 +ATOM 309 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 310 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 311 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 312 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 313 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 314 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 315 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 316 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 317 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 318 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 319 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 320 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 321 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 322 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 323 N N LYS A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 324 C CA LYS A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 325 C C LYS A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 326 O O LYS A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 327 C CB LYS A 48 -15.002 -11.134 10.790 1.00 0.00 +ATOM 328 C CG LYS A 48 -15.618 -9.886 11.483 1.00 0.00 +ATOM 329 C CD LYS A 48 -15.360 -9.936 12.997 1.00 0.00 +ATOM 330 C CE LYS A 48 -14.676 -8.626 13.439 1.00 0.00 +ATOM 331 N NZ LYS A 48 -13.216 -8.779 13.374 1.00 0.00 +ATOM 332 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 333 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 334 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 335 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 336 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 337 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 338 N N THR A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 339 C CA THR A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 340 C C THR A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 341 O O THR A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 342 C CB THR A 50 -16.408 -6.798 6.320 1.00 0.00 +ATOM 343 O OG1 THR A 50 -16.724 -7.161 7.676 1.00 0.00 +ATOM 344 C CG2 THR A 50 -17.531 -5.898 5.762 1.00 0.00 +ATOM 345 N N THR A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 346 C CA THR A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 347 C C THR A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 348 O O THR A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 349 C CB THR A 51 -17.132 -2.103 4.910 1.00 0.00 +ATOM 350 O OG1 THR A 51 -17.901 -3.116 4.236 1.00 0.00 +ATOM 351 C CG2 THR A 51 -18.001 -0.840 5.086 1.00 0.00 +ATOM 352 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 353 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 354 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 355 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 356 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 357 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 358 N N THR A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 359 C CA THR A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 360 C C THR A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 361 O O THR A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 362 C CB THR A 53 -23.329 -3.225 9.717 1.00 0.00 +ATOM 363 O OG1 THR A 53 -22.806 -2.558 10.881 1.00 0.00 +ATOM 364 C CG2 THR A 53 -24.823 -2.872 9.559 1.00 0.00 +ATOM 365 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 366 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 367 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 368 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 369 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 370 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 371 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 372 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 373 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 374 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 375 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 376 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 377 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 378 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 379 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 380 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 381 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 382 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 383 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 384 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 385 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 386 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 387 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 388 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 389 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 390 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 391 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 392 N N GLY A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 393 C CA GLY A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 394 C C GLY A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 395 O O GLY A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 396 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 397 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 398 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 399 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 400 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 401 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 402 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 403 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 404 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 405 N N VAL A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 406 C CA VAL A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 407 C C VAL A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 408 O O VAL A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 409 C CB VAL A 60 -33.436 6.596 15.213 1.00 0.00 +ATOM 410 C CG2 VAL A 60 -34.617 5.605 15.062 1.00 0.00 +ATOM 411 C CG1 VAL A 60 -33.948 8.035 15.001 1.00 0.00 +ATOM 412 N N PRO A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 413 C CA PRO A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 414 C C PRO A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 415 O O PRO A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 416 C CB PRO A 61 -34.007 9.635 19.131 1.00 0.00 +ATOM 417 C CG PRO A 61 -32.613 9.155 18.662 1.00 0.00 +ATOM 418 C CD PRO A 61 -31.814 10.392 18.237 1.00 0.00 +ATOM 419 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 420 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 421 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 422 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 423 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 424 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 425 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 426 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 427 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 428 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 429 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 430 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 431 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 432 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 433 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 434 N N SER A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 435 C CA SER A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 436 C C SER A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 437 O O SER A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 438 C CB SER A 64 -32.996 15.379 17.123 1.00 0.00 +ATOM 439 O OG SER A 64 -34.334 15.557 17.619 1.00 0.00 +ATOM 440 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 441 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 442 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 443 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 444 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 445 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 446 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 447 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 448 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 449 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 450 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 451 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 452 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 453 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 454 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 455 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 456 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 457 N N ASP A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 458 C CA ASP A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 459 C C ASP A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 460 O O ASP A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 461 C CB ASP A 68 -26.567 16.398 23.569 1.00 0.00 +ATOM 462 C CG ASP A 68 -27.651 15.426 23.922 1.00 0.00 +ATOM 463 O OD1 ASP A 68 -28.561 15.175 23.135 1.00 0.00 +ATOM 464 O OD2 ASP A 68 -27.866 15.076 25.314 1.00 0.00 +ATOM 465 N N THR A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 466 C CA THR A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 467 C C THR A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 468 O O THR A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 469 C CB THR A 69 -21.792 13.633 23.009 1.00 0.00 +ATOM 470 O OG1 THR A 69 -22.128 14.733 23.875 1.00 0.00 +ATOM 471 C CG2 THR A 69 -21.217 12.479 23.856 1.00 0.00 +ATOM 472 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 473 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 474 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 475 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 476 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 477 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 478 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 479 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 480 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 481 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 482 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 483 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 484 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 485 N N SER A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 486 C CA SER A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 487 C C SER A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 488 O O SER A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 489 C CB SER A 72 -26.641 9.736 20.975 1.00 0.00 +ATOM 490 O OG SER A 72 -25.684 8.931 21.688 1.00 0.00 +ATOM 491 N N ASP A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 492 C CA ASP A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 493 C C ASP A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 494 O O ASP A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 495 C CB ASP A 73 -30.768 6.887 21.419 1.00 0.00 +ATOM 496 C CG ASP A 73 -31.414 8.198 21.093 1.00 0.00 +ATOM 497 O OD1 ASP A 73 -30.870 9.263 21.373 1.00 0.00 +ATOM 498 O OD2 ASP A 73 -32.838 8.238 20.812 1.00 0.00 +ATOM 499 N N ALA A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 500 C CA ALA A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 501 C C ALA A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 502 O O ALA A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 503 C CB ALA A 74 -29.373 8.086 16.270 1.00 0.00 +ATOM 504 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 505 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 506 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 507 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 508 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 509 N N ARG A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 510 C CA ARG A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 511 C C ARG A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 512 O O ARG A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 513 C CB ARG A 76 -27.904 9.248 11.557 1.00 0.00 +ATOM 514 C CG ARG A 76 -28.995 8.901 12.580 1.00 0.00 +ATOM 515 C CD ARG A 76 -29.335 10.126 13.462 1.00 0.00 +ATOM 516 N NE ARG A 76 -28.106 10.803 13.896 1.00 0.00 +ATOM 517 C CZ ARG A 76 -28.029 12.132 13.115 1.00 0.00 +ATOM 518 N NH1 ARG A 76 -27.726 13.208 13.733 1.00 0.00 +ATOM 519 N NH2 ARG A 76 -28.081 12.129 11.647 1.00 0.00 +ATOM 520 N N ALA A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 521 C CA ALA A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 522 C C ALA A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 523 O O ALA A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 524 C CB ALA A 77 -25.473 13.057 12.742 1.00 0.00 +ATOM 525 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 526 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 527 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 528 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 529 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 530 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 531 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 532 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 533 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 534 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 535 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 536 N N ALA A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 537 C CA ALA A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 538 C C ALA A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 539 O O ALA A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 540 C CB ALA A 79 -22.472 9.428 16.630 1.00 0.00 +ATOM 541 N N ARG A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 542 C CA ARG A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 543 C C ARG A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 544 O O ARG A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 545 C CB ARG A 80 -17.960 10.830 18.507 1.00 0.00 +ATOM 546 C CG ARG A 80 -18.524 11.908 17.570 1.00 0.00 +ATOM 547 C CD ARG A 80 -18.679 13.257 18.311 1.00 0.00 +ATOM 548 N NE ARG A 80 -19.274 13.049 19.637 1.00 0.00 +ATOM 549 C CZ ARG A 80 -18.154 13.287 20.672 1.00 0.00 +ATOM 550 N NH1 ARG A 80 -18.394 13.994 21.708 1.00 0.00 +ATOM 551 N NH2 ARG A 80 -16.898 12.528 20.587 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo93_s20.cif b/soup/screen/mmcifs/denovo93_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..817fbd96dbed91a91a06575802e244b210789d96 --- /dev/null +++ b/soup/screen/mmcifs/denovo93_s20.cif @@ -0,0 +1,622 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ALA A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ALA A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ALA A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ALA A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ALA A 1 2.004 -0.743 -1.246 1.00 0.00 +ATOM 6 N N PRO A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 7 C CA PRO A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 8 C C PRO A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 9 O O PRO A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 10 C CB PRO A 2 2.182 4.229 0.404 1.00 0.00 +ATOM 11 C CG PRO A 2 2.052 3.049 1.395 1.00 0.00 +ATOM 12 C CD PRO A 2 3.420 2.841 2.053 1.00 0.00 +ATOM 13 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 18 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 19 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 20 N N THR A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA THR A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C THR A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O THR A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB THR A 4 6.136 8.649 -5.731 1.00 0.00 +ATOM 25 O OG1 THR A 4 6.928 7.499 -6.082 1.00 0.00 +ATOM 26 C CG2 THR A 4 6.208 9.681 -6.876 1.00 0.00 +ATOM 27 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 28 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 29 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 30 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 31 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 32 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 33 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 34 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 35 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 36 N N THR A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA THR A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C THR A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O THR A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB THR A 6 -0.374 4.446 -7.355 1.00 0.00 +ATOM 41 O OG1 THR A 6 0.810 3.645 -7.522 1.00 0.00 +ATOM 42 C CG2 THR A 6 -1.395 3.670 -6.496 1.00 0.00 +ATOM 43 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 44 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 45 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 46 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 47 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 48 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 49 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 50 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 51 N N GLU A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 52 C CA GLU A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 53 C C GLU A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 54 O O GLU A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 55 C CB GLU A 8 -0.666 0.524 -1.189 1.00 0.00 +ATOM 56 C CG GLU A 8 -0.236 -0.477 -2.282 1.00 0.00 +ATOM 57 C CD GLU A 8 0.426 0.271 -3.454 1.00 0.00 +ATOM 58 O OE1 GLU A 8 -0.269 0.746 -4.334 1.00 0.00 +ATOM 59 O OE2 GLU A 8 1.833 0.151 -3.663 1.00 0.00 +ATOM 60 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 61 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 62 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 63 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 64 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 65 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 66 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 67 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 68 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 69 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 70 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 71 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 72 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 73 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 74 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 75 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 76 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 77 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 78 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 79 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 80 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 85 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 86 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 87 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 88 N N ARG A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 89 C CA ARG A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 90 C C ARG A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 91 O O ARG A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 92 C CB ARG A 13 3.765 1.069 0.459 1.00 0.00 +ATOM 93 C CG ARG A 13 2.395 1.370 1.084 1.00 0.00 +ATOM 94 C CD ARG A 13 2.536 2.333 2.286 1.00 0.00 +ATOM 95 N NE ARG A 13 3.661 1.930 3.138 1.00 0.00 +ATOM 96 C CZ ARG A 13 4.777 2.975 2.928 1.00 0.00 +ATOM 97 N NH1 ARG A 13 5.396 3.447 3.942 1.00 0.00 +ATOM 98 N NH2 ARG A 13 5.279 3.259 1.577 1.00 0.00 +ATOM 99 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 100 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 101 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 102 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 103 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 104 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 105 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 106 N N GLU A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 107 C CA GLU A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 108 C C GLU A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 109 O O GLU A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 110 C CB GLU A 15 8.933 3.926 3.826 1.00 0.00 +ATOM 111 C CG GLU A 15 7.517 4.249 4.348 1.00 0.00 +ATOM 112 C CD GLU A 15 7.544 4.432 5.876 1.00 0.00 +ATOM 113 O OE1 GLU A 15 7.457 3.458 6.601 1.00 0.00 +ATOM 114 O OE2 GLU A 15 7.372 5.735 6.433 1.00 0.00 +ATOM 115 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 116 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 117 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 118 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 119 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 120 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 121 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 122 N N GLU A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 123 C CA GLU A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 124 C C GLU A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 125 O O GLU A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 126 C CB GLU A 17 10.979 -1.407 7.718 1.00 0.00 +ATOM 127 C CG GLU A 17 11.008 -0.682 6.356 1.00 0.00 +ATOM 128 C CD GLU A 17 12.403 -0.082 6.104 1.00 0.00 +ATOM 129 O OE1 GLU A 17 12.676 1.015 6.556 1.00 0.00 +ATOM 130 O OE2 GLU A 17 13.251 -0.661 5.113 1.00 0.00 +ATOM 131 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 136 N N ASP A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 137 C CA ASP A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 138 C C ASP A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 139 O O ASP A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 140 C CB ASP A 19 16.181 -3.483 8.801 1.00 0.00 +ATOM 141 C CG ASP A 19 16.932 -2.718 9.847 1.00 0.00 +ATOM 142 O OD1 ASP A 19 17.255 -3.243 10.910 1.00 0.00 +ATOM 143 O OD2 ASP A 19 16.941 -1.267 9.797 1.00 0.00 +ATOM 144 N N ALA A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 145 C CA ALA A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 146 C C ALA A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 147 O O ALA A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 148 C CB ALA A 20 15.869 -5.539 13.629 1.00 0.00 +ATOM 149 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 150 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 151 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 152 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 153 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 154 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 155 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 156 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 157 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 158 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 159 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 160 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 161 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 162 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 163 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 164 N N ARG A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 165 C CA ARG A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 166 C C ARG A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 167 O O ARG A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 168 C CB ARG A 23 7.004 -6.146 13.760 1.00 0.00 +ATOM 169 C CG ARG A 23 7.910 -5.879 12.550 1.00 0.00 +ATOM 170 C CD ARG A 23 7.247 -6.375 11.243 1.00 0.00 +ATOM 171 N NE ARG A 23 6.655 -7.703 11.440 1.00 0.00 +ATOM 172 C CZ ARG A 23 5.123 -7.513 11.447 1.00 0.00 +ATOM 173 N NH1 ARG A 23 4.387 -8.315 10.778 1.00 0.00 +ATOM 174 N NH2 ARG A 23 4.501 -6.569 12.384 1.00 0.00 +ATOM 175 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 176 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 177 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 178 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 179 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 180 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 181 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 182 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 183 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 184 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 185 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 186 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 187 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 188 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 189 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 190 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 191 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 192 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 193 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 194 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 195 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 196 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 197 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 198 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 199 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 200 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 201 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 202 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 203 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 204 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 205 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 206 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 207 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 208 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 209 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 210 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 211 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 212 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 213 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 214 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 215 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 216 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 217 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 218 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 219 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 220 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 221 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 222 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 223 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 224 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 225 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 226 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 227 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 228 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 229 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 230 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 231 N N THR A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 232 C CA THR A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 233 C C THR A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 234 O O THR A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 235 C CB THR A 32 -6.258 -22.704 21.070 1.00 0.00 +ATOM 236 O OG1 THR A 32 -5.678 -22.232 19.840 1.00 0.00 +ATOM 237 C CG2 THR A 32 -6.945 -24.063 20.819 1.00 0.00 +ATOM 238 N N GLU A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 239 C CA GLU A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 240 C C GLU A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 241 O O GLU A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 242 C CB GLU A 33 -5.758 -27.445 23.493 1.00 0.00 +ATOM 243 C CG GLU A 33 -7.155 -26.857 23.201 1.00 0.00 +ATOM 244 C CD GLU A 33 -7.406 -26.814 21.683 1.00 0.00 +ATOM 245 O OE1 GLU A 33 -7.005 -25.866 21.034 1.00 0.00 +ATOM 246 O OE2 GLU A 33 -8.346 -27.715 21.098 1.00 0.00 +ATOM 247 N N LYS A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 248 C CA LYS A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 249 C C LYS A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 250 O O LYS A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 251 C CB LYS A 34 -0.692 -25.775 20.317 1.00 0.00 +ATOM 252 C CG LYS A 34 0.356 -26.034 21.436 1.00 0.00 +ATOM 253 C CD LYS A 34 -0.213 -25.624 22.803 1.00 0.00 +ATOM 254 C CE LYS A 34 -0.097 -26.814 23.778 1.00 0.00 +ATOM 255 N NZ LYS A 34 -1.320 -27.625 23.722 1.00 0.00 +ATOM 256 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 257 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 258 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 259 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 260 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 261 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 262 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 263 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 264 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 265 N N GLY A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 266 C CA GLY A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 267 C C GLY A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 268 O O GLY A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 269 N N LYS A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 270 C CA LYS A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 271 C C LYS A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 272 O O LYS A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 273 C CB LYS A 37 -4.761 -27.476 13.544 1.00 0.00 +ATOM 274 C CG LYS A 37 -6.134 -27.773 14.209 1.00 0.00 +ATOM 275 C CD LYS A 37 -6.077 -29.103 14.977 1.00 0.00 +ATOM 276 C CE LYS A 37 -6.529 -28.867 16.433 1.00 0.00 +ATOM 277 N NZ LYS A 37 -5.366 -28.549 17.272 1.00 0.00 +ATOM 278 N N GLY A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 279 C CA GLY A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 280 C C GLY A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 281 O O GLY A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 282 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 283 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 284 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 285 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 286 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 287 N N THR A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 288 C CA THR A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 289 C C THR A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 290 O O THR A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 291 C CB THR A 40 -1.611 -24.158 23.638 1.00 0.00 +ATOM 292 O OG1 THR A 40 -1.940 -23.048 24.492 1.00 0.00 +ATOM 293 C CG2 THR A 40 -1.461 -25.431 24.496 1.00 0.00 +ATOM 294 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 295 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 296 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 297 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 298 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 299 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 300 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 301 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 302 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 303 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 304 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 305 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 306 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 307 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 308 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 309 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 310 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 311 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 312 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 313 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 314 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 315 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 316 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 317 N N ALA A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 318 C CA ALA A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 319 C C ALA A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 320 O O ALA A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 321 C CB ALA A 44 -8.346 -17.317 22.606 1.00 0.00 +ATOM 322 N N PRO A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 323 C CA PRO A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 324 C C PRO A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 325 O O PRO A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 326 C CB PRO A 45 -11.959 -15.352 20.473 1.00 0.00 +ATOM 327 C CG PRO A 45 -11.097 -15.118 21.737 1.00 0.00 +ATOM 328 C CD PRO A 45 -10.007 -16.195 21.763 1.00 0.00 +ATOM 329 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 330 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 331 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 332 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 333 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 334 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 335 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 336 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 337 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 338 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 339 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 340 N N GLY A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 341 C CA GLY A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 342 C C GLY A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 343 O O GLY A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 344 N N ALA A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 345 C CA ALA A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 346 C C ALA A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 347 O O ALA A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 348 C CB ALA A 48 -15.008 -11.001 10.863 1.00 0.00 +ATOM 349 N N SER A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 350 C CA SER A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 351 C C SER A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 352 O O SER A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 353 C CB SER A 49 -11.363 -8.564 7.866 1.00 0.00 +ATOM 354 O OG SER A 49 -11.257 -9.917 7.388 1.00 0.00 +ATOM 355 N N GLU A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 356 C CA GLU A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 357 C C GLU A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 358 O O GLU A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 359 C CB GLU A 50 -16.438 -6.758 6.308 1.00 0.00 +ATOM 360 C CG GLU A 50 -16.688 -7.474 7.652 1.00 0.00 +ATOM 361 C CD GLU A 50 -16.918 -6.440 8.769 1.00 0.00 +ATOM 362 O OE1 GLU A 50 -15.962 -5.954 9.345 1.00 0.00 +ATOM 363 O OE2 GLU A 50 -18.224 -6.278 9.322 1.00 0.00 +ATOM 364 N N GLU A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 365 C CA GLU A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 366 C C GLU A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 367 O O GLU A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 368 C CB GLU A 51 -17.166 -2.068 4.928 1.00 0.00 +ATOM 369 C CG GLU A 51 -17.697 -3.187 4.006 1.00 0.00 +ATOM 370 C CD GLU A 51 -19.031 -3.731 4.547 1.00 0.00 +ATOM 371 O OE1 GLU A 51 -19.025 -4.602 5.398 1.00 0.00 +ATOM 372 O OE2 GLU A 51 -20.245 -3.439 3.856 1.00 0.00 +ATOM 373 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 374 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 375 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 376 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 377 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 378 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 379 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 380 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 381 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 382 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 383 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 384 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 385 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 386 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 387 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 388 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 389 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 390 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 391 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 392 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 393 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 394 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 395 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 396 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 397 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 398 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 399 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 400 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 401 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 402 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 403 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 404 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 405 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 406 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 407 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 408 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 409 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 410 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 411 N N GLU A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 412 C CA GLU A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 413 C C GLU A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 414 O O GLU A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 415 C CB GLU A 56 -25.428 3.705 12.579 1.00 0.00 +ATOM 416 C CG GLU A 56 -26.526 4.299 11.672 1.00 0.00 +ATOM 417 C CD GLU A 56 -27.877 3.619 11.961 1.00 0.00 +ATOM 418 O OE1 GLU A 56 -28.154 2.573 11.404 1.00 0.00 +ATOM 419 O OE2 GLU A 56 -28.905 4.348 12.631 1.00 0.00 +ATOM 420 N N PRO A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 421 C CA PRO A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 422 C C PRO A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 423 O O PRO A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 424 C CB PRO A 57 -27.240 0.260 15.259 1.00 0.00 +ATOM 425 C CG PRO A 57 -26.558 1.649 15.255 1.00 0.00 +ATOM 426 C CD PRO A 57 -27.512 2.637 15.933 1.00 0.00 +ATOM 427 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 428 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 429 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 430 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 431 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 432 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 433 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 434 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 435 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 436 N N ARG A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 437 C CA ARG A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 438 C C ARG A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 439 O O ARG A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 440 C CB ARG A 59 -32.133 2.627 18.202 1.00 0.00 +ATOM 441 C CG ARG A 59 -30.769 1.926 18.143 1.00 0.00 +ATOM 442 C CD ARG A 59 -30.521 1.092 19.422 1.00 0.00 +ATOM 443 N NE ARG A 59 -30.906 1.855 20.615 1.00 0.00 +ATOM 444 C CZ ARG A 59 -32.198 1.212 21.160 1.00 0.00 +ATOM 445 N NH1 ARG A 59 -32.312 0.990 22.413 1.00 0.00 +ATOM 446 N NH2 ARG A 59 -33.373 1.064 20.289 1.00 0.00 +ATOM 447 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 448 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 449 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 450 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 451 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 452 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 453 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 454 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 455 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 456 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 457 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 458 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 459 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 460 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 461 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 462 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 463 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 464 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 465 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 466 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 467 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 468 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 469 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 470 N N VAL A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 471 C CA VAL A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 472 C C VAL A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 473 O O VAL A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 474 C CB VAL A 63 -37.553 15.572 15.066 1.00 0.00 +ATOM 475 C CG2 VAL A 63 -38.630 15.174 16.105 1.00 0.00 +ATOM 476 C CG1 VAL A 63 -36.869 16.879 15.516 1.00 0.00 +ATOM 477 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 478 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 479 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 480 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 481 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 482 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 483 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 484 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 485 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 486 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 487 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 488 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 489 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 490 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 491 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 492 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 493 N N ARG A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 494 C CA ARG A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 495 C C ARG A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 496 O O ARG A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 497 C CB ARG A 66 -28.188 9.826 19.378 1.00 0.00 +ATOM 498 C CG ARG A 66 -29.204 9.727 18.232 1.00 0.00 +ATOM 499 C CD ARG A 66 -28.724 10.527 16.998 1.00 0.00 +ATOM 500 N NE ARG A 66 -28.200 11.836 17.407 1.00 0.00 +ATOM 501 C CZ ARG A 66 -26.668 11.780 17.227 1.00 0.00 +ATOM 502 N NH1 ARG A 66 -26.063 12.758 16.671 1.00 0.00 +ATOM 503 N NH2 ARG A 66 -25.886 10.725 17.886 1.00 0.00 +ATOM 504 N N VAL A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 505 C CA VAL A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 506 C C VAL A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 507 O O VAL A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 508 C CB VAL A 67 -28.343 15.567 19.094 1.00 0.00 +ATOM 509 C CG2 VAL A 67 -29.621 15.404 19.955 1.00 0.00 +ATOM 510 C CG1 VAL A 67 -27.639 16.886 19.473 1.00 0.00 +ATOM 511 N N ALA A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 512 C CA ALA A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 513 C C ALA A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 514 O O ALA A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 515 C CB ALA A 68 -26.562 16.371 23.534 1.00 0.00 +ATOM 516 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 517 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 518 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 519 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 520 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 521 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 522 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 523 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 524 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 525 N N THR A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 526 C CA THR A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 527 C C THR A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 528 O O THR A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 529 C CB THR A 70 -23.647 10.823 26.407 1.00 0.00 +ATOM 530 O OG1 THR A 70 -23.358 12.181 26.787 1.00 0.00 +ATOM 531 C CG2 THR A 70 -24.709 10.245 27.365 1.00 0.00 +ATOM 532 N N LYS A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 533 C CA LYS A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 534 C C LYS A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 535 O O LYS A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 536 C CB LYS A 71 -28.363 11.457 26.330 1.00 0.00 +ATOM 537 C CG LYS A 71 -28.088 12.723 25.471 1.00 0.00 +ATOM 538 C CD LYS A 71 -26.581 13.014 25.417 1.00 0.00 +ATOM 539 C CE LYS A 71 -26.136 13.118 23.944 1.00 0.00 +ATOM 540 N NZ LYS A 71 -25.709 11.800 23.457 1.00 0.00 +ATOM 541 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 542 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 543 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 544 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 545 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 546 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 547 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 548 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 549 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 550 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 551 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 552 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 553 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 554 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 555 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 556 N N VAL A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 557 C CA VAL A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 558 C C VAL A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 559 O O VAL A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 560 C CB VAL A 74 -29.464 8.039 16.242 1.00 0.00 +ATOM 561 C CG2 VAL A 74 -29.038 9.302 17.031 1.00 0.00 +ATOM 562 C CG1 VAL A 74 -29.080 8.210 14.759 1.00 0.00 +ATOM 563 N N ARG A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 564 C CA ARG A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 565 C C ARG A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 566 O O ARG A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 567 C CB ARG A 75 -26.350 4.137 13.760 1.00 0.00 +ATOM 568 C CG ARG A 75 -27.774 3.567 13.835 1.00 0.00 +ATOM 569 C CD ARG A 75 -28.454 3.596 12.446 1.00 0.00 +ATOM 570 N NE ARG A 75 -28.210 4.882 11.781 1.00 0.00 +ATOM 571 C CZ ARG A 75 -27.216 4.609 10.632 1.00 0.00 +ATOM 572 N NH1 ARG A 75 -27.430 5.120 9.481 1.00 0.00 +ATOM 573 N NH2 ARG A 75 -25.926 3.963 10.909 1.00 0.00 +ATOM 574 N N ALA A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 575 C CA ALA A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 576 C C ALA A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 577 O O ALA A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 578 C CB ALA A 76 -27.903 9.244 11.622 1.00 0.00 +ATOM 579 N N VAL A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 580 C CA VAL A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 581 C C VAL A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 582 O O VAL A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 583 C CB VAL A 77 -25.478 13.129 12.662 1.00 0.00 +ATOM 584 C CG2 VAL A 77 -26.472 12.416 13.613 1.00 0.00 +ATOM 585 C CG1 VAL A 77 -24.579 14.076 13.482 1.00 0.00 +ATOM 586 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 587 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 588 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 589 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 590 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 591 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 592 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 593 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 594 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 595 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 596 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 597 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 598 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 599 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 600 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 601 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 602 N N ALA A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 603 C CA ALA A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 604 C C ALA A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 605 O O ALA A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 606 C CB ALA A 80 -18.016 10.862 18.507 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo94_s20.cif b/soup/screen/mmcifs/denovo94_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..caa53bfe4f355f42d7827b35645b65231c2b648b --- /dev/null +++ b/soup/screen/mmcifs/denovo94_s20.cif @@ -0,0 +1,592 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N THR A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA THR A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C THR A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O THR A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB THR A 2 2.114 4.290 0.387 1.00 0.00 +ATOM 17 O OG1 THR A 2 2.533 3.289 1.333 1.00 0.00 +ATOM 18 C CG2 THR A 2 3.140 5.443 0.381 1.00 0.00 +ATOM 19 N N ALA A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA ALA A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C ALA A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O ALA A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB ALA A 3 4.749 4.285 -4.299 1.00 0.00 +ATOM 24 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 25 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 26 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 27 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 28 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 29 N N VAL A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 30 C CA VAL A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 31 C C VAL A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 32 O O VAL A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 33 C CB VAL A 5 3.622 6.232 -9.737 1.00 0.00 +ATOM 34 C CG2 VAL A 5 4.349 5.048 -9.051 1.00 0.00 +ATOM 35 C CG1 VAL A 5 2.572 5.682 -10.724 1.00 0.00 +ATOM 36 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 37 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 38 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 39 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 40 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 41 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 42 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 43 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 44 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 45 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 46 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 47 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 48 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 49 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 50 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 51 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 52 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 53 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 54 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 55 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 56 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 57 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 58 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 59 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 60 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 61 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 62 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 63 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 64 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 65 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 66 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 67 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 68 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 69 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 70 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 71 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 72 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 73 N N THR A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 74 C CA THR A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 75 C C THR A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 76 O O THR A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 77 C CB THR A 11 0.184 -1.936 6.428 1.00 0.00 +ATOM 78 O OG1 THR A 11 -0.926 -2.756 6.838 1.00 0.00 +ATOM 79 C CG2 THR A 11 1.464 -2.797 6.392 1.00 0.00 +ATOM 80 N N PRO A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 81 C CA PRO A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 82 C C PRO A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 83 O O PRO A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 84 C CB PRO A 12 1.309 -3.341 1.645 1.00 0.00 +ATOM 85 C CG PRO A 12 0.036 -2.533 1.991 1.00 0.00 +ATOM 86 C CD PRO A 12 -0.178 -1.504 0.875 1.00 0.00 +ATOM 87 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 88 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 89 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 90 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 91 N N PRO A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 92 C CA PRO A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 93 C C PRO A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 94 O O PRO A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 95 C CB PRO A 14 6.692 -0.871 4.755 1.00 0.00 +ATOM 96 C CG PRO A 14 6.129 -1.977 3.831 1.00 0.00 +ATOM 97 C CD PRO A 14 5.143 -1.316 2.862 1.00 0.00 +ATOM 98 N N PRO A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 99 C CA PRO A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 100 C C PRO A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 101 O O PRO A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 102 C CB PRO A 15 8.865 3.910 3.895 1.00 0.00 +ATOM 103 C CG PRO A 15 7.373 3.969 4.301 1.00 0.00 +ATOM 104 C CD PRO A 15 7.247 4.959 5.464 1.00 0.00 +ATOM 105 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 106 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 107 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 108 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 109 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 110 N N LYS A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 111 C CA LYS A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 112 C C LYS A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 113 O O LYS A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 114 C CB LYS A 17 10.896 -1.401 7.740 1.00 0.00 +ATOM 115 C CG LYS A 17 12.001 -1.138 6.679 1.00 0.00 +ATOM 116 C CD LYS A 17 11.762 0.211 5.984 1.00 0.00 +ATOM 117 C CE LYS A 17 13.038 1.071 6.093 1.00 0.00 +ATOM 118 N NZ LYS A 17 12.980 1.898 7.306 1.00 0.00 +ATOM 119 N N ALA A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 120 C CA ALA A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 121 C C ALA A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 122 O O ALA A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 123 C CB ALA A 18 13.337 -1.430 12.993 1.00 0.00 +ATOM 124 N N ARG A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 125 C CA ARG A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 126 C C ARG A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 127 O O ARG A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 128 C CB ARG A 19 16.160 -3.512 8.774 1.00 0.00 +ATOM 129 C CG ARG A 19 16.495 -2.122 9.334 1.00 0.00 +ATOM 130 C CD ARG A 19 17.528 -2.223 10.482 1.00 0.00 +ATOM 131 N NE ARG A 19 17.177 -3.320 11.393 1.00 0.00 +ATOM 132 C CZ ARG A 19 18.210 -4.442 11.159 1.00 0.00 +ATOM 133 N NH1 ARG A 19 18.742 -5.027 12.163 1.00 0.00 +ATOM 134 N NH2 ARG A 19 18.415 -4.989 9.811 1.00 0.00 +ATOM 135 N N THR A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA THR A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C THR A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O THR A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB THR A 20 15.927 -5.603 13.593 1.00 0.00 +ATOM 140 O OG1 THR A 20 15.979 -4.168 13.692 1.00 0.00 +ATOM 141 C CG2 THR A 20 15.781 -6.204 15.006 1.00 0.00 +ATOM 142 N N ASP A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 143 C CA ASP A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 144 C C ASP A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 145 O O ASP A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 146 C CB ASP A 21 11.755 -5.699 15.962 1.00 0.00 +ATOM 147 C CG ASP A 21 11.433 -4.840 14.778 1.00 0.00 +ATOM 148 O OD1 ASP A 21 12.321 -4.392 14.056 1.00 0.00 +ATOM 149 O OD2 ASP A 21 10.131 -4.202 14.696 1.00 0.00 +ATOM 150 N N LYS A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 151 C CA LYS A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 152 C C LYS A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 153 O O LYS A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 154 C CB LYS A 22 10.773 -10.154 12.799 1.00 0.00 +ATOM 155 C CG LYS A 22 10.360 -10.640 14.216 1.00 0.00 +ATOM 156 C CD LYS A 22 8.911 -10.229 14.520 1.00 0.00 +ATOM 157 C CE LYS A 22 8.103 -11.478 14.927 1.00 0.00 +ATOM 158 N NZ LYS A 22 7.485 -12.082 13.740 1.00 0.00 +ATOM 159 N N SER A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA SER A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C SER A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O SER A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB SER A 23 7.024 -6.171 13.762 1.00 0.00 +ATOM 164 O OG SER A 23 7.543 -6.200 12.420 1.00 0.00 +ATOM 165 N N VAL A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 166 C CA VAL A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 167 C C VAL A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 168 O O VAL A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 169 C CB VAL A 24 6.235 -11.613 12.887 1.00 0.00 +ATOM 170 C CG2 VAL A 24 7.723 -11.473 12.478 1.00 0.00 +ATOM 171 C CG1 VAL A 24 5.837 -13.103 12.859 1.00 0.00 +ATOM 172 N N LYS A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 173 C CA LYS A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 174 C C LYS A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 175 O O LYS A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 176 C CB LYS A 25 4.007 -12.792 18.357 1.00 0.00 +ATOM 177 C CG LYS A 25 2.764 -13.341 17.602 1.00 0.00 +ATOM 178 C CD LYS A 25 2.435 -12.447 16.397 1.00 0.00 +ATOM 179 C CE LYS A 25 2.370 -13.316 15.123 1.00 0.00 +ATOM 180 N NZ LYS A 25 3.692 -13.367 14.486 1.00 0.00 +ATOM 181 N N THR A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 182 C CA THR A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 183 C C THR A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 184 O O THR A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 185 C CB THR A 26 8.102 -16.655 17.498 1.00 0.00 +ATOM 186 O OG1 THR A 26 8.748 -15.763 18.425 1.00 0.00 +ATOM 187 C CG2 THR A 26 8.524 -18.105 17.813 1.00 0.00 +ATOM 188 N N THR A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 189 C CA THR A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 190 C C THR A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 191 O O THR A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 192 C CB THR A 27 4.750 -18.600 20.836 1.00 0.00 +ATOM 193 O OG1 THR A 27 4.063 -18.091 19.677 1.00 0.00 +ATOM 194 C CG2 THR A 27 4.022 -19.863 21.342 1.00 0.00 +ATOM 195 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 196 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 197 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 198 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 199 N N GLY A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 200 C CA GLY A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 201 C C GLY A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 202 O O GLY A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 203 N N GLU A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 204 C CA GLU A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 205 C C GLU A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 206 O O GLU A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 207 C CB GLU A 30 1.429 -19.246 22.777 1.00 0.00 +ATOM 208 C CG GLU A 30 2.805 -19.235 22.077 1.00 0.00 +ATOM 209 C CD GLU A 30 2.654 -18.765 20.619 1.00 0.00 +ATOM 210 O OE1 GLU A 30 2.357 -19.570 19.756 1.00 0.00 +ATOM 211 O OE2 GLU A 30 3.143 -17.479 20.238 1.00 0.00 +ATOM 212 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 213 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 214 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 215 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 216 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 217 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 218 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 219 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 220 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 221 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 222 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 223 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 224 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 225 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 226 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 227 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 228 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 229 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 230 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 231 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 232 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 237 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 238 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 239 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 244 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 245 N N ARG A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 246 C CA ARG A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 247 C C ARG A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 248 O O ARG A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 249 C CB ARG A 35 -2.677 -31.169 20.611 1.00 0.00 +ATOM 250 C CG ARG A 35 -3.778 -30.314 21.256 1.00 0.00 +ATOM 251 C CD ARG A 35 -5.163 -30.656 20.657 1.00 0.00 +ATOM 252 N NE ARG A 35 -5.078 -30.768 19.196 1.00 0.00 +ATOM 253 C CZ ARG A 35 -5.219 -32.266 18.853 1.00 0.00 +ATOM 254 N NH1 ARG A 35 -5.989 -32.624 17.899 1.00 0.00 +ATOM 255 N NH2 ARG A 35 -4.314 -33.251 19.462 1.00 0.00 +ATOM 256 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 257 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 258 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 259 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 260 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 261 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 262 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 263 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 264 N N ALA A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 265 C CA ALA A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 266 C C ALA A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 267 O O ALA A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 268 C CB ALA A 37 -4.864 -27.494 13.654 1.00 0.00 +ATOM 269 N N THR A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 270 C CA THR A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 271 C C THR A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 272 O O THR A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 273 C CB THR A 38 -5.281 -25.202 18.257 1.00 0.00 +ATOM 274 O OG1 THR A 38 -5.791 -26.546 18.193 1.00 0.00 +ATOM 275 C CG2 THR A 38 -5.467 -24.657 19.688 1.00 0.00 +ATOM 276 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 277 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 278 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 279 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 280 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 281 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 282 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 283 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 284 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 285 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 290 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 291 N N SER A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 292 C CA SER A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 293 C C SER A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 294 O O SER A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 295 C CB SER A 41 -3.134 -19.700 23.308 1.00 0.00 +ATOM 296 O OG SER A 41 -3.615 -18.519 22.643 1.00 0.00 +ATOM 297 N N SER A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 298 C CA SER A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 299 C C SER A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 300 O O SER A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 301 C CB SER A 42 -3.781 -20.730 18.399 1.00 0.00 +ATOM 302 O OG SER A 42 -3.330 -21.978 18.953 1.00 0.00 +ATOM 303 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 304 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 305 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 306 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 307 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 308 N N ARG A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 309 C CA ARG A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 310 C C ARG A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 311 O O ARG A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 312 C CB ARG A 44 -8.359 -17.302 22.668 1.00 0.00 +ATOM 313 C CG ARG A 44 -7.077 -17.212 21.828 1.00 0.00 +ATOM 314 C CD ARG A 44 -7.225 -16.158 20.706 1.00 0.00 +ATOM 315 N NE ARG A 44 -8.530 -16.290 20.046 1.00 0.00 +ATOM 316 C CZ ARG A 44 -9.378 -15.077 20.484 1.00 0.00 +ATOM 317 N NH1 ARG A 44 -10.052 -14.432 19.612 1.00 0.00 +ATOM 318 N NH2 ARG A 44 -9.590 -14.802 21.912 1.00 0.00 +ATOM 319 N N LYS A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 320 C CA LYS A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 321 C C LYS A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 322 O O LYS A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 323 C CB LYS A 45 -12.082 -15.440 20.466 1.00 0.00 +ATOM 324 C CG LYS A 45 -11.222 -14.169 20.716 1.00 0.00 +ATOM 325 C CD LYS A 45 -10.051 -14.494 21.656 1.00 0.00 +ATOM 326 C CE LYS A 45 -8.730 -14.061 20.988 1.00 0.00 +ATOM 327 N NZ LYS A 45 -8.173 -15.176 20.213 1.00 0.00 +ATOM 328 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 333 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 334 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 335 N N PRO A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 336 C CA PRO A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 337 C C PRO A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 338 O O PRO A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 339 C CB PRO A 47 -10.877 -11.676 14.338 1.00 0.00 +ATOM 340 C CG PRO A 47 -9.670 -12.583 14.677 1.00 0.00 +ATOM 341 C CD PRO A 47 -8.640 -12.427 13.554 1.00 0.00 +ATOM 342 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 343 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 344 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 345 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 346 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 347 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 348 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 349 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 350 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 351 N N LYS A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 352 C CA LYS A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 353 C C LYS A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 354 O O LYS A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 355 C CB LYS A 49 -11.328 -8.505 7.951 1.00 0.00 +ATOM 356 C CG LYS A 49 -11.219 -9.546 6.802 1.00 0.00 +ATOM 357 C CD LYS A 49 -11.604 -10.944 7.311 1.00 0.00 +ATOM 358 C CE LYS A 49 -12.713 -11.525 6.410 1.00 0.00 +ATOM 359 N NZ LYS A 49 -14.032 -11.170 6.949 1.00 0.00 +ATOM 360 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 361 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 362 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 363 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 364 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 365 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 366 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 367 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 368 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 369 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 370 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 371 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 372 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 373 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 374 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 379 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 380 N N GLY A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 381 C CA GLY A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 382 C C GLY A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 383 O O GLY A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 384 N N ASP A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 385 C CA ASP A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 386 C C ASP A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 387 O O ASP A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 388 C CB ASP A 54 -24.038 -1.017 4.283 1.00 0.00 +ATOM 389 C CG ASP A 54 -25.040 -2.093 4.569 1.00 0.00 +ATOM 390 O OD1 ASP A 54 -24.708 -3.145 5.111 1.00 0.00 +ATOM 391 O OD2 ASP A 54 -26.311 -2.085 3.867 1.00 0.00 +ATOM 392 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 393 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 394 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 395 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 396 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 397 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 398 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 399 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 400 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 401 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 402 N N SER A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 403 C CA SER A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 404 C C SER A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 405 O O SER A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 406 C CB SER A 57 -27.240 0.208 15.265 1.00 0.00 +ATOM 407 O OG SER A 57 -27.258 1.634 15.453 1.00 0.00 +ATOM 408 N N SER A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 409 C CA SER A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 410 C C SER A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 411 O O SER A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 412 C CB SER A 58 -31.832 -0.506 14.231 1.00 0.00 +ATOM 413 O OG SER A 58 -31.151 -1.078 15.362 1.00 0.00 +ATOM 414 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 415 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 416 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 417 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 418 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 419 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 420 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 421 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 422 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 423 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 424 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 425 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 426 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 427 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 428 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 429 N N ALA A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 430 C CA ALA A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 431 C C ALA A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 432 O O ALA A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 433 C CB ALA A 61 -34.016 9.647 19.132 1.00 0.00 +ATOM 434 N N THR A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 435 C CA THR A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 436 C C THR A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 437 O O THR A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 438 C CB THR A 62 -38.733 11.005 16.157 1.00 0.00 +ATOM 439 O OG1 THR A 62 -38.746 10.850 17.589 1.00 0.00 +ATOM 440 C CG2 THR A 62 -39.274 12.403 15.794 1.00 0.00 +ATOM 441 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 442 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 443 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 444 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 445 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 446 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 447 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 448 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 449 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 450 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 451 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 452 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 453 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 454 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 455 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 456 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 457 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 458 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 459 N N PRO A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 460 C CA PRO A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 461 C C PRO A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 462 O O PRO A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 463 C CB PRO A 65 -32.882 10.668 18.570 1.00 0.00 +ATOM 464 C CG PRO A 65 -33.520 11.082 17.222 1.00 0.00 +ATOM 465 C CD PRO A 65 -32.932 10.179 16.133 1.00 0.00 +ATOM 466 N N PRO A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 467 C CA PRO A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 468 C C PRO A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 469 O O PRO A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 470 C CB PRO A 66 -28.241 9.864 19.349 1.00 0.00 +ATOM 471 C CG PRO A 66 -29.451 9.732 18.393 1.00 0.00 +ATOM 472 C CD PRO A 66 -29.005 10.216 17.009 1.00 0.00 +ATOM 473 N N THR A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 474 C CA THR A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 475 C C THR A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 476 O O THR A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 477 C CB THR A 67 -28.350 15.556 19.106 1.00 0.00 +ATOM 478 O OG1 THR A 67 -29.538 15.367 19.896 1.00 0.00 +ATOM 479 C CG2 THR A 67 -27.671 16.878 19.520 1.00 0.00 +ATOM 480 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 481 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 482 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 483 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 484 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 485 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 486 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 487 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 488 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 489 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 490 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 491 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 492 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 493 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 494 N N GLU A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 495 C CA GLU A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 496 C C GLU A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 497 O O GLU A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 498 C CB GLU A 70 -23.692 10.810 26.430 1.00 0.00 +ATOM 499 C CG GLU A 70 -23.043 12.161 26.802 1.00 0.00 +ATOM 500 C CD GLU A 70 -24.115 13.263 26.869 1.00 0.00 +ATOM 501 O OE1 GLU A 70 -24.448 13.842 25.851 1.00 0.00 +ATOM 502 O OE2 GLU A 70 -24.494 13.803 28.136 1.00 0.00 +ATOM 503 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 504 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 505 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 506 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 507 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 508 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 509 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 510 N N LYS A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 511 C CA LYS A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 512 C C LYS A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 513 O O LYS A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 514 C CB LYS A 72 -26.652 9.840 20.943 1.00 0.00 +ATOM 515 C CG LYS A 72 -25.905 8.499 21.190 1.00 0.00 +ATOM 516 C CD LYS A 72 -25.279 8.488 22.593 1.00 0.00 +ATOM 517 C CE LYS A 72 -25.753 7.231 23.351 1.00 0.00 +ATOM 518 N NZ LYS A 72 -26.977 7.533 24.104 1.00 0.00 +ATOM 519 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 520 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 521 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 522 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 523 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 524 N N GLU A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 525 C CA GLU A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 526 C C GLU A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 527 O O GLU A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 528 C CB GLU A 74 -29.428 8.045 16.211 1.00 0.00 +ATOM 529 C CG GLU A 74 -29.339 9.258 17.162 1.00 0.00 +ATOM 530 C CD GLU A 74 -27.885 9.755 17.251 1.00 0.00 +ATOM 531 O OE1 GLU A 74 -27.118 9.234 18.041 1.00 0.00 +ATOM 532 O OE2 GLU A 74 -27.523 10.994 16.641 1.00 0.00 +ATOM 533 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 534 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 535 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 536 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 537 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 538 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 539 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 540 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 541 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 542 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 543 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 544 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 545 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 546 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 547 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 548 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 549 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 550 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 551 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 552 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 553 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 554 N N THR A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 555 C CA THR A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 556 C C THR A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 557 O O THR A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 558 C CB THR A 78 -20.035 13.461 12.636 1.00 0.00 +ATOM 559 O OG1 THR A 78 -20.740 14.701 12.441 1.00 0.00 +ATOM 560 C CG2 THR A 78 -18.942 13.662 13.706 1.00 0.00 +ATOM 561 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 562 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 563 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 564 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 565 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 566 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 567 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 568 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 569 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 570 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 571 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 572 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 573 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 574 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 575 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 576 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo95_s20.cif b/soup/screen/mmcifs/denovo95_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..f6be9031087891436ff2940368468353e97ac363 --- /dev/null +++ b/soup/screen/mmcifs/denovo95_s20.cif @@ -0,0 +1,594 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N THR A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA THR A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C THR A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O THR A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB THR A 1 2.030 -0.813 -1.189 1.00 0.00 +ATOM 6 O OG1 THR A 1 1.134 -0.721 -2.312 1.00 0.00 +ATOM 7 C CG2 THR A 1 3.434 -0.339 -1.621 1.00 0.00 +ATOM 8 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 9 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 10 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 11 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 12 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 13 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 14 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 15 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 16 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 17 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 18 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 19 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 20 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 21 N N PRO A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 22 C CA PRO A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 23 C C PRO A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 24 O O PRO A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 25 C CB PRO A 4 6.141 8.579 -5.793 1.00 0.00 +ATOM 26 C CG PRO A 4 6.989 7.303 -5.581 1.00 0.00 +ATOM 27 C CD PRO A 4 7.534 6.874 -6.948 1.00 0.00 +ATOM 28 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 29 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 30 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 31 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 32 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 33 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 34 N N SER A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA SER A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C SER A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O SER A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB SER A 6 -0.354 4.427 -7.308 1.00 0.00 +ATOM 39 O OG SER A 6 0.822 3.598 -7.320 1.00 0.00 +ATOM 40 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 41 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 42 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 43 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 44 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 45 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 46 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 47 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 48 N N PRO A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 49 C CA PRO A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 50 C C PRO A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 51 O O PRO A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 52 C CB PRO A 8 -0.636 0.613 -1.159 1.00 0.00 +ATOM 53 C CG PRO A 8 -0.356 -0.509 -2.187 1.00 0.00 +ATOM 54 C CD PRO A 8 -1.514 -0.519 -3.190 1.00 0.00 +ATOM 55 N N THR A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 56 C CA THR A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 57 C C THR A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 58 O O THR A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 59 C CB THR A 9 -4.845 1.503 1.487 1.00 0.00 +ATOM 60 O OG1 THR A 9 -4.996 0.750 0.270 1.00 0.00 +ATOM 61 C CG2 THR A 9 -5.743 0.886 2.580 1.00 0.00 +ATOM 62 N N THR A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 63 C CA THR A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 64 C C THR A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 65 O O THR A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 66 C CB THR A 10 -4.718 -2.664 3.797 1.00 0.00 +ATOM 67 O OG1 THR A 10 -4.892 -2.696 2.368 1.00 0.00 +ATOM 68 C CG2 THR A 10 -4.127 -4.010 4.266 1.00 0.00 +ATOM 69 N N ASP A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 70 C CA ASP A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 71 C C ASP A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 72 O O ASP A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 73 C CB ASP A 11 0.171 -2.023 6.430 1.00 0.00 +ATOM 74 C CG ASP A 11 -0.686 -3.243 6.566 1.00 0.00 +ATOM 75 O OD1 ASP A 11 -1.912 -3.158 6.610 1.00 0.00 +ATOM 76 O OD2 ASP A 11 -0.093 -4.480 7.040 1.00 0.00 +ATOM 77 N N GLU A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 78 C CA GLU A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 79 C C GLU A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 80 O O GLU A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 81 C CB GLU A 12 1.350 -3.428 1.623 1.00 0.00 +ATOM 82 C CG GLU A 12 0.073 -2.561 1.676 1.00 0.00 +ATOM 83 C CD GLU A 12 -1.022 -3.175 0.785 1.00 0.00 +ATOM 84 O OE1 GLU A 12 -1.044 -2.917 -0.404 1.00 0.00 +ATOM 85 O OE2 GLU A 12 -2.161 -3.789 1.389 1.00 0.00 +ATOM 86 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 87 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 88 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 89 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 90 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 91 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 92 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 93 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 94 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 95 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 96 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 97 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 98 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 99 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 100 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 101 N N THR A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 102 C CA THR A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 103 C C THR A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 104 O O THR A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 105 C CB THR A 15 8.894 3.899 3.807 1.00 0.00 +ATOM 106 O OG1 THR A 15 7.734 4.264 4.577 1.00 0.00 +ATOM 107 C CG2 THR A 15 10.002 4.949 4.032 1.00 0.00 +ATOM 108 N N ALA A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 109 C CA ALA A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 110 C C ALA A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 111 O O ALA A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 112 C CB ALA A 16 10.240 3.817 8.779 1.00 0.00 +ATOM 113 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 114 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 115 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 116 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 117 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 118 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 119 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 120 N N SER A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 121 C CA SER A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 122 C C SER A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 123 O O SER A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 124 C CB SER A 18 13.366 -1.394 13.001 1.00 0.00 +ATOM 125 O OG SER A 18 12.254 -2.299 13.118 1.00 0.00 +ATOM 126 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 127 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 128 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 129 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 130 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 131 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 132 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 133 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 134 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 135 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 136 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 137 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 138 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 139 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 140 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 141 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 142 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 143 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 144 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 145 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 146 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 147 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 148 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 149 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 150 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 151 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 152 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 153 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 154 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 155 N N GLY A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 156 C CA GLY A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 157 C C GLY A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 158 O O GLY A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 159 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 160 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 161 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 162 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 163 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 164 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 165 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 166 N N LYS A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 167 C CA LYS A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 168 C C LYS A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 169 O O LYS A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 170 C CB LYS A 24 6.193 -11.590 12.886 1.00 0.00 +ATOM 171 C CG LYS A 24 7.586 -12.269 12.756 1.00 0.00 +ATOM 172 C CD LYS A 24 8.702 -11.216 12.836 1.00 0.00 +ATOM 173 C CE LYS A 24 9.700 -11.618 13.940 1.00 0.00 +ATOM 174 N NZ LYS A 24 9.299 -11.018 15.219 1.00 0.00 +ATOM 175 N N GLY A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 176 C CA GLY A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 177 C C GLY A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 178 O O GLY A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 179 N N ALA A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 180 C CA ALA A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 181 C C ALA A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 182 O O ALA A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 183 C CB ALA A 26 8.103 -16.649 17.592 1.00 0.00 +ATOM 184 N N PRO A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 185 C CA PRO A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 186 C C PRO A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 187 O O PRO A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 188 C CB PRO A 27 4.728 -18.621 20.748 1.00 0.00 +ATOM 189 C CG PRO A 27 4.263 -17.588 19.695 1.00 0.00 +ATOM 190 C CD PRO A 27 3.233 -18.276 18.793 1.00 0.00 +ATOM 191 N N GLU A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 192 C CA GLU A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 193 C C GLU A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 194 O O GLU A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 195 C CB GLU A 28 6.915 -23.162 20.056 1.00 0.00 +ATOM 196 C CG GLU A 28 7.770 -22.278 20.989 1.00 0.00 +ATOM 197 C CD GLU A 28 7.283 -22.416 22.443 1.00 0.00 +ATOM 198 O OE1 GLU A 28 6.360 -21.727 22.837 1.00 0.00 +ATOM 199 O OE2 GLU A 28 8.087 -23.116 23.392 1.00 0.00 +ATOM 200 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 205 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 206 N N SER A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 207 C CA SER A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 208 C C SER A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 209 O O SER A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 210 C CB SER A 30 1.447 -19.264 22.737 1.00 0.00 +ATOM 211 O OG SER A 30 2.464 -19.021 21.748 1.00 0.00 +ATOM 212 N N GLU A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 213 C CA GLU A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 214 C C GLU A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 215 O O GLU A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 216 C CB GLU A 31 -2.557 -19.754 19.279 1.00 0.00 +ATOM 217 C CG GLU A 31 -1.187 -20.361 18.910 1.00 0.00 +ATOM 218 C CD GLU A 31 -1.301 -21.890 18.781 1.00 0.00 +ATOM 219 O OE1 GLU A 31 -1.204 -22.587 19.775 1.00 0.00 +ATOM 220 O OE2 GLU A 31 -1.221 -22.497 17.491 1.00 0.00 +ATOM 221 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 222 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 223 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 224 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 225 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 226 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 227 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 228 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 229 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 230 N N VAL A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 231 C CA VAL A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 232 C C VAL A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 233 O O VAL A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 234 C CB VAL A 33 -5.767 -27.416 23.530 1.00 0.00 +ATOM 235 C CG2 VAL A 33 -7.110 -26.976 22.896 1.00 0.00 +ATOM 236 C CG1 VAL A 33 -5.450 -28.863 23.101 1.00 0.00 +ATOM 237 N N PRO A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 238 C CA PRO A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 239 C C PRO A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 240 O O PRO A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 241 C CB PRO A 34 -0.634 -25.828 20.446 1.00 0.00 +ATOM 242 C CG PRO A 34 -0.584 -25.058 21.787 1.00 0.00 +ATOM 243 C CD PRO A 34 -1.878 -25.364 22.548 1.00 0.00 +ATOM 244 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 245 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 246 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 247 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 248 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 249 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 250 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 251 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 252 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 253 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 254 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 255 N N SER A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 256 C CA SER A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 257 C C SER A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 258 O O SER A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 259 C CB SER A 37 -4.836 -27.474 13.623 1.00 0.00 +ATOM 260 O OG SER A 37 -5.782 -28.372 14.229 1.00 0.00 +ATOM 261 N N PRO A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 262 C CA PRO A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 263 C C PRO A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 264 O O PRO A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 265 C CB PRO A 38 -5.267 -25.287 18.290 1.00 0.00 +ATOM 266 C CG PRO A 38 -5.852 -26.571 17.655 1.00 0.00 +ATOM 267 C CD PRO A 38 -4.787 -27.153 16.720 1.00 0.00 +ATOM 268 N N THR A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 269 C CA THR A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 270 C C THR A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 271 O O THR A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 272 C CB THR A 39 0.365 -25.951 19.664 1.00 0.00 +ATOM 273 O OG1 THR A 39 0.186 -24.757 18.881 1.00 0.00 +ATOM 274 C CG2 THR A 39 1.174 -25.610 20.933 1.00 0.00 +ATOM 275 N N ASP A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 276 C CA ASP A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 277 C C ASP A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 278 O O ASP A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 279 C CB ASP A 40 -1.560 -24.087 23.631 1.00 0.00 +ATOM 280 C CG ASP A 40 -2.099 -23.316 24.796 1.00 0.00 +ATOM 281 O OD1 ASP A 40 -2.519 -22.169 24.661 1.00 0.00 +ATOM 282 O OD2 ASP A 40 -1.774 -23.745 26.144 1.00 0.00 +ATOM 283 N N ARG A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 284 C CA ARG A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 285 C C ARG A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 286 O O ARG A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 287 C CB ARG A 41 -3.128 -19.669 23.314 1.00 0.00 +ATOM 288 C CG ARG A 41 -1.693 -20.203 23.194 1.00 0.00 +ATOM 289 C CD ARG A 41 -0.761 -19.515 24.219 1.00 0.00 +ATOM 290 N NE ARG A 41 -1.009 -18.069 24.249 1.00 0.00 +ATOM 291 C CZ ARG A 41 -1.721 -17.764 25.583 1.00 0.00 +ATOM 292 N NH1 ARG A 41 -1.343 -16.767 26.286 1.00 0.00 +ATOM 293 N NH2 ARG A 41 -2.962 -18.469 25.935 1.00 0.00 +ATOM 294 N N LYS A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 295 C CA LYS A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 296 C C LYS A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 297 O O LYS A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 298 C CB LYS A 42 -3.739 -20.632 18.373 1.00 0.00 +ATOM 299 C CG LYS A 42 -3.775 -22.184 18.461 1.00 0.00 +ATOM 300 C CD LYS A 42 -5.224 -22.688 18.396 1.00 0.00 +ATOM 301 C CE LYS A 42 -5.349 -23.729 17.265 1.00 0.00 +ATOM 302 N NZ LYS A 42 -5.723 -23.061 16.011 1.00 0.00 +ATOM 303 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 304 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 305 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 306 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 307 N N LYS A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 308 C CA LYS A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 309 C C LYS A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 310 O O LYS A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 311 C CB LYS A 44 -8.360 -17.376 22.746 1.00 0.00 +ATOM 312 C CG LYS A 44 -7.880 -16.428 21.610 1.00 0.00 +ATOM 313 C CD LYS A 44 -6.939 -17.176 20.654 1.00 0.00 +ATOM 314 C CE LYS A 44 -7.465 -17.035 19.211 1.00 0.00 +ATOM 315 N NZ LYS A 44 -8.367 -18.152 18.897 1.00 0.00 +ATOM 316 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 317 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 318 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 319 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 320 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 321 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 322 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 323 N N VAL A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 324 C CA VAL A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 325 C C VAL A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 326 O O VAL A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 327 C CB VAL A 46 -11.740 -16.725 14.856 1.00 0.00 +ATOM 328 C CG2 VAL A 46 -13.124 -17.261 15.297 1.00 0.00 +ATOM 329 C CG1 VAL A 46 -11.882 -15.996 13.505 1.00 0.00 +ATOM 330 N N ASP A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 331 C CA ASP A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 332 C C ASP A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 333 O O ASP A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 334 C CB ASP A 47 -10.866 -11.627 14.339 1.00 0.00 +ATOM 335 C CG ASP A 47 -9.645 -12.132 13.633 1.00 0.00 +ATOM 336 O OD1 ASP A 47 -9.132 -13.206 13.937 1.00 0.00 +ATOM 337 O OD2 ASP A 47 -8.828 -11.202 12.873 1.00 0.00 +ATOM 338 N N GLY A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 339 C CA GLY A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 340 C C GLY A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 341 O O GLY A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 342 N N PRO A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 343 C CA PRO A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 344 C C PRO A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 345 O O PRO A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 346 C CB PRO A 49 -11.370 -8.616 7.856 1.00 0.00 +ATOM 347 C CG PRO A 49 -11.111 -10.126 8.071 1.00 0.00 +ATOM 348 C CD PRO A 49 -10.984 -10.777 6.689 1.00 0.00 +ATOM 349 N N VAL A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 350 C CA VAL A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 351 C C VAL A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 352 O O VAL A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 353 C CB VAL A 50 -16.415 -6.800 6.304 1.00 0.00 +ATOM 354 C CG2 VAL A 50 -16.793 -7.179 7.757 1.00 0.00 +ATOM 355 C CG1 VAL A 50 -17.519 -5.905 5.705 1.00 0.00 +ATOM 356 N N PRO A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 357 C CA PRO A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 358 C C PRO A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 359 O O PRO A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 360 C CB PRO A 51 -17.207 -2.157 4.921 1.00 0.00 +ATOM 361 C CG PRO A 51 -17.484 -3.416 4.065 1.00 0.00 +ATOM 362 C CD PRO A 51 -18.999 -3.509 3.852 1.00 0.00 +ATOM 363 N N GLY A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 364 C CA GLY A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 365 C C GLY A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 366 O O GLY A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 367 N N ARG A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 368 C CA ARG A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 369 C C ARG A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 370 O O ARG A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 371 C CB ARG A 53 -23.366 -3.183 9.731 1.00 0.00 +ATOM 372 C CG ARG A 53 -22.640 -2.771 11.019 1.00 0.00 +ATOM 373 C CD ARG A 53 -22.862 -3.817 12.137 1.00 0.00 +ATOM 374 N NE ARG A 53 -24.270 -4.227 12.185 1.00 0.00 +ATOM 375 C CZ ARG A 53 -24.335 -5.669 11.639 1.00 0.00 +ATOM 376 N NH1 ARG A 53 -25.031 -6.545 12.255 1.00 0.00 +ATOM 377 N NH2 ARG A 53 -23.792 -5.980 10.310 1.00 0.00 +ATOM 378 N N ARG A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 379 C CA ARG A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 380 C C ARG A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 381 O O ARG A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 382 C CB ARG A 54 -24.013 -0.981 4.278 1.00 0.00 +ATOM 383 C CG ARG A 54 -24.268 -2.494 4.338 1.00 0.00 +ATOM 384 C CD ARG A 54 -25.753 -2.792 4.655 1.00 0.00 +ATOM 385 N NE ARG A 54 -26.232 -1.920 5.735 1.00 0.00 +ATOM 386 C CZ ARG A 54 -27.190 -0.896 5.091 1.00 0.00 +ATOM 387 N NH1 ARG A 54 -28.306 -0.637 5.655 1.00 0.00 +ATOM 388 N NH2 ARG A 54 -26.733 -0.061 3.971 1.00 0.00 +ATOM 389 N N THR A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 390 C CA THR A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 391 C C THR A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 392 O O THR A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 393 C CB THR A 55 -26.754 0.159 8.629 1.00 0.00 +ATOM 394 O OG1 THR A 55 -26.541 -1.259 8.500 1.00 0.00 +ATOM 395 C CG2 THR A 55 -27.533 0.438 9.931 1.00 0.00 +ATOM 396 N N ASP A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 397 C CA ASP A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 398 C C ASP A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 399 O O ASP A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 400 C CB ASP A 56 -25.499 3.722 12.558 1.00 0.00 +ATOM 401 C CG ASP A 56 -26.972 3.885 12.347 1.00 0.00 +ATOM 402 O OD1 ASP A 56 -27.466 3.817 11.224 1.00 0.00 +ATOM 403 O OD2 ASP A 56 -27.774 4.511 13.383 1.00 0.00 +ATOM 404 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 405 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 406 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 407 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 408 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 409 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 410 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 411 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 412 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 413 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 414 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 415 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 416 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 417 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 418 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 419 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 420 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 421 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 422 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 423 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 424 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 425 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 426 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 427 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 428 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 429 N N SER A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 430 C CA SER A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 431 C C SER A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 432 O O SER A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 433 C CB SER A 60 -33.488 6.595 15.253 1.00 0.00 +ATOM 434 O OG SER A 60 -34.647 5.743 15.224 1.00 0.00 +ATOM 435 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 436 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 437 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 438 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 439 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 440 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 441 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 442 N N GLY A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 443 C CA GLY A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 444 C C GLY A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 445 O O GLY A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 446 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 447 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 448 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 449 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 450 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 451 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 452 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 453 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 454 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 455 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 456 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 457 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 458 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 459 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 460 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 461 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 462 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 463 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 464 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 465 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 466 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 467 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 468 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 469 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 470 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 471 N N VAL A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 472 C CA VAL A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 473 C C VAL A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 474 O O VAL A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 475 C CB VAL A 66 -28.212 9.795 19.425 1.00 0.00 +ATOM 476 C CG2 VAL A 66 -28.998 9.927 18.098 1.00 0.00 +ATOM 477 C CG1 VAL A 66 -26.699 9.821 19.126 1.00 0.00 +ATOM 478 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 479 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 480 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 481 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 482 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 483 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 484 N N THR A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 485 C CA THR A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 486 C C THR A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 487 O O THR A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 488 C CB THR A 68 -26.530 16.458 23.517 1.00 0.00 +ATOM 489 O OG1 THR A 68 -27.846 15.875 23.562 1.00 0.00 +ATOM 490 C CG2 THR A 68 -25.818 16.205 24.862 1.00 0.00 +ATOM 491 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 492 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 493 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 494 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 495 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 496 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 497 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 498 N N GLY A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 499 C CA GLY A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 500 C C GLY A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 501 O O GLY A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 502 N N PRO A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 503 C CA PRO A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 504 C C PRO A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 505 O O PRO A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 506 C CB PRO A 71 -28.302 11.544 26.222 1.00 0.00 +ATOM 507 C CG PRO A 71 -27.067 12.459 26.390 1.00 0.00 +ATOM 508 C CD PRO A 71 -27.224 13.635 25.420 1.00 0.00 +ATOM 509 N N GLY A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 510 C CA GLY A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 511 C C GLY A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 512 O O GLY A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 513 N N LYS A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 514 C CA LYS A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 515 C C LYS A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 516 O O LYS A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 517 C CB LYS A 73 -30.683 6.789 21.481 1.00 0.00 +ATOM 518 C CG LYS A 73 -31.628 7.927 21.004 1.00 0.00 +ATOM 519 C CD LYS A 73 -31.914 7.789 19.502 1.00 0.00 +ATOM 520 C CE LYS A 73 -33.440 7.762 19.276 1.00 0.00 +ATOM 521 N NZ LYS A 73 -33.925 6.376 19.305 1.00 0.00 +ATOM 522 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 523 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 524 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 525 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 526 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 527 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 528 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 529 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 530 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 531 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 532 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 533 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 534 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 535 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 536 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 537 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 538 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 539 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 540 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 541 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 542 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 543 N N PRO A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 544 C CA PRO A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 545 C C PRO A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 546 O O PRO A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 547 C CB PRO A 77 -25.486 13.051 12.737 1.00 0.00 +ATOM 548 C CG PRO A 77 -26.771 12.289 13.139 1.00 0.00 +ATOM 549 C CD PRO A 77 -26.749 12.113 14.662 1.00 0.00 +ATOM 550 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 551 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 552 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 553 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 554 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 555 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 556 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 557 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 558 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 559 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 560 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 561 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 562 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 563 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 564 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 565 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 566 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 567 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 568 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 569 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 570 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 571 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 572 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 573 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 574 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 575 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 576 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 577 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 578 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo96_s20.cif b/soup/screen/mmcifs/denovo96_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..317d57abadcaa692ed1fe8b927e4f0dafad7df4a --- /dev/null +++ b/soup/screen/mmcifs/denovo96_s20.cif @@ -0,0 +1,593 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ASP A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ASP A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ASP A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ASP A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ASP A 1 2.034 -0.770 -1.266 1.00 0.00 +ATOM 6 C CG ASP A 1 1.428 -0.236 -2.527 1.00 0.00 +ATOM 7 O OD1 ASP A 1 0.219 -0.309 -2.732 1.00 0.00 +ATOM 8 O OD2 ASP A 1 2.280 0.008 -3.677 1.00 0.00 +ATOM 9 N N GLY A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 10 C CA GLY A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 11 C C GLY A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 12 O O GLY A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 13 N N VAL A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA VAL A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C VAL A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O VAL A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB VAL A 3 4.835 4.233 -4.261 1.00 0.00 +ATOM 18 C CG2 VAL A 3 3.423 3.868 -4.783 1.00 0.00 +ATOM 19 C CG1 VAL A 3 5.674 4.808 -5.420 1.00 0.00 +ATOM 20 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 25 N N SER A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA SER A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C SER A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O SER A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB SER A 5 3.592 6.189 -9.698 1.00 0.00 +ATOM 30 O OG SER A 5 4.138 5.050 -9.009 1.00 0.00 +ATOM 31 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 32 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 33 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 34 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 35 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 36 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 37 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 38 N N SER A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 39 C CA SER A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 40 C C SER A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 41 O O SER A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 42 C CB SER A 7 -1.548 5.262 -2.644 1.00 0.00 +ATOM 43 O OG SER A 7 -2.642 5.268 -3.578 1.00 0.00 +ATOM 44 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 45 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 46 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 47 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 48 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 49 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 50 N N ARG A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 51 C CA ARG A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 52 C C ARG A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 53 O O ARG A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 54 C CB ARG A 9 -4.869 1.454 1.501 1.00 0.00 +ATOM 55 C CG ARG A 9 -5.020 0.963 0.054 1.00 0.00 +ATOM 56 C CD ARG A 9 -5.334 -0.552 0.015 1.00 0.00 +ATOM 57 N NE ARG A 9 -4.472 -1.280 0.954 1.00 0.00 +ATOM 58 C CZ ARG A 9 -5.368 -1.727 2.128 1.00 0.00 +ATOM 59 N NH1 ARG A 9 -5.272 -2.920 2.574 1.00 0.00 +ATOM 60 N NH2 ARG A 9 -6.156 -0.736 2.874 1.00 0.00 +ATOM 61 N N GLU A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 62 C CA GLU A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 63 C C GLU A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 64 O O GLU A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 65 C CB GLU A 10 -4.686 -2.702 3.809 1.00 0.00 +ATOM 66 C CG GLU A 10 -5.194 -2.604 2.354 1.00 0.00 +ATOM 67 C CD GLU A 10 -4.039 -2.860 1.371 1.00 0.00 +ATOM 68 O OE1 GLU A 10 -3.308 -1.941 1.048 1.00 0.00 +ATOM 69 O OE2 GLU A 10 -4.006 -4.075 0.621 1.00 0.00 +ATOM 70 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 71 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 72 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 73 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 74 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 75 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 76 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 77 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 78 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 79 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 80 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 81 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 82 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 83 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 84 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 85 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 86 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 87 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 88 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 89 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 90 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 91 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 92 N N SER A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 93 C CA SER A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 94 C C SER A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 95 O O SER A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 96 C CB SER A 13 3.761 1.043 0.478 1.00 0.00 +ATOM 97 O OG SER A 13 2.762 1.519 1.396 1.00 0.00 +ATOM 98 N N ARG A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 99 C CA ARG A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 100 C C ARG A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 101 O O ARG A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 102 C CB ARG A 14 6.711 -0.859 4.824 1.00 0.00 +ATOM 103 C CG ARG A 14 6.412 -2.038 3.887 1.00 0.00 +ATOM 104 C CD ARG A 14 7.629 -2.348 2.983 1.00 0.00 +ATOM 105 N NE ARG A 14 8.200 -1.106 2.447 1.00 0.00 +ATOM 106 C CZ ARG A 14 9.544 -0.882 3.171 1.00 0.00 +ATOM 107 N NH1 ARG A 14 10.574 -0.544 2.496 1.00 0.00 +ATOM 108 N NH2 ARG A 14 9.593 -0.834 4.639 1.00 0.00 +ATOM 109 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 110 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 111 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 112 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 113 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 114 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 115 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 116 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 121 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 122 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 123 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 124 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 125 N N PRO A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA PRO A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C PRO A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O PRO A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB PRO A 17 11.007 -1.328 7.667 1.00 0.00 +ATOM 130 C CG PRO A 17 10.821 -0.433 6.419 1.00 0.00 +ATOM 131 C CD PRO A 17 10.564 0.997 6.908 1.00 0.00 +ATOM 132 N N VAL A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 133 C CA VAL A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 134 C C VAL A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 135 O O VAL A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 136 C CB VAL A 18 13.372 -1.334 13.024 1.00 0.00 +ATOM 137 C CG2 VAL A 18 12.100 -2.194 13.225 1.00 0.00 +ATOM 138 C CG1 VAL A 18 14.563 -2.012 13.732 1.00 0.00 +ATOM 139 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 140 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 141 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 142 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 143 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 144 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 145 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 146 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 147 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 148 N N GLY A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 149 C CA GLY A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 150 C C GLY A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 151 O O GLY A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 152 N N THR A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 153 C CA THR A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 154 C C THR A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 155 O O THR A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 156 C CB THR A 21 11.811 -5.737 16.018 1.00 0.00 +ATOM 157 O OG1 THR A 21 11.961 -4.693 15.038 1.00 0.00 +ATOM 158 C CG2 THR A 21 10.312 -5.920 16.337 1.00 0.00 +ATOM 159 N N ASP A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 160 C CA ASP A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 161 C C ASP A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 162 O O ASP A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 163 C CB ASP A 22 10.718 -10.190 12.927 1.00 0.00 +ATOM 164 C CG ASP A 22 10.608 -10.460 14.396 1.00 0.00 +ATOM 165 O OD1 ASP A 22 11.411 -9.981 15.193 1.00 0.00 +ATOM 166 O OD2 ASP A 22 9.815 -11.587 14.854 1.00 0.00 +ATOM 167 N N ALA A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 168 C CA ALA A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 169 C C ALA A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 170 O O ALA A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 171 C CB ALA A 23 7.036 -6.186 13.719 1.00 0.00 +ATOM 172 N N THR A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 173 C CA THR A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 174 C C THR A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 175 O O THR A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 176 C CB THR A 24 6.250 -11.607 12.893 1.00 0.00 +ATOM 177 O OG1 THR A 24 7.632 -11.441 12.528 1.00 0.00 +ATOM 178 C CG2 THR A 24 5.894 -13.108 12.862 1.00 0.00 +ATOM 179 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 180 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 181 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 182 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 183 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 184 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 185 N N GLY A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 186 C CA GLY A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 187 C C GLY A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 188 O O GLY A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 189 N N GLY A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 190 C CA GLY A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 191 C C GLY A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 192 O O GLY A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 193 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 194 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 195 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 196 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 197 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 198 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 199 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 200 N N ARG A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 201 C CA ARG A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 202 C C ARG A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 203 O O ARG A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 204 C CB ARG A 29 2.640 -24.848 22.077 1.00 0.00 +ATOM 205 C CG ARG A 29 4.134 -24.644 22.367 1.00 0.00 +ATOM 206 C CD ARG A 29 4.342 -23.947 23.731 1.00 0.00 +ATOM 207 N NE ARG A 29 3.403 -22.829 23.885 1.00 0.00 +ATOM 208 C CZ ARG A 29 2.359 -23.263 24.935 1.00 0.00 +ATOM 209 N NH1 ARG A 29 2.020 -22.450 25.860 1.00 0.00 +ATOM 210 N NH2 ARG A 29 1.596 -24.505 24.748 1.00 0.00 +ATOM 211 N N ALA A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 212 C CA ALA A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 213 C C ALA A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 214 O O ALA A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 215 C CB ALA A 30 1.468 -19.257 22.696 1.00 0.00 +ATOM 216 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 217 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 218 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 219 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 220 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 221 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 222 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 223 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 224 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 225 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 226 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 227 N N LYS A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 228 C CA LYS A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 229 C C LYS A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 230 O O LYS A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 231 C CB LYS A 32 -6.291 -22.693 21.119 1.00 0.00 +ATOM 232 C CG LYS A 32 -5.785 -23.073 19.699 1.00 0.00 +ATOM 233 C CD LYS A 32 -4.755 -22.046 19.207 1.00 0.00 +ATOM 234 C CE LYS A 32 -3.463 -22.780 18.793 1.00 0.00 +ATOM 235 N NZ LYS A 32 -2.550 -22.868 19.940 1.00 0.00 +ATOM 236 N N ALA A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 237 C CA ALA A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 238 C C ALA A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 239 O O ALA A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 240 C CB ALA A 33 -5.804 -27.397 23.432 1.00 0.00 +ATOM 241 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 242 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 243 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 244 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 245 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 246 N N ALA A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 247 C CA ALA A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 248 C C ALA A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 249 O O ALA A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 250 C CB ALA A 35 -2.716 -31.122 20.588 1.00 0.00 +ATOM 251 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 252 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 253 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 254 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 255 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 256 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 257 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 258 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 259 N N VAL A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 260 C CA VAL A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 261 C C VAL A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 262 O O VAL A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 263 C CB VAL A 37 -4.802 -27.481 13.567 1.00 0.00 +ATOM 264 C CG2 VAL A 37 -5.789 -28.547 14.105 1.00 0.00 +ATOM 265 C CG1 VAL A 37 -5.578 -26.190 13.235 1.00 0.00 +ATOM 266 N N ASP A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 267 C CA ASP A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 268 C C ASP A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 269 O O ASP A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 270 C CB ASP A 38 -5.300 -25.262 18.318 1.00 0.00 +ATOM 271 C CG ASP A 38 -5.628 -26.652 18.768 1.00 0.00 +ATOM 272 O OD1 ASP A 38 -5.601 -27.598 17.984 1.00 0.00 +ATOM 273 O OD2 ASP A 38 -6.355 -26.844 20.009 1.00 0.00 +ATOM 274 N N ARG A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 275 C CA ARG A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 276 C C ARG A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 277 O O ARG A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 278 C CB ARG A 39 0.376 -25.907 19.698 1.00 0.00 +ATOM 279 C CG ARG A 39 0.243 -24.846 18.597 1.00 0.00 +ATOM 280 C CD ARG A 39 1.469 -24.873 17.653 1.00 0.00 +ATOM 281 N NE ARG A 39 2.711 -24.979 18.428 1.00 0.00 +ATOM 282 C CZ ARG A 39 3.255 -26.406 18.208 1.00 0.00 +ATOM 283 N NH1 ARG A 39 4.497 -26.575 17.961 1.00 0.00 +ATOM 284 N NH2 ARG A 39 2.410 -27.571 18.500 1.00 0.00 +ATOM 285 N N LYS A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 286 C CA LYS A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 287 C C LYS A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 288 O O LYS A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 289 C CB LYS A 40 -1.649 -24.196 23.664 1.00 0.00 +ATOM 290 C CG LYS A 40 -2.302 -23.761 25.007 1.00 0.00 +ATOM 291 C CD LYS A 40 -2.857 -22.334 24.892 1.00 0.00 +ATOM 292 C CE LYS A 40 -4.345 -22.334 25.300 1.00 0.00 +ATOM 293 N NZ LYS A 40 -5.187 -22.556 24.118 1.00 0.00 +ATOM 294 N N THR A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 295 C CA THR A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 296 C C THR A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 297 O O THR A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 298 C CB THR A 41 -3.139 -19.697 23.362 1.00 0.00 +ATOM 299 O OG1 THR A 41 -3.533 -18.538 22.606 1.00 0.00 +ATOM 300 C CG2 THR A 41 -2.999 -19.308 24.849 1.00 0.00 +ATOM 301 N N ASP A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 302 C CA ASP A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 303 C C ASP A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 304 O O ASP A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 305 C CB ASP A 42 -3.761 -20.774 18.381 1.00 0.00 +ATOM 306 C CG ASP A 42 -3.620 -22.211 18.781 1.00 0.00 +ATOM 307 O OD1 ASP A 42 -3.057 -22.528 19.825 1.00 0.00 +ATOM 308 O OD2 ASP A 42 -3.783 -23.247 17.777 1.00 0.00 +ATOM 309 N N ALA A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 310 C CA ALA A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 311 C C ALA A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 312 O O ALA A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 313 C CB ALA A 43 -7.945 -23.081 20.978 1.00 0.00 +ATOM 314 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 315 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 316 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 317 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 318 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 319 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 320 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 321 N N VAL A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 322 C CA VAL A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 323 C C VAL A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 324 O O VAL A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 325 C CB VAL A 45 -12.054 -15.401 20.469 1.00 0.00 +ATOM 326 C CG2 VAL A 45 -11.086 -14.645 21.412 1.00 0.00 +ATOM 327 C CG1 VAL A 45 -12.735 -14.393 19.521 1.00 0.00 +ATOM 328 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 329 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 330 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 331 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 332 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 333 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 334 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 335 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 336 N N LYS A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 337 C CA LYS A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 338 C C LYS A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 339 O O LYS A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 340 C CB LYS A 47 -10.968 -11.610 14.439 1.00 0.00 +ATOM 341 C CG LYS A 47 -9.734 -11.808 13.514 1.00 0.00 +ATOM 342 C CD LYS A 47 -9.078 -13.170 13.786 1.00 0.00 +ATOM 343 C CE LYS A 47 -8.965 -13.953 12.461 1.00 0.00 +ATOM 344 N NZ LYS A 47 -10.163 -14.779 12.266 1.00 0.00 +ATOM 345 N N GLU A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 346 C CA GLU A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 347 C C GLU A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 348 O O GLU A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 349 C CB GLU A 48 -15.018 -11.050 10.787 1.00 0.00 +ATOM 350 C CG GLU A 48 -15.653 -10.795 12.171 1.00 0.00 +ATOM 351 C CD GLU A 48 -15.406 -9.340 12.607 1.00 0.00 +ATOM 352 O OE1 GLU A 48 -14.365 -9.048 13.167 1.00 0.00 +ATOM 353 O OE2 GLU A 48 -16.493 -8.415 12.628 1.00 0.00 +ATOM 354 N N ALA A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 355 C CA ALA A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 356 C C ALA A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 357 O O ALA A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 358 C CB ALA A 49 -11.373 -8.604 7.845 1.00 0.00 +ATOM 359 N N PRO A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 360 C CA PRO A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 361 C C PRO A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 362 O O PRO A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 363 C CB PRO A 50 -16.420 -6.762 6.404 1.00 0.00 +ATOM 364 C CG PRO A 50 -16.399 -7.594 7.708 1.00 0.00 +ATOM 365 C CD PRO A 50 -14.978 -7.528 8.278 1.00 0.00 +ATOM 366 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 367 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 368 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 369 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 370 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 371 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 372 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 373 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 374 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 375 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 376 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 377 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 378 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 379 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 380 N N PRO A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 381 C CA PRO A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 382 C C PRO A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 383 O O PRO A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 384 C CB PRO A 53 -23.312 -3.140 9.752 1.00 0.00 +ATOM 385 C CG PRO A 53 -22.372 -2.874 10.951 1.00 0.00 +ATOM 386 C CD PRO A 53 -22.957 -1.703 11.749 1.00 0.00 +ATOM 387 N N VAL A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 388 C CA VAL A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 389 C C VAL A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 390 O O VAL A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 391 C CB VAL A 54 -23.954 -0.974 4.268 1.00 0.00 +ATOM 392 C CG2 VAL A 54 -24.557 -2.392 4.419 1.00 0.00 +ATOM 393 C CG1 VAL A 54 -25.020 -0.026 3.683 1.00 0.00 +ATOM 394 N N PRO A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 395 C CA PRO A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 396 C C PRO A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 397 O O PRO A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 398 C CB PRO A 55 -26.710 0.088 8.669 1.00 0.00 +ATOM 399 C CG PRO A 55 -26.443 -1.265 7.967 1.00 0.00 +ATOM 400 C CD PRO A 55 -26.563 -2.369 9.023 1.00 0.00 +ATOM 401 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 402 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 403 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 404 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 405 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 406 N N VAL A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 407 C CA VAL A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 408 C C VAL A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 409 O O VAL A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 410 C CB VAL A 57 -27.192 0.165 15.277 1.00 0.00 +ATOM 411 C CG2 VAL A 57 -27.064 1.689 15.523 1.00 0.00 +ATOM 412 C CG1 VAL A 57 -28.284 -0.410 16.203 1.00 0.00 +ATOM 413 N N LYS A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 414 C CA LYS A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 415 C C LYS A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 416 O O LYS A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 417 C CB LYS A 58 -31.841 -0.524 14.123 1.00 0.00 +ATOM 418 C CG LYS A 58 -31.772 -0.913 15.627 1.00 0.00 +ATOM 419 C CD LYS A 58 -30.314 -1.146 16.051 1.00 0.00 +ATOM 420 C CE LYS A 58 -29.995 -0.265 17.276 1.00 0.00 +ATOM 421 N NZ LYS A 58 -29.462 1.031 16.833 1.00 0.00 +ATOM 422 N N THR A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 423 C CA THR A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 424 C C THR A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 425 O O THR A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 426 C CB THR A 59 -32.163 2.580 18.192 1.00 0.00 +ATOM 427 O OG1 THR A 59 -30.775 2.221 18.070 1.00 0.00 +ATOM 428 C CG2 THR A 59 -32.274 3.932 18.928 1.00 0.00 +ATOM 429 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 430 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 431 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 432 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 433 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 434 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 435 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 436 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 437 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 438 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 439 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 440 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 441 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 442 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 443 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 444 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 445 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 446 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 447 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 448 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 449 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 450 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 451 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 452 N N PRO A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 453 C CA PRO A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 454 C C PRO A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 455 O O PRO A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 456 C CB PRO A 63 -37.567 15.531 15.164 1.00 0.00 +ATOM 457 C CG PRO A 63 -38.839 14.829 15.696 1.00 0.00 +ATOM 458 C CD PRO A 63 -38.605 13.317 15.614 1.00 0.00 +ATOM 459 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 460 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 461 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 462 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 463 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 464 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 465 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 466 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 467 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 468 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 469 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 470 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 471 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 472 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 473 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 474 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 475 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 476 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 477 N N LYS A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 478 C CA LYS A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 479 C C LYS A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 480 O O LYS A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 481 C CB LYS A 66 -28.214 9.777 19.469 1.00 0.00 +ATOM 482 C CG LYS A 66 -28.212 10.238 17.985 1.00 0.00 +ATOM 483 C CD LYS A 66 -29.640 10.572 17.528 1.00 0.00 +ATOM 484 C CE LYS A 66 -29.666 12.001 16.949 1.00 0.00 +ATOM 485 N NZ LYS A 66 -29.981 12.965 18.011 1.00 0.00 +ATOM 486 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 487 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 488 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 489 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 490 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 491 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 492 N N VAL A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 493 C CA VAL A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 494 C C VAL A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 495 O O VAL A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 496 C CB VAL A 68 -26.521 16.470 23.525 1.00 0.00 +ATOM 497 C CG2 VAL A 68 -27.933 15.840 23.615 1.00 0.00 +ATOM 498 C CG1 VAL A 68 -25.777 16.246 24.858 1.00 0.00 +ATOM 499 N N PRO A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 500 C CA PRO A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 501 C C PRO A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 502 O O PRO A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 503 C CB PRO A 69 -21.849 13.657 23.078 1.00 0.00 +ATOM 504 C CG PRO A 69 -22.135 15.119 23.495 1.00 0.00 +ATOM 505 C CD PRO A 69 -22.311 15.143 25.017 1.00 0.00 +ATOM 506 N N VAL A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 507 C CA VAL A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 508 C C VAL A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 509 O O VAL A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 510 C CB VAL A 70 -23.647 10.807 26.414 1.00 0.00 +ATOM 511 C CG2 VAL A 70 -23.353 12.261 26.859 1.00 0.00 +ATOM 512 C CG1 VAL A 70 -24.700 10.189 27.355 1.00 0.00 +ATOM 513 N N GLY A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 514 C CA GLY A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 515 C C GLY A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 516 O O GLY A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 517 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 518 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 519 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 520 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 521 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 522 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 523 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 524 N N GLY A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 525 C CA GLY A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 526 C C GLY A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 527 O O GLY A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 528 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 529 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 530 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 531 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 532 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 533 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 534 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 535 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 536 N N ALA A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 537 C CA ALA A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 538 C C ALA A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 539 O O ALA A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 540 C CB ALA A 75 -26.409 4.165 13.752 1.00 0.00 +ATOM 541 N N SER A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 542 C CA SER A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 543 C C SER A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 544 O O SER A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 545 C CB SER A 76 -27.887 9.234 11.579 1.00 0.00 +ATOM 546 O OG SER A 76 -28.776 9.338 12.705 1.00 0.00 +ATOM 547 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 548 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 549 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 550 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 551 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 552 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 553 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 554 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 555 N N VAL A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 556 C CA VAL A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 557 C C VAL A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 558 O O VAL A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 559 C CB VAL A 78 -20.020 13.454 12.634 1.00 0.00 +ATOM 560 C CG2 VAL A 78 -20.747 14.809 12.444 1.00 0.00 +ATOM 561 C CG1 VAL A 78 -18.909 13.616 13.692 1.00 0.00 +ATOM 562 N N THR A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 563 C CA THR A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 564 C C THR A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 565 O O THR A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 566 C CB THR A 79 -22.547 9.478 16.657 1.00 0.00 +ATOM 567 O OG1 THR A 79 -22.311 8.534 15.596 1.00 0.00 +ATOM 568 C CG2 THR A 79 -22.223 8.812 18.010 1.00 0.00 +ATOM 569 N N LYS A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 570 C CA LYS A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 571 C C LYS A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 572 O O LYS A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 573 C CB LYS A 80 -17.949 10.732 18.466 1.00 0.00 +ATOM 574 C CG LYS A 80 -18.180 12.263 18.601 1.00 0.00 +ATOM 575 C CD LYS A 80 -19.384 12.698 17.753 1.00 0.00 +ATOM 576 C CE LYS A 80 -20.385 13.461 18.646 1.00 0.00 +ATOM 577 N NZ LYS A 80 -21.362 12.524 19.215 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo97_s20.cif b/soup/screen/mmcifs/denovo97_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..c39eee6266df326e0a69f250cd83035ff54c7a4c --- /dev/null +++ b/soup/screen/mmcifs/denovo97_s20.cif @@ -0,0 +1,621 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N LYS A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA LYS A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C LYS A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O LYS A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB LYS A 1 2.052 -0.845 -1.144 1.00 0.00 +ATOM 6 C CG LYS A 1 1.782 -0.202 -2.533 1.00 0.00 +ATOM 7 C CD LYS A 1 2.298 1.244 -2.560 1.00 0.00 +ATOM 8 C CE LYS A 1 3.255 1.420 -3.758 1.00 0.00 +ATOM 9 N NZ LYS A 1 4.634 1.134 -3.342 1.00 0.00 +ATOM 10 N N ARG A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 11 C CA ARG A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 12 C C ARG A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 13 O O ARG A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 14 C CB ARG A 2 2.169 4.300 0.398 1.00 0.00 +ATOM 15 C CG ARG A 2 2.278 3.217 1.481 1.00 0.00 +ATOM 16 C CD ARG A 2 3.758 2.920 1.818 1.00 0.00 +ATOM 17 N NE ARG A 2 4.553 2.814 0.588 1.00 0.00 +ATOM 18 C CZ ARG A 2 5.439 4.076 0.519 1.00 0.00 +ATOM 19 N NH1 ARG A 2 6.674 3.962 0.214 1.00 0.00 +ATOM 20 N NH2 ARG A 2 4.828 5.411 0.580 1.00 0.00 +ATOM 21 N N THR A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 22 C CA THR A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 23 C C THR A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 24 O O THR A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 25 C CB THR A 3 4.818 4.236 -4.258 1.00 0.00 +ATOM 26 O OG1 THR A 3 3.494 3.896 -4.707 1.00 0.00 +ATOM 27 C CG2 THR A 3 5.621 4.816 -5.442 1.00 0.00 +ATOM 28 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 29 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 30 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 31 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 32 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 33 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 34 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 35 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 36 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 37 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 38 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 39 N N ASP A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 40 C CA ASP A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 41 C C ASP A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 42 O O ASP A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 43 C CB ASP A 5 3.607 6.140 -9.710 1.00 0.00 +ATOM 44 C CG ASP A 5 3.814 4.804 -9.067 1.00 0.00 +ATOM 45 O OD1 ASP A 5 4.586 4.666 -8.121 1.00 0.00 +ATOM 46 O OD2 ASP A 5 3.428 3.602 -9.784 1.00 0.00 +ATOM 47 N N GLY A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 48 C CA GLY A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 49 C C GLY A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 50 O O GLY A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 51 N N LYS A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 52 C CA LYS A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 53 C C LYS A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 54 O O LYS A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 55 C CB LYS A 7 -1.471 5.331 -2.608 1.00 0.00 +ATOM 56 C CG LYS A 7 -2.898 4.899 -3.048 1.00 0.00 +ATOM 57 C CD LYS A 7 -3.073 5.098 -4.561 1.00 0.00 +ATOM 58 C CE LYS A 7 -3.540 3.773 -5.197 1.00 0.00 +ATOM 59 N NZ LYS A 7 -2.376 2.987 -5.625 1.00 0.00 +ATOM 60 N N GLY A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 61 C CA GLY A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 62 C C GLY A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 63 O O GLY A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 64 N N GLU A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 65 C CA GLU A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 66 C C GLU A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 67 O O GLU A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 68 C CB GLU A 9 -4.864 1.474 1.525 1.00 0.00 +ATOM 69 C CG GLU A 9 -5.058 0.989 0.072 1.00 0.00 +ATOM 70 C CD GLU A 9 -6.504 1.248 -0.385 1.00 0.00 +ATOM 71 O OE1 GLU A 9 -7.372 0.434 -0.126 1.00 0.00 +ATOM 72 O OE2 GLU A 9 -6.768 2.269 -1.348 1.00 0.00 +ATOM 73 N N GLY A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA GLY A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C GLY A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O GLY A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 78 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 79 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 80 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 81 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 82 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 83 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 84 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 85 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 86 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 87 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 88 N N ASP A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 89 C CA ASP A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 90 C C ASP A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 91 O O ASP A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 92 C CB ASP A 12 1.304 -3.370 1.604 1.00 0.00 +ATOM 93 C CG ASP A 12 0.637 -2.121 1.117 1.00 0.00 +ATOM 94 O OD1 ASP A 12 -0.058 -1.437 1.864 1.00 0.00 +ATOM 95 O OD2 ASP A 12 0.473 -1.914 -0.311 1.00 0.00 +ATOM 96 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 97 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 98 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 99 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 100 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 101 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 102 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 103 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 104 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 105 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 106 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 107 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 108 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 109 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 110 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 111 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 112 N N ARG A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 113 C CA ARG A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 114 C C ARG A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 115 O O ARG A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 116 C CB ARG A 16 10.281 3.859 8.808 1.00 0.00 +ATOM 117 C CG ARG A 16 8.754 3.870 8.650 1.00 0.00 +ATOM 118 C CD ARG A 16 8.108 2.707 9.439 1.00 0.00 +ATOM 119 N NE ARG A 16 8.861 1.464 9.229 1.00 0.00 +ATOM 120 C CZ ARG A 16 9.603 1.162 10.548 1.00 0.00 +ATOM 121 N NH1 ARG A 16 9.594 -0.025 11.018 1.00 0.00 +ATOM 122 N NH2 ARG A 16 10.497 2.168 11.138 1.00 0.00 +ATOM 123 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 124 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 125 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 126 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 127 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 128 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 129 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 130 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 131 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 132 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 133 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 134 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 135 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 136 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 137 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 138 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 139 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 140 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 141 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 142 N N LYS A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 143 C CA LYS A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 144 C C LYS A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 145 O O LYS A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 146 C CB LYS A 19 16.087 -3.515 8.697 1.00 0.00 +ATOM 147 C CG LYS A 19 17.127 -2.991 9.726 1.00 0.00 +ATOM 148 C CD LYS A 19 17.440 -4.076 10.768 1.00 0.00 +ATOM 149 C CE LYS A 19 18.965 -4.304 10.819 1.00 0.00 +ATOM 150 N NZ LYS A 19 19.344 -5.364 9.876 1.00 0.00 +ATOM 151 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 152 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 153 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 154 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 155 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 156 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 157 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 158 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 159 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 160 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 161 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 162 N N VAL A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 163 C CA VAL A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 164 C C VAL A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 165 O O VAL A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 166 C CB VAL A 21 11.805 -5.739 16.034 1.00 0.00 +ATOM 167 C CG2 VAL A 21 11.928 -4.603 14.988 1.00 0.00 +ATOM 168 C CG1 VAL A 21 10.318 -5.947 16.387 1.00 0.00 +ATOM 169 N N GLU A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 170 C CA GLU A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 171 C C GLU A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 172 O O GLU A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 173 C CB GLU A 22 10.710 -10.174 12.853 1.00 0.00 +ATOM 174 C CG GLU A 22 11.485 -10.466 14.156 1.00 0.00 +ATOM 175 C CD GLU A 22 11.927 -11.940 14.190 1.00 0.00 +ATOM 176 O OE1 GLU A 22 11.158 -12.790 14.600 1.00 0.00 +ATOM 177 O OE2 GLU A 22 13.307 -12.267 14.028 1.00 0.00 +ATOM 178 N N VAL A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 179 C CA VAL A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 180 C C VAL A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 181 O O VAL A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 182 C CB VAL A 23 7.035 -6.128 13.809 1.00 0.00 +ATOM 183 C CG2 VAL A 23 7.676 -6.033 12.402 1.00 0.00 +ATOM 184 C CG1 VAL A 23 5.504 -5.994 13.681 1.00 0.00 +ATOM 185 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 186 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 187 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 188 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 189 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 190 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 191 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 192 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 193 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 194 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 195 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 196 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 197 N N GLU A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 198 C CA GLU A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 199 C C GLU A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 200 O O GLU A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 201 C CB GLU A 26 8.105 -16.702 17.518 1.00 0.00 +ATOM 202 C CG GLU A 26 8.872 -15.559 18.218 1.00 0.00 +ATOM 203 C CD GLU A 26 8.707 -15.667 19.744 1.00 0.00 +ATOM 204 O OE1 GLU A 26 7.731 -15.175 20.280 1.00 0.00 +ATOM 205 O OE2 GLU A 26 9.817 -16.068 20.547 1.00 0.00 +ATOM 206 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 207 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 208 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 209 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 210 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 211 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 212 N N ASP A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 213 C CA ASP A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 214 C C ASP A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 215 O O ASP A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 216 C CB ASP A 28 6.945 -23.140 20.122 1.00 0.00 +ATOM 217 C CG ASP A 28 7.360 -22.876 21.537 1.00 0.00 +ATOM 218 O OD1 ASP A 28 7.493 -21.729 21.958 1.00 0.00 +ATOM 219 O OD2 ASP A 28 7.987 -23.938 22.303 1.00 0.00 +ATOM 220 N N ASP A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 221 C CA ASP A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 222 C C ASP A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 223 O O ASP A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 224 C CB ASP A 29 2.675 -24.835 22.101 1.00 0.00 +ATOM 225 C CG ASP A 29 3.685 -24.248 23.038 1.00 0.00 +ATOM 226 O OD1 ASP A 29 4.729 -23.752 22.619 1.00 0.00 +ATOM 227 O OD2 ASP A 29 3.642 -24.604 24.445 1.00 0.00 +ATOM 228 N N GLY A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 229 C CA GLY A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 230 C C GLY A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 231 O O GLY A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 232 N N ARG A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 233 C CA ARG A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 234 C C ARG A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 235 O O ARG A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 236 C CB ARG A 31 -2.537 -19.775 19.268 1.00 0.00 +ATOM 237 C CG ARG A 31 -1.172 -20.398 18.939 1.00 0.00 +ATOM 238 C CD ARG A 31 -0.355 -19.475 18.005 1.00 0.00 +ATOM 239 N NE ARG A 31 -1.205 -18.951 16.928 1.00 0.00 +ATOM 240 C CZ ARG A 31 -1.435 -17.455 17.229 1.00 0.00 +ATOM 241 N NH1 ARG A 31 -1.326 -16.599 16.286 1.00 0.00 +ATOM 242 N NH2 ARG A 31 -1.993 -17.039 18.523 1.00 0.00 +ATOM 243 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 244 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 245 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 246 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 247 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 248 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 249 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 250 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 251 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 252 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 253 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 254 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 255 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 256 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 257 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 258 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 259 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 260 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 261 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 262 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 263 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 264 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 265 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 266 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 267 N N LYS A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 268 C CA LYS A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 269 C C LYS A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 270 O O LYS A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 271 C CB LYS A 35 -2.577 -31.149 20.644 1.00 0.00 +ATOM 272 C CG LYS A 35 -4.129 -31.146 20.554 1.00 0.00 +ATOM 273 C CD LYS A 35 -4.672 -29.723 20.754 1.00 0.00 +ATOM 274 C CE LYS A 35 -5.582 -29.355 19.564 1.00 0.00 +ATOM 275 N NZ LYS A 35 -4.790 -28.704 18.513 1.00 0.00 +ATOM 276 N N SER A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 277 C CA SER A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 278 C C SER A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 279 O O SER A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 280 C CB SER A 36 -3.486 -31.541 15.668 1.00 0.00 +ATOM 281 O OG SER A 36 -4.433 -31.124 16.668 1.00 0.00 +ATOM 282 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 283 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 284 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 285 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 286 N N SER A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 287 C CA SER A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 288 C C SER A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 289 O O SER A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 290 C CB SER A 38 -5.262 -25.235 18.295 1.00 0.00 +ATOM 291 O OG SER A 38 -5.693 -26.606 18.365 1.00 0.00 +ATOM 292 N N LYS A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 293 C CA LYS A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 294 C C LYS A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 295 O O LYS A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 296 C CB LYS A 39 0.380 -26.009 19.666 1.00 0.00 +ATOM 297 C CG LYS A 39 0.382 -24.455 19.662 1.00 0.00 +ATOM 298 C CD LYS A 39 1.811 -23.924 19.475 1.00 0.00 +ATOM 299 C CE LYS A 39 1.838 -22.949 18.280 1.00 0.00 +ATOM 300 N NZ LYS A 39 2.149 -23.681 17.046 1.00 0.00 +ATOM 301 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 302 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 303 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 304 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 305 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 306 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 307 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 308 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 309 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 310 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 311 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 312 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 313 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 314 N N ARG A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 315 C CA ARG A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 316 C C ARG A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 317 O O ARG A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 318 C CB ARG A 42 -3.772 -20.733 18.368 1.00 0.00 +ATOM 319 C CG ARG A 42 -2.872 -21.782 19.036 1.00 0.00 +ATOM 320 C CD ARG A 42 -3.500 -23.192 18.938 1.00 0.00 +ATOM 321 N NE ARG A 42 -4.932 -23.140 19.258 1.00 0.00 +ATOM 322 C CZ ARG A 42 -5.694 -23.356 17.933 1.00 0.00 +ATOM 323 N NH1 ARG A 42 -6.686 -24.159 17.901 1.00 0.00 +ATOM 324 N NH2 ARG A 42 -5.430 -22.485 16.779 1.00 0.00 +ATOM 325 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 326 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 327 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 328 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 329 N N PRO A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 330 C CA PRO A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 331 C C PRO A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 332 O O PRO A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 333 C CB PRO A 44 -8.333 -17.326 22.605 1.00 0.00 +ATOM 334 C CG PRO A 44 -7.005 -17.498 21.830 1.00 0.00 +ATOM 335 C CD PRO A 44 -7.082 -18.824 21.066 1.00 0.00 +ATOM 336 N N ASP A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 337 C CA ASP A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 338 C C ASP A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 339 O O ASP A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 340 C CB ASP A 45 -11.999 -15.323 20.471 1.00 0.00 +ATOM 341 C CG ASP A 45 -10.984 -14.322 20.931 1.00 0.00 +ATOM 342 O OD1 ASP A 45 -10.103 -14.631 21.731 1.00 0.00 +ATOM 343 O OD2 ASP A 45 -11.254 -12.906 20.760 1.00 0.00 +ATOM 344 N N GLU A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 345 C CA GLU A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 346 C C GLU A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 347 O O GLU A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 348 C CB GLU A 46 -11.760 -16.689 14.833 1.00 0.00 +ATOM 349 C CG GLU A 46 -12.940 -17.527 15.370 1.00 0.00 +ATOM 350 C CD GLU A 46 -14.166 -16.626 15.607 1.00 0.00 +ATOM 351 O OE1 GLU A 46 -14.274 -16.022 16.659 1.00 0.00 +ATOM 352 O OE2 GLU A 46 -15.295 -16.729 14.741 1.00 0.00 +ATOM 353 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 354 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 355 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 356 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 357 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 358 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 359 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 360 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 361 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 362 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 363 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 364 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 365 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 366 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 367 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 368 N N VAL A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 369 C CA VAL A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 370 C C VAL A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 371 O O VAL A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 372 C CB VAL A 49 -11.329 -8.534 7.913 1.00 0.00 +ATOM 373 C CG2 VAL A 49 -11.107 -10.013 7.508 1.00 0.00 +ATOM 374 C CG1 VAL A 49 -10.989 -7.622 6.717 1.00 0.00 +ATOM 375 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 376 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 377 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 378 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 379 N N SER A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 380 C CA SER A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 381 C C SER A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 382 O O SER A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 383 C CB SER A 51 -17.181 -2.113 4.933 1.00 0.00 +ATOM 384 O OG SER A 51 -18.066 -3.091 4.359 1.00 0.00 +ATOM 385 N N ARG A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 386 C CA ARG A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 387 C C ARG A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 388 O O ARG A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 389 C CB ARG A 52 -18.800 -1.691 9.864 1.00 0.00 +ATOM 390 C CG ARG A 52 -20.240 -1.238 10.142 1.00 0.00 +ATOM 391 C CD ARG A 52 -20.575 -1.354 11.648 1.00 0.00 +ATOM 392 N NE ARG A 52 -20.087 -2.630 12.185 1.00 0.00 +ATOM 393 C CZ ARG A 52 -18.877 -2.303 13.085 1.00 0.00 +ATOM 394 N NH1 ARG A 52 -18.778 -2.856 14.232 1.00 0.00 +ATOM 395 N NH2 ARG A 52 -17.739 -1.547 12.545 1.00 0.00 +ATOM 396 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 397 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 398 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 399 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 400 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 401 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 402 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 403 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 404 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 405 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 406 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 407 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 408 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 409 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 410 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 411 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 412 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 413 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 414 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 415 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 416 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 417 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 418 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 419 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 420 N N THR A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 421 C CA THR A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 422 C C THR A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 423 O O THR A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 424 C CB THR A 56 -25.417 3.713 12.530 1.00 0.00 +ATOM 425 O OG1 THR A 56 -26.644 4.093 11.881 1.00 0.00 +ATOM 426 C CG2 THR A 56 -25.584 3.860 14.057 1.00 0.00 +ATOM 427 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 428 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 429 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 430 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 431 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 432 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 433 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 434 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 435 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 436 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 437 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 438 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 439 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 440 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 441 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 442 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 443 N N ALA A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 444 C CA ALA A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 445 C C ALA A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 446 O O ALA A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 447 C CB ALA A 59 -32.088 2.623 18.155 1.00 0.00 +ATOM 448 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 449 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 450 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 451 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 452 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 453 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 454 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 455 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 456 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 457 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 458 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 459 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 460 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 461 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 462 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 463 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 464 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 465 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 466 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 467 N N GLU A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 468 C CA GLU A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 469 C C GLU A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 470 O O GLU A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 471 C CB GLU A 62 -38.738 11.055 16.148 1.00 0.00 +ATOM 472 C CG GLU A 62 -38.900 10.575 17.606 1.00 0.00 +ATOM 473 C CD GLU A 62 -40.389 10.558 17.996 1.00 0.00 +ATOM 474 O OE1 GLU A 62 -40.916 11.578 18.402 1.00 0.00 +ATOM 475 O OE2 GLU A 62 -41.060 9.310 18.165 1.00 0.00 +ATOM 476 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 477 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 478 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 479 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 480 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 481 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 482 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 483 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 484 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 485 N N LYS A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 486 C CA LYS A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 487 C C LYS A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 488 O O LYS A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 489 C CB LYS A 64 -32.928 15.428 17.053 1.00 0.00 +ATOM 490 C CG LYS A 64 -33.989 15.354 18.187 1.00 0.00 +ATOM 491 C CD LYS A 64 -35.406 15.378 17.593 1.00 0.00 +ATOM 492 C CE LYS A 64 -36.196 14.160 18.115 1.00 0.00 +ATOM 493 N NZ LYS A 64 -36.032 13.028 17.194 1.00 0.00 +ATOM 494 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 495 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 496 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 497 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 498 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 499 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 500 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 501 N N ALA A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 502 C CA ALA A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 503 C C ALA A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 504 O O ALA A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 505 C CB ALA A 66 -28.226 9.870 19.350 1.00 0.00 +ATOM 506 N N GLU A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 507 C CA GLU A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 508 C C GLU A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 509 O O GLU A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 510 C CB GLU A 67 -28.322 15.592 19.129 1.00 0.00 +ATOM 511 C CG GLU A 67 -29.744 15.313 19.662 1.00 0.00 +ATOM 512 C CD GLU A 67 -29.731 15.252 21.200 1.00 0.00 +ATOM 513 O OE1 GLU A 67 -29.449 14.208 21.759 1.00 0.00 +ATOM 514 O OE2 GLU A 67 -30.328 16.308 21.952 1.00 0.00 +ATOM 515 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 516 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 517 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 518 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 519 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 520 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 521 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 522 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 523 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 524 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 525 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 526 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 527 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 528 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 529 N N PRO A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 530 C CA PRO A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 531 C C PRO A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 532 O O PRO A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 533 C CB PRO A 70 -23.686 10.907 26.414 1.00 0.00 +ATOM 534 C CG PRO A 70 -22.879 12.221 26.537 1.00 0.00 +ATOM 535 C CD PRO A 70 -22.722 12.803 25.127 1.00 0.00 +ATOM 536 N N ASP A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 537 C CA ASP A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 538 C C ASP A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 539 O O ASP A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 540 C CB ASP A 71 -28.345 11.565 26.236 1.00 0.00 +ATOM 541 C CG ASP A 71 -27.734 12.721 25.507 1.00 0.00 +ATOM 542 O OD1 ASP A 71 -26.525 12.934 25.550 1.00 0.00 +ATOM 543 O OD2 ASP A 71 -28.582 13.818 25.076 1.00 0.00 +ATOM 544 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 545 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 546 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 547 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 548 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 549 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 550 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 551 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 552 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 553 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 554 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 555 N N ASP A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 556 C CA ASP A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 557 C C ASP A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 558 O O ASP A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 559 C CB ASP A 74 -29.398 8.109 16.241 1.00 0.00 +ATOM 560 C CG ASP A 74 -28.576 9.284 16.669 1.00 0.00 +ATOM 561 O OD1 ASP A 74 -28.490 9.604 17.853 1.00 0.00 +ATOM 562 O OD2 ASP A 74 -28.199 10.284 15.686 1.00 0.00 +ATOM 563 N N PRO A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 564 C CA PRO A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 565 C C PRO A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 566 O O PRO A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 567 C CB PRO A 75 -26.418 4.161 13.764 1.00 0.00 +ATOM 568 C CG PRO A 75 -27.848 3.674 14.100 1.00 0.00 +ATOM 569 C CD PRO A 75 -28.559 4.803 14.853 1.00 0.00 +ATOM 570 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 571 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 572 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 573 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 574 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 575 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 576 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 577 N N LYS A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 578 C CA LYS A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 579 C C LYS A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 580 O O LYS A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 581 C CB LYS A 77 -25.473 13.144 12.617 1.00 0.00 +ATOM 582 C CG LYS A 77 -25.802 12.688 14.067 1.00 0.00 +ATOM 583 C CD LYS A 77 -26.736 11.468 14.043 1.00 0.00 +ATOM 584 C CE LYS A 77 -26.108 10.332 14.876 1.00 0.00 +ATOM 585 N NZ LYS A 77 -25.279 9.479 14.014 1.00 0.00 +ATOM 586 N N LYS A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 587 C CA LYS A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 588 C C LYS A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 589 O O LYS A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 590 C CB LYS A 78 -20.008 13.414 12.612 1.00 0.00 +ATOM 591 C CG LYS A 78 -20.364 14.805 13.207 1.00 0.00 +ATOM 592 C CD LYS A 78 -21.675 15.326 12.599 1.00 0.00 +ATOM 593 C CE LYS A 78 -22.656 15.680 13.735 1.00 0.00 +ATOM 594 N NZ LYS A 78 -23.488 14.514 14.058 1.00 0.00 +ATOM 595 N N PRO A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 596 C CA PRO A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 597 C C PRO A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 598 O O PRO A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 599 C CB PRO A 79 -22.480 9.429 16.616 1.00 0.00 +ATOM 600 C CG PRO A 79 -22.613 8.778 15.219 1.00 0.00 +ATOM 601 C CD PRO A 79 -22.034 9.758 14.192 1.00 0.00 +ATOM 602 N N GLY A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 603 C CA GLY A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 604 C C GLY A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 605 O O GLY A 80 -18.397 10.177 21.281 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo98_s20.cif b/soup/screen/mmcifs/denovo98_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..4af408025269dab92ec9cfb73ba6831060e36040 --- /dev/null +++ b/soup/screen/mmcifs/denovo98_s20.cif @@ -0,0 +1,599 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N VAL A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA VAL A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C VAL A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O VAL A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB VAL A 2 2.110 4.307 0.387 1.00 0.00 +ATOM 17 C CG2 VAL A 2 2.586 3.258 1.422 1.00 0.00 +ATOM 18 C CG1 VAL A 2 3.106 5.483 0.357 1.00 0.00 +ATOM 19 N N ASP A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 20 C CA ASP A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 21 C C ASP A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 22 O O ASP A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 23 C CB ASP A 3 4.771 4.259 -4.328 1.00 0.00 +ATOM 24 C CG ASP A 3 3.493 4.355 -5.104 1.00 0.00 +ATOM 25 O OD1 ASP A 3 2.419 4.032 -4.602 1.00 0.00 +ATOM 26 O OD2 ASP A 3 3.546 4.445 -6.552 1.00 0.00 +ATOM 27 N N LYS A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 28 C CA LYS A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 29 C C LYS A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 30 O O LYS A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 31 C CB LYS A 4 6.122 8.690 -5.691 1.00 0.00 +ATOM 32 C CG LYS A 4 6.789 7.882 -6.839 1.00 0.00 +ATOM 33 C CD LYS A 4 6.977 6.416 -6.420 1.00 0.00 +ATOM 34 C CE LYS A 4 6.327 5.498 -7.476 1.00 0.00 +ATOM 35 N NZ LYS A 4 4.930 5.228 -7.110 1.00 0.00 +ATOM 36 N N ARG A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 37 C CA ARG A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 38 C C ARG A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 39 O O ARG A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 40 C CB ARG A 5 3.593 6.179 -9.728 1.00 0.00 +ATOM 41 C CG ARG A 5 4.605 5.233 -9.065 1.00 0.00 +ATOM 42 C CD ARG A 5 3.955 3.867 -8.743 1.00 0.00 +ATOM 43 N NE ARG A 5 2.626 4.058 -8.149 1.00 0.00 +ATOM 44 C CZ ARG A 5 1.595 3.630 -9.214 1.00 0.00 +ATOM 45 N NH1 ARG A 5 0.609 2.891 -8.874 1.00 0.00 +ATOM 46 N NH2 ARG A 5 1.613 4.243 -10.549 1.00 0.00 +ATOM 47 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 48 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 49 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 50 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 51 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 52 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 53 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 54 N N ARG A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 55 C CA ARG A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 56 C C ARG A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 57 O O ARG A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 58 C CB ARG A 7 -1.562 5.275 -2.618 1.00 0.00 +ATOM 59 C CG ARG A 7 -2.515 5.732 -3.732 1.00 0.00 +ATOM 60 C CD ARG A 7 -3.757 4.812 -3.806 1.00 0.00 +ATOM 61 N NE ARG A 7 -3.360 3.403 -3.708 1.00 0.00 +ATOM 62 C CZ ARG A 7 -3.810 2.906 -2.318 1.00 0.00 +ATOM 63 N NH1 ARG A 7 -4.397 1.776 -2.213 1.00 0.00 +ATOM 64 N NH2 ARG A 7 -3.372 3.611 -1.105 1.00 0.00 +ATOM 65 N N VAL A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 66 C CA VAL A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 67 C C VAL A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 68 O O VAL A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 69 C CB VAL A 8 -0.650 0.535 -1.232 1.00 0.00 +ATOM 70 C CG2 VAL A 8 -0.025 -0.142 -2.477 1.00 0.00 +ATOM 71 C CG1 VAL A 8 0.410 1.424 -0.550 1.00 0.00 +ATOM 72 N N SER A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 73 C CA SER A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 74 C C SER A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 75 O O SER A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 76 C CB SER A 9 -4.838 1.450 1.493 1.00 0.00 +ATOM 77 O OG SER A 9 -4.974 0.567 0.365 1.00 0.00 +ATOM 78 N N ARG A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 79 C CA ARG A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 80 C C ARG A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 81 O O ARG A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 82 C CB ARG A 10 -4.686 -2.707 3.777 1.00 0.00 +ATOM 83 C CG ARG A 10 -5.168 -2.575 2.325 1.00 0.00 +ATOM 84 C CD ARG A 10 -4.260 -3.382 1.367 1.00 0.00 +ATOM 85 N NE ARG A 10 -2.846 -3.168 1.697 1.00 0.00 +ATOM 86 C CZ ARG A 10 -2.332 -4.476 2.334 1.00 0.00 +ATOM 87 N NH1 ARG A 10 -1.205 -4.954 1.968 1.00 0.00 +ATOM 88 N NH2 ARG A 10 -3.014 -5.045 3.504 1.00 0.00 +ATOM 89 N N LYS A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 90 C CA LYS A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 91 C C LYS A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 92 O O LYS A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 93 C CB LYS A 11 0.214 -1.886 6.433 1.00 0.00 +ATOM 94 C CG LYS A 11 -0.342 -3.330 6.577 1.00 0.00 +ATOM 95 C CD LYS A 11 0.146 -4.207 5.415 1.00 0.00 +ATOM 96 C CE LYS A 11 0.833 -5.467 5.982 1.00 0.00 +ATOM 97 N NZ LYS A 11 2.270 -5.218 6.152 1.00 0.00 +ATOM 98 N N THR A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 99 C CA THR A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 100 C C THR A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 101 O O THR A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 102 C CB THR A 12 1.320 -3.432 1.665 1.00 0.00 +ATOM 103 O OG1 THR A 12 0.315 -2.408 1.543 1.00 0.00 +ATOM 104 C CG2 THR A 12 1.982 -3.657 0.289 1.00 0.00 +ATOM 105 N N GLU A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 106 C CA GLU A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 107 C C GLU A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 108 O O GLU A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 109 C CB GLU A 13 3.786 1.056 0.439 1.00 0.00 +ATOM 110 C CG GLU A 13 2.405 1.392 1.041 1.00 0.00 +ATOM 111 C CD GLU A 13 2.557 1.814 2.513 1.00 0.00 +ATOM 112 O OE1 GLU A 13 2.592 0.963 3.382 1.00 0.00 +ATOM 113 O OE2 GLU A 13 2.358 3.180 2.880 1.00 0.00 +ATOM 114 N N ASP A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 115 C CA ASP A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 116 C C ASP A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 117 O O ASP A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 118 C CB ASP A 14 6.721 -0.889 4.792 1.00 0.00 +ATOM 119 C CG ASP A 14 7.227 -1.730 3.661 1.00 0.00 +ATOM 120 O OD1 ASP A 14 6.468 -2.151 2.792 1.00 0.00 +ATOM 121 O OD2 ASP A 14 8.517 -2.384 3.784 1.00 0.00 +ATOM 122 N N ASP A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 123 C CA ASP A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 124 C C ASP A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 125 O O ASP A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 126 C CB ASP A 15 8.882 3.953 3.875 1.00 0.00 +ATOM 127 C CG ASP A 15 8.080 4.506 5.013 1.00 0.00 +ATOM 128 O OD1 ASP A 15 7.014 3.995 5.348 1.00 0.00 +ATOM 129 O OD2 ASP A 15 8.337 5.860 5.472 1.00 0.00 +ATOM 130 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 131 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 132 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 133 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 134 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 135 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 136 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 137 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 138 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 139 N N SER A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 140 C CA SER A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 141 C C SER A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 142 O O SER A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 143 C CB SER A 17 10.992 -1.364 7.702 1.00 0.00 +ATOM 144 O OG SER A 17 11.494 -0.684 6.539 1.00 0.00 +ATOM 145 N N ASP A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 146 C CA ASP A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 147 C C ASP A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 148 O O ASP A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 149 C CB ASP A 18 13.346 -1.425 13.037 1.00 0.00 +ATOM 150 C CG ASP A 18 12.478 -2.639 13.166 1.00 0.00 +ATOM 151 O OD1 ASP A 18 11.341 -2.661 12.702 1.00 0.00 +ATOM 152 O OD2 ASP A 18 12.804 -3.643 14.164 1.00 0.00 +ATOM 153 N N SER A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 154 C CA SER A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 155 C C SER A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 156 O O SER A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 157 C CB SER A 19 16.136 -3.507 8.794 1.00 0.00 +ATOM 158 O OG SER A 19 16.664 -2.478 9.650 1.00 0.00 +ATOM 159 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 160 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 161 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 162 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 163 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 164 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 165 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 166 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 167 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 168 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 169 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 170 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 171 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 172 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 173 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 174 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 175 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 176 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 177 N N ALA A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 178 C CA ALA A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 179 C C ALA A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 180 O O ALA A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 181 C CB ALA A 22 10.717 -10.148 12.940 1.00 0.00 +ATOM 182 N N THR A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 183 C CA THR A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 184 C C THR A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 185 O O THR A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 186 C CB THR A 23 7.045 -6.137 13.798 1.00 0.00 +ATOM 187 O OG1 THR A 23 7.673 -6.064 12.505 1.00 0.00 +ATOM 188 C CG2 THR A 23 5.517 -6.009 13.627 1.00 0.00 +ATOM 189 N N SER A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 190 C CA SER A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 191 C C SER A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 192 O O SER A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 193 C CB SER A 24 6.284 -11.638 12.921 1.00 0.00 +ATOM 194 O OG SER A 24 7.698 -11.590 12.656 1.00 0.00 +ATOM 195 N N ASP A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 196 C CA ASP A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 197 C C ASP A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 198 O O ASP A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 199 C CB ASP A 25 3.902 -12.858 18.284 1.00 0.00 +ATOM 200 C CG ASP A 25 2.755 -13.091 17.349 1.00 0.00 +ATOM 201 O OD1 ASP A 25 2.509 -12.306 16.436 1.00 0.00 +ATOM 202 O OD2 ASP A 25 1.697 -14.007 17.736 1.00 0.00 +ATOM 203 N N ASP A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 204 C CA ASP A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 205 C C ASP A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 206 O O ASP A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 207 C CB ASP A 26 8.141 -16.667 17.576 1.00 0.00 +ATOM 208 C CG ASP A 26 8.728 -16.181 18.865 1.00 0.00 +ATOM 209 O OD1 ASP A 26 8.650 -14.999 19.194 1.00 0.00 +ATOM 210 O OD2 ASP A 26 9.725 -16.990 19.542 1.00 0.00 +ATOM 211 N N SER A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 212 C CA SER A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 213 C C SER A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 214 O O SER A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 215 C CB SER A 27 4.741 -18.637 20.797 1.00 0.00 +ATOM 216 O OG SER A 27 4.052 -18.277 19.586 1.00 0.00 +ATOM 217 N N GLY A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 218 C CA GLY A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 219 C C GLY A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 220 O O GLY A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 221 N N THR A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 222 C CA THR A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 223 C C THR A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 224 O O THR A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 225 C CB THR A 29 2.648 -24.860 22.022 1.00 0.00 +ATOM 226 O OG1 THR A 29 3.938 -24.496 22.545 1.00 0.00 +ATOM 227 C CG2 THR A 29 1.700 -25.190 23.195 1.00 0.00 +ATOM 228 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 229 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 230 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 231 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 232 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 233 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 234 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 235 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 236 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 237 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 238 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 239 N N VAL A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 240 C CA VAL A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 241 C C VAL A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 242 O O VAL A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 243 C CB VAL A 31 -2.525 -19.724 19.298 1.00 0.00 +ATOM 244 C CG2 VAL A 31 -2.083 -18.245 19.171 1.00 0.00 +ATOM 245 C CG1 VAL A 31 -1.405 -20.639 18.762 1.00 0.00 +ATOM 246 N N ASP A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 247 C CA ASP A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 248 C C ASP A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 249 O O ASP A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 250 C CB ASP A 32 -6.237 -22.744 20.995 1.00 0.00 +ATOM 251 C CG ASP A 32 -5.561 -22.800 19.660 1.00 0.00 +ATOM 252 O OD1 ASP A 32 -6.211 -22.823 18.618 1.00 0.00 +ATOM 253 O OD2 ASP A 32 -4.174 -23.224 19.583 1.00 0.00 +ATOM 254 N N ARG A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 255 C CA ARG A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 256 C C ARG A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 257 O O ARG A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 258 C CB ARG A 33 -5.785 -27.439 23.477 1.00 0.00 +ATOM 259 C CG ARG A 33 -7.156 -26.820 23.168 1.00 0.00 +ATOM 260 C CD ARG A 33 -7.680 -27.298 21.793 1.00 0.00 +ATOM 261 N NE ARG A 33 -6.608 -27.253 20.791 1.00 0.00 +ATOM 262 C CZ ARG A 33 -6.219 -28.715 20.486 1.00 0.00 +ATOM 263 N NH1 ARG A 33 -6.059 -29.084 19.274 1.00 0.00 +ATOM 264 N NH2 ARG A 33 -5.815 -29.613 21.577 1.00 0.00 +ATOM 265 N N SER A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 266 C CA SER A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 267 C C SER A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 268 O O SER A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 269 C CB SER A 34 -0.641 -25.832 20.394 1.00 0.00 +ATOM 270 O OG SER A 34 -0.125 -25.619 21.720 1.00 0.00 +ATOM 271 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 272 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 273 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 274 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 275 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 276 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 277 N N ASP A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 278 C CA ASP A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 279 C C ASP A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 280 O O ASP A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 281 C CB ASP A 36 -3.536 -31.549 15.679 1.00 0.00 +ATOM 282 C CG ASP A 36 -4.676 -30.913 16.413 1.00 0.00 +ATOM 283 O OD1 ASP A 36 -4.596 -30.655 17.612 1.00 0.00 +ATOM 284 O OD2 ASP A 36 -6.007 -30.956 15.834 1.00 0.00 +ATOM 285 N N ARG A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 286 C CA ARG A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 287 C C ARG A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 288 O O ARG A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 289 C CB ARG A 37 -4.852 -27.464 13.597 1.00 0.00 +ATOM 290 C CG ARG A 37 -5.606 -28.754 13.949 1.00 0.00 +ATOM 291 C CD ARG A 37 -6.879 -28.443 14.772 1.00 0.00 +ATOM 292 N NE ARG A 37 -6.587 -27.453 15.815 1.00 0.00 +ATOM 293 C CZ ARG A 37 -7.261 -26.134 15.382 1.00 0.00 +ATOM 294 N NH1 ARG A 37 -7.925 -25.456 16.237 1.00 0.00 +ATOM 295 N NH2 ARG A 37 -6.960 -25.547 14.069 1.00 0.00 +ATOM 296 N N ALA A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 297 C CA ALA A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 298 C C ALA A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 299 O O ALA A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 300 C CB ALA A 38 -5.262 -25.280 18.304 1.00 0.00 +ATOM 301 N N ASP A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 302 C CA ASP A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 303 C C ASP A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 304 O O ASP A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 305 C CB ASP A 39 0.372 -25.866 19.683 1.00 0.00 +ATOM 306 C CG ASP A 39 0.166 -24.414 19.382 1.00 0.00 +ATOM 307 O OD1 ASP A 39 -0.383 -23.668 20.190 1.00 0.00 +ATOM 308 O OD2 ASP A 39 0.244 -23.954 18.007 1.00 0.00 +ATOM 309 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 310 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 311 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 312 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 313 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 314 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 315 N N ASP A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 316 C CA ASP A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 317 C C ASP A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 318 O O ASP A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 319 C CB ASP A 41 -3.089 -19.677 23.293 1.00 0.00 +ATOM 320 C CG ASP A 41 -3.699 -18.350 22.961 1.00 0.00 +ATOM 321 O OD1 ASP A 41 -4.139 -18.115 21.838 1.00 0.00 +ATOM 322 O OD2 ASP A 41 -3.426 -17.209 23.816 1.00 0.00 +ATOM 323 N N GLU A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 324 C CA GLU A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 325 C C GLU A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 326 O O GLU A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 327 C CB GLU A 42 -3.782 -20.705 18.358 1.00 0.00 +ATOM 328 C CG GLU A 42 -2.857 -21.766 18.992 1.00 0.00 +ATOM 329 C CD GLU A 42 -1.798 -22.223 17.972 1.00 0.00 +ATOM 330 O OE1 GLU A 42 -2.068 -23.108 17.181 1.00 0.00 +ATOM 331 O OE2 GLU A 42 -0.436 -21.831 18.145 1.00 0.00 +ATOM 332 N N SER A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 333 C CA SER A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 334 C C SER A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 335 O O SER A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 336 C CB SER A 43 -7.972 -23.088 20.940 1.00 0.00 +ATOM 337 O OG SER A 43 -6.982 -23.276 21.967 1.00 0.00 +ATOM 338 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 339 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 340 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 341 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 342 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 343 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 344 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 345 N N ALA A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 346 C CA ALA A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 347 C C ALA A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 348 O O ALA A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 349 C CB ALA A 45 -11.963 -15.346 20.459 1.00 0.00 +ATOM 350 N N THR A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 351 C CA THR A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 352 C C THR A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 353 O O THR A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 354 C CB THR A 46 -11.750 -16.724 14.869 1.00 0.00 +ATOM 355 O OG1 THR A 46 -13.023 -17.227 15.315 1.00 0.00 +ATOM 356 C CG2 THR A 46 -11.937 -15.995 13.522 1.00 0.00 +ATOM 357 N N THR A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 358 C CA THR A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 359 C C THR A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 360 O O THR A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 361 C CB THR A 47 -10.927 -11.631 14.401 1.00 0.00 +ATOM 362 O OG1 THR A 47 -9.666 -12.300 14.216 1.00 0.00 +ATOM 363 C CG2 THR A 47 -10.976 -10.382 13.497 1.00 0.00 +ATOM 364 N N PRO A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 365 C CA PRO A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 366 C C PRO A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 367 O O PRO A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 368 C CB PRO A 48 -15.009 -11.009 10.876 1.00 0.00 +ATOM 369 C CG PRO A 48 -15.462 -10.970 12.355 1.00 0.00 +ATOM 370 C CD PRO A 48 -14.220 -11.183 13.227 1.00 0.00 +ATOM 371 N N GLY A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 372 C CA GLY A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 373 C C GLY A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 374 O O GLY A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 375 N N GLY A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 376 C CA GLY A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 377 C C GLY A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 378 O O GLY A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 379 N N ALA A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 380 C CA ALA A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 381 C C ALA A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 382 O O ALA A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 383 C CB ALA A 51 -17.214 -2.145 4.929 1.00 0.00 +ATOM 384 N N VAL A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 385 C CA VAL A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 386 C C VAL A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 387 O O VAL A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 388 C CB VAL A 52 -18.754 -1.718 9.892 1.00 0.00 +ATOM 389 C CG2 VAL A 52 -20.110 -1.370 10.554 1.00 0.00 +ATOM 390 C CG1 VAL A 52 -17.617 -1.503 10.912 1.00 0.00 +ATOM 391 N N LYS A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 392 C CA LYS A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 393 C C LYS A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 394 O O LYS A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 395 C CB LYS A 53 -23.334 -3.275 9.686 1.00 0.00 +ATOM 396 C CG LYS A 53 -23.521 -2.114 10.702 1.00 0.00 +ATOM 397 C CD LYS A 53 -22.170 -1.729 11.326 1.00 0.00 +ATOM 398 C CE LYS A 53 -21.936 -0.217 11.136 1.00 0.00 +ATOM 399 N NZ LYS A 53 -21.213 0.023 9.881 1.00 0.00 +ATOM 400 N N ALA A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 401 C CA ALA A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 402 C C ALA A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 403 O O ALA A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 404 C CB ALA A 54 -24.030 -1.021 4.327 1.00 0.00 +ATOM 405 N N ALA A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 406 C CA ALA A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 407 C C ALA A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 408 O O ALA A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 409 C CB ALA A 55 -26.713 0.095 8.684 1.00 0.00 +ATOM 410 N N GLY A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 411 C CA GLY A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 412 C C GLY A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 413 O O GLY A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 414 N N ASP A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 415 C CA ASP A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 416 C C ASP A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 417 O O ASP A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 418 C CB ASP A 57 -27.245 0.241 15.305 1.00 0.00 +ATOM 419 C CG ASP A 57 -27.647 1.657 15.583 1.00 0.00 +ATOM 420 O OD1 ASP A 57 -27.081 2.599 15.033 1.00 0.00 +ATOM 421 O OD2 ASP A 57 -28.418 1.955 16.777 1.00 0.00 +ATOM 422 N N THR A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 423 C CA THR A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 424 C C THR A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 425 O O THR A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 426 C CB THR A 58 -31.827 -0.529 14.181 1.00 0.00 +ATOM 427 O OG1 THR A 58 -31.076 -1.198 15.211 1.00 0.00 +ATOM 428 C CG2 THR A 58 -33.294 -0.386 14.636 1.00 0.00 +ATOM 429 N N GLU A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 430 C CA GLU A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 431 C C GLU A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 432 O O GLU A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 433 C CB GLU A 59 -32.165 2.630 18.204 1.00 0.00 +ATOM 434 C CG GLU A 59 -30.790 1.928 18.187 1.00 0.00 +ATOM 435 C CD GLU A 59 -29.749 2.815 17.481 1.00 0.00 +ATOM 436 O OE1 GLU A 59 -29.648 2.775 16.269 1.00 0.00 +ATOM 437 O OE2 GLU A 59 -28.723 3.446 18.248 1.00 0.00 +ATOM 438 N N ASP A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 439 C CA ASP A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 440 C C ASP A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 441 O O ASP A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 442 C CB ASP A 60 -33.532 6.591 15.225 1.00 0.00 +ATOM 443 C CG ASP A 60 -34.917 6.032 15.332 1.00 0.00 +ATOM 444 O OD1 ASP A 60 -35.106 4.838 15.553 1.00 0.00 +ATOM 445 O OD2 ASP A 60 -36.032 6.788 14.792 1.00 0.00 +ATOM 446 N N ARG A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 447 C CA ARG A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 448 C C ARG A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 449 O O ARG A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 450 C CB ARG A 61 -34.044 9.650 19.191 1.00 0.00 +ATOM 451 C CG ARG A 61 -32.590 9.436 18.746 1.00 0.00 +ATOM 452 C CD ARG A 61 -31.685 9.104 19.956 1.00 0.00 +ATOM 453 N NE ARG A 61 -31.987 9.995 21.083 1.00 0.00 +ATOM 454 C CZ ARG A 61 -32.712 9.143 22.145 1.00 0.00 +ATOM 455 N NH1 ARG A 61 -32.372 9.243 23.372 1.00 0.00 +ATOM 456 N NH2 ARG A 61 -33.926 8.395 21.789 1.00 0.00 +ATOM 457 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 458 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 459 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 460 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 461 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 462 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 463 N N THR A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 464 C CA THR A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 465 C C THR A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 466 O O THR A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 467 C CB THR A 63 -37.557 15.559 15.076 1.00 0.00 +ATOM 468 O OG1 THR A 63 -38.559 15.153 16.027 1.00 0.00 +ATOM 469 C CG2 THR A 63 -36.891 16.862 15.566 1.00 0.00 +ATOM 470 N N GLU A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 471 C CA GLU A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 472 C C GLU A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 473 O O GLU A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 474 C CB GLU A 64 -32.951 15.395 17.128 1.00 0.00 +ATOM 475 C CG GLU A 64 -34.371 15.973 17.309 1.00 0.00 +ATOM 476 C CD GLU A 64 -35.217 15.037 18.191 1.00 0.00 +ATOM 477 O OE1 GLU A 64 -35.797 14.095 17.684 1.00 0.00 +ATOM 478 O OE2 GLU A 64 -35.557 15.436 19.519 1.00 0.00 +ATOM 479 N N THR A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 480 C CA THR A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 481 C C THR A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 482 O O THR A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 483 C CB THR A 65 -32.927 10.670 18.651 1.00 0.00 +ATOM 484 O OG1 THR A 65 -33.149 10.687 17.229 1.00 0.00 +ATOM 485 C CG2 THR A 65 -32.289 9.323 19.048 1.00 0.00 +ATOM 486 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 487 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 488 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 489 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 490 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 491 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 492 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 493 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 494 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 495 N N PRO A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 496 C CA PRO A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 497 C C PRO A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 498 O O PRO A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 499 C CB PRO A 67 -28.379 15.543 19.193 1.00 0.00 +ATOM 500 C CG PRO A 67 -29.783 15.012 19.568 1.00 0.00 +ATOM 501 C CD PRO A 67 -29.671 13.495 19.752 1.00 0.00 +ATOM 502 N N LYS A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 503 C CA LYS A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 504 C C LYS A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 505 O O LYS A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 506 C CB LYS A 68 -26.496 16.505 23.504 1.00 0.00 +ATOM 507 C CG LYS A 68 -27.428 15.471 24.195 1.00 0.00 +ATOM 508 C CD LYS A 68 -28.557 15.050 23.243 1.00 0.00 +ATOM 509 C CE LYS A 68 -28.573 13.513 23.121 1.00 0.00 +ATOM 510 N NZ LYS A 68 -27.723 13.093 21.999 1.00 0.00 +ATOM 511 N N ALA A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 512 C CA ALA A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 513 C C ALA A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 514 O O ALA A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 515 C CB ALA A 69 -21.848 13.642 23.084 1.00 0.00 +ATOM 516 N N SER A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 517 C CA SER A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 518 C C SER A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 519 O O SER A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 520 C CB SER A 70 -23.691 10.855 26.413 1.00 0.00 +ATOM 521 O OG SER A 70 -23.558 12.233 26.802 1.00 0.00 +ATOM 522 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 523 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 524 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 525 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 526 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 527 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 528 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 529 N N ALA A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 530 C CA ALA A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 531 C C ALA A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 532 O O ALA A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 533 C CB ALA A 72 -26.622 9.703 21.002 1.00 0.00 +ATOM 534 N N SER A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 535 C CA SER A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 536 C C SER A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 537 O O SER A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 538 C CB SER A 73 -30.724 6.861 21.410 1.00 0.00 +ATOM 539 O OG SER A 73 -31.151 8.235 21.405 1.00 0.00 +ATOM 540 N N GLY A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 541 C CA GLY A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 542 C C GLY A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 543 O O GLY A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 544 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 545 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 546 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 547 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 548 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 549 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 550 N N GLU A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 551 C CA GLU A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 552 C C GLU A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 553 O O GLU A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 554 C CB GLU A 76 -27.884 9.244 11.533 1.00 0.00 +ATOM 555 C CG GLU A 76 -29.010 8.907 12.534 1.00 0.00 +ATOM 556 C CD GLU A 76 -28.935 9.846 13.751 1.00 0.00 +ATOM 557 O OE1 GLU A 76 -28.196 9.570 14.678 1.00 0.00 +ATOM 558 O OE2 GLU A 76 -29.930 10.855 13.926 1.00 0.00 +ATOM 559 N N THR A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 560 C CA THR A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 561 C C THR A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 562 O O THR A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 563 C CB THR A 77 -25.483 13.113 12.667 1.00 0.00 +ATOM 564 O OG1 THR A 77 -26.413 12.425 13.523 1.00 0.00 +ATOM 565 C CG2 THR A 77 -24.598 14.042 13.524 1.00 0.00 +ATOM 566 N N ALA A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 567 C CA ALA A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 568 C C ALA A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 569 O O ALA A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 570 C CB ALA A 78 -20.083 13.518 12.693 1.00 0.00 +ATOM 571 N N SER A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 572 C CA SER A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 573 C C SER A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 574 O O SER A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 575 C CB SER A 79 -22.498 9.455 16.659 1.00 0.00 +ATOM 576 O OG SER A 79 -22.126 8.479 15.670 1.00 0.00 +ATOM 577 N N PRO A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 578 C CA PRO A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 579 C C PRO A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 580 O O PRO A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 581 C CB PRO A 80 -18.023 10.862 18.492 1.00 0.00 +ATOM 582 C CG PRO A 80 -18.710 11.738 17.418 1.00 0.00 +ATOM 583 C CD PRO A 80 -18.654 13.192 17.898 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo99_s20.cif b/soup/screen/mmcifs/denovo99_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..6a81da0a88f028cec9b16ae32cf64e742fe761ec --- /dev/null +++ b/soup/screen/mmcifs/denovo99_s20.cif @@ -0,0 +1,616 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N ARG A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA ARG A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C ARG A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O ARG A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB ARG A 1 2.055 -0.779 -1.228 1.00 0.00 +ATOM 6 C CG ARG A 1 0.978 -0.982 -2.303 1.00 0.00 +ATOM 7 C CD ARG A 1 1.112 0.075 -3.425 1.00 0.00 +ATOM 8 N NE ARG A 1 1.339 1.407 -2.851 1.00 0.00 +ATOM 9 C CZ ARG A 1 2.809 1.775 -3.142 1.00 0.00 +ATOM 10 N NH1 ARG A 1 3.091 2.943 -3.577 1.00 0.00 +ATOM 11 N NH2 ARG A 1 3.893 0.880 -2.714 1.00 0.00 +ATOM 12 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 13 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 14 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 15 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 16 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 17 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 18 N N LYS A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 19 C CA LYS A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 20 C C LYS A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 21 O O LYS A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 22 C CB LYS A 3 4.867 4.221 -4.228 1.00 0.00 +ATOM 23 C CG LYS A 3 3.771 4.445 -5.307 1.00 0.00 +ATOM 24 C CD LYS A 3 2.383 4.129 -4.731 1.00 0.00 +ATOM 25 C CE LYS A 3 1.456 5.343 -4.945 1.00 0.00 +ATOM 26 N NZ LYS A 3 1.529 6.239 -3.784 1.00 0.00 +ATOM 27 N N ARG A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 28 C CA ARG A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 29 C C ARG A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 30 O O ARG A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 31 C CB ARG A 4 6.145 8.651 -5.787 1.00 0.00 +ATOM 32 C CG ARG A 4 7.081 7.435 -5.828 1.00 0.00 +ATOM 33 C CD ARG A 4 7.290 6.947 -7.281 1.00 0.00 +ATOM 34 N NE ARG A 4 6.011 6.917 -8.001 1.00 0.00 +ATOM 35 C CZ ARG A 4 6.042 8.079 -9.015 1.00 0.00 +ATOM 36 N NH1 ARG A 4 5.652 7.879 -10.215 1.00 0.00 +ATOM 37 N NH2 ARG A 4 6.300 9.451 -8.558 1.00 0.00 +ATOM 38 N N PRO A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 39 C CA PRO A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 40 C C PRO A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 41 O O PRO A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 42 C CB PRO A 5 3.611 6.155 -9.662 1.00 0.00 +ATOM 43 C CG PRO A 5 4.749 5.432 -8.903 1.00 0.00 +ATOM 44 C CD PRO A 5 4.874 6.086 -7.522 1.00 0.00 +ATOM 45 N N PRO A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 46 C CA PRO A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 47 C C PRO A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 48 O O PRO A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 49 C CB PRO A 6 -0.304 4.408 -7.307 1.00 0.00 +ATOM 50 C CG PRO A 6 1.004 3.900 -7.958 1.00 0.00 +ATOM 51 C CD PRO A 6 2.036 5.031 -7.870 1.00 0.00 +ATOM 52 N N ASP A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 53 C CA ASP A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 54 C C ASP A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 55 O O ASP A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 56 C CB ASP A 7 -1.599 5.273 -2.643 1.00 0.00 +ATOM 57 C CG ASP A 7 -2.858 4.972 -3.394 1.00 0.00 +ATOM 58 O OD1 ASP A 7 -2.955 5.208 -4.596 1.00 0.00 +ATOM 59 O OD2 ASP A 7 -4.095 4.774 -2.658 1.00 0.00 +ATOM 60 N N LYS A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 61 C CA LYS A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 62 C C LYS A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 63 O O LYS A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 64 C CB LYS A 8 -0.666 0.519 -1.274 1.00 0.00 +ATOM 65 C CG LYS A 8 -0.994 -0.981 -1.028 1.00 0.00 +ATOM 66 C CD LYS A 8 -1.893 -1.134 0.208 1.00 0.00 +ATOM 67 C CE LYS A 8 -3.154 -1.934 -0.177 1.00 0.00 +ATOM 68 N NZ LYS A 8 -4.217 -1.015 -0.604 1.00 0.00 +ATOM 69 N N GLY A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 70 C CA GLY A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 71 C C GLY A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 72 O O GLY A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 73 N N PRO A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 74 C CA PRO A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 75 C C PRO A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 76 O O PRO A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 77 C CB PRO A 10 -4.670 -2.670 3.717 1.00 0.00 +ATOM 78 C CG PRO A 10 -5.252 -2.293 2.335 1.00 0.00 +ATOM 79 C CD PRO A 10 -4.854 -0.842 2.043 1.00 0.00 +ATOM 80 N N ARG A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 81 C CA ARG A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 82 C C ARG A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 83 O O ARG A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 84 C CB ARG A 11 0.200 -1.991 6.421 1.00 0.00 +ATOM 85 C CG ARG A 11 -1.075 -2.583 7.039 1.00 0.00 +ATOM 86 C CD ARG A 11 -1.184 -4.096 6.734 1.00 0.00 +ATOM 87 N NE ARG A 11 -0.854 -4.362 5.328 1.00 0.00 +ATOM 88 C CZ ARG A 11 0.521 -5.062 5.316 1.00 0.00 +ATOM 89 N NH1 ARG A 11 0.699 -6.089 4.578 1.00 0.00 +ATOM 90 N NH2 ARG A 11 1.677 -4.430 5.967 1.00 0.00 +ATOM 91 N N ARG A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 92 C CA ARG A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 93 C C ARG A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 94 O O ARG A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 95 C CB ARG A 12 1.330 -3.404 1.616 1.00 0.00 +ATOM 96 C CG ARG A 12 0.079 -2.518 1.699 1.00 0.00 +ATOM 97 C CD ARG A 12 -1.196 -3.332 1.375 1.00 0.00 +ATOM 98 N NE ARG A 12 -0.976 -4.186 0.202 1.00 0.00 +ATOM 99 C CZ ARG A 12 -0.895 -5.639 0.716 1.00 0.00 +ATOM 100 N NH1 ARG A 12 -1.531 -6.561 0.101 1.00 0.00 +ATOM 101 N NH2 ARG A 12 0.074 -6.000 1.760 1.00 0.00 +ATOM 102 N N GLY A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 103 C CA GLY A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 104 C C GLY A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 105 O O GLY A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 106 N N SER A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 107 C CA SER A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 108 C C SER A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 109 O O SER A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 110 C CB SER A 14 6.695 -0.845 4.801 1.00 0.00 +ATOM 111 O OG SER A 14 6.828 -1.798 3.731 1.00 0.00 +ATOM 112 N N GLY A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 113 C CA GLY A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 114 C C GLY A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 115 O O GLY A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 116 N N GLU A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 117 C CA GLU A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 118 C C GLU A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 119 O O GLU A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 120 C CB GLU A 16 10.311 3.868 8.804 1.00 0.00 +ATOM 121 C CG GLU A 16 8.772 3.905 8.680 1.00 0.00 +ATOM 122 C CD GLU A 16 8.188 2.500 8.917 1.00 0.00 +ATOM 123 O OE1 GLU A 16 8.122 1.713 7.991 1.00 0.00 +ATOM 124 O OE2 GLU A 16 7.465 2.231 10.118 1.00 0.00 +ATOM 125 N N VAL A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 126 C CA VAL A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 127 C C VAL A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 128 O O VAL A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 129 C CB VAL A 17 10.934 -1.393 7.711 1.00 0.00 +ATOM 130 C CG2 VAL A 17 11.336 -0.685 6.394 1.00 0.00 +ATOM 131 C CG1 VAL A 17 11.862 -2.602 7.945 1.00 0.00 +ATOM 132 N N ARG A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 133 C CA ARG A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 134 C C ARG A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 135 O O ARG A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 136 C CB ARG A 18 13.376 -1.394 13.031 1.00 0.00 +ATOM 137 C CG ARG A 18 11.948 -1.916 13.242 1.00 0.00 +ATOM 138 C CD ARG A 18 11.332 -1.333 14.535 1.00 0.00 +ATOM 139 N NE ARG A 18 12.304 -1.381 15.634 1.00 0.00 +ATOM 140 C CZ ARG A 18 12.753 0.071 15.898 1.00 0.00 +ATOM 141 N NH1 ARG A 18 12.825 0.499 17.100 1.00 0.00 +ATOM 142 N NH2 ARG A 18 13.308 0.882 14.806 1.00 0.00 +ATOM 143 N N GLU A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 144 C CA GLU A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 145 C C GLU A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 146 O O GLU A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 147 C CB GLU A 19 16.146 -3.534 8.756 1.00 0.00 +ATOM 148 C CG GLU A 19 16.515 -2.133 9.290 1.00 0.00 +ATOM 149 C CD GLU A 19 17.620 -1.508 8.421 1.00 0.00 +ATOM 150 O OE1 GLU A 19 18.787 -1.769 8.651 1.00 0.00 +ATOM 151 O OE2 GLU A 19 17.306 -0.414 7.559 1.00 0.00 +ATOM 152 N N ARG A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 153 C CA ARG A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 154 C C ARG A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 155 O O ARG A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 156 C CB ARG A 20 15.907 -5.590 13.644 1.00 0.00 +ATOM 157 C CG ARG A 20 16.204 -4.090 13.504 1.00 0.00 +ATOM 158 C CD ARG A 20 15.480 -3.278 14.604 1.00 0.00 +ATOM 159 N NE ARG A 20 14.097 -3.744 14.760 1.00 0.00 +ATOM 160 C CZ ARG A 20 14.028 -4.501 16.102 1.00 0.00 +ATOM 161 N NH1 ARG A 20 13.054 -4.282 16.899 1.00 0.00 +ATOM 162 N NH2 ARG A 20 14.941 -5.622 16.365 1.00 0.00 +ATOM 163 N N GLU A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 164 C CA GLU A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 165 C C GLU A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 166 O O GLU A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 167 C CB GLU A 21 11.761 -5.751 16.017 1.00 0.00 +ATOM 168 C CG GLU A 21 12.178 -4.517 15.187 1.00 0.00 +ATOM 169 C CD GLU A 21 11.510 -4.561 13.801 1.00 0.00 +ATOM 170 O OE1 GLU A 21 12.033 -5.191 12.901 1.00 0.00 +ATOM 171 O OE2 GLU A 21 10.462 -3.641 13.494 1.00 0.00 +ATOM 172 N N SER A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 173 C CA SER A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 174 C C SER A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 175 O O SER A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 176 C CB SER A 22 10.719 -10.151 12.894 1.00 0.00 +ATOM 177 O OG SER A 22 10.993 -10.364 14.290 1.00 0.00 +ATOM 178 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 179 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 180 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 181 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 182 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 183 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 184 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 185 N N ARG A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 186 C CA ARG A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 187 C C ARG A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 188 O O ARG A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 189 C CB ARG A 24 6.275 -11.658 12.898 1.00 0.00 +ATOM 190 C CG ARG A 24 7.630 -11.206 12.335 1.00 0.00 +ATOM 191 C CD ARG A 24 8.728 -12.255 12.632 1.00 0.00 +ATOM 192 N NE ARG A 24 8.627 -12.727 14.018 1.00 0.00 +ATOM 193 C CZ ARG A 24 8.093 -14.173 13.960 1.00 0.00 +ATOM 194 N NH1 ARG A 24 8.639 -15.075 14.681 1.00 0.00 +ATOM 195 N NH2 ARG A 24 6.834 -14.468 13.262 1.00 0.00 +ATOM 196 N N SER A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 197 C CA SER A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 198 C C SER A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 199 O O SER A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 200 C CB SER A 25 3.953 -12.851 18.283 1.00 0.00 +ATOM 201 O OG SER A 25 2.855 -12.693 17.368 1.00 0.00 +ATOM 202 N N SER A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 203 C CA SER A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 204 C C SER A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 205 O O SER A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 206 C CB SER A 26 8.096 -16.669 17.551 1.00 0.00 +ATOM 207 O OG SER A 26 8.698 -15.877 18.590 1.00 0.00 +ATOM 208 N N GLU A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 209 C CA GLU A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 210 C C GLU A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 211 O O GLU A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 212 C CB GLU A 27 4.733 -18.648 20.843 1.00 0.00 +ATOM 213 C CG GLU A 27 4.030 -17.791 19.769 1.00 0.00 +ATOM 214 C CD GLU A 27 3.804 -18.620 18.493 1.00 0.00 +ATOM 215 O OE1 GLU A 27 4.693 -18.707 17.666 1.00 0.00 +ATOM 216 O OE2 GLU A 27 2.482 -19.031 18.143 1.00 0.00 +ATOM 217 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 218 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 219 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 220 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 221 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 222 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 223 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 224 N N SER A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 225 C CA SER A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 226 C C SER A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 227 O O SER A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 228 C CB SER A 29 2.646 -24.821 22.060 1.00 0.00 +ATOM 229 O OG SER A 29 3.859 -24.366 22.685 1.00 0.00 +ATOM 230 N N VAL A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 231 C CA VAL A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 232 C C VAL A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 233 O O VAL A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 234 C CB VAL A 30 1.454 -19.280 22.800 1.00 0.00 +ATOM 235 C CG2 VAL A 30 2.652 -19.057 21.844 1.00 0.00 +ATOM 236 C CG1 VAL A 30 0.674 -17.959 22.956 1.00 0.00 +ATOM 237 N N ALA A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 238 C CA ALA A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 239 C C ALA A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 240 O O ALA A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 241 C CB ALA A 31 -2.507 -19.829 19.290 1.00 0.00 +ATOM 242 N N ARG A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 243 C CA ARG A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 244 C C ARG A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 245 O O ARG A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 246 C CB ARG A 32 -6.255 -22.749 21.035 1.00 0.00 +ATOM 247 C CG ARG A 32 -6.571 -24.177 20.569 1.00 0.00 +ATOM 248 C CD ARG A 32 -6.776 -24.225 19.036 1.00 0.00 +ATOM 249 N NE ARG A 32 -7.614 -23.103 18.595 1.00 0.00 +ATOM 250 C CZ ARG A 32 -6.690 -22.121 17.846 1.00 0.00 +ATOM 251 N NH1 ARG A 32 -7.071 -21.622 16.733 1.00 0.00 +ATOM 252 N NH2 ARG A 32 -5.489 -21.589 18.504 1.00 0.00 +ATOM 253 N N SER A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 254 C CA SER A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 255 C C SER A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 256 O O SER A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 257 C CB SER A 33 -5.776 -27.411 23.466 1.00 0.00 +ATOM 258 O OG SER A 33 -6.962 -27.024 22.749 1.00 0.00 +ATOM 259 N N GLY A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 260 C CA GLY A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 261 C C GLY A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 262 O O GLY A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 263 N N THR A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 264 C CA THR A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 265 C C THR A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 266 O O THR A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 267 C CB THR A 35 -2.634 -31.137 20.631 1.00 0.00 +ATOM 268 O OG1 THR A 35 -3.853 -30.469 21.005 1.00 0.00 +ATOM 269 C CG2 THR A 35 -2.954 -32.596 20.244 1.00 0.00 +ATOM 270 N N PRO A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 271 C CA PRO A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 272 C C PRO A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 273 O O PRO A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 274 C CB PRO A 36 -3.510 -31.519 15.709 1.00 0.00 +ATOM 275 C CG PRO A 36 -4.053 -31.507 17.158 1.00 0.00 +ATOM 276 C CD PRO A 36 -5.444 -30.863 17.127 1.00 0.00 +ATOM 277 N N ASP A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 278 C CA ASP A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 279 C C ASP A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 280 O O ASP A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 281 C CB ASP A 37 -4.885 -27.488 13.615 1.00 0.00 +ATOM 282 C CG ASP A 37 -6.041 -28.082 14.360 1.00 0.00 +ATOM 283 O OD1 ASP A 37 -5.949 -29.179 14.907 1.00 0.00 +ATOM 284 O OD2 ASP A 37 -7.379 -27.575 14.118 1.00 0.00 +ATOM 285 N N ARG A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 286 C CA ARG A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 287 C C ARG A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 288 O O ARG A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 289 C CB ARG A 38 -5.286 -25.220 18.310 1.00 0.00 +ATOM 290 C CG ARG A 38 -5.948 -26.553 17.933 1.00 0.00 +ATOM 291 C CD ARG A 38 -7.421 -26.337 17.510 1.00 0.00 +ATOM 292 N NE ARG A 38 -8.092 -25.417 18.436 1.00 0.00 +ATOM 293 C CZ ARG A 38 -8.299 -24.090 17.676 1.00 0.00 +ATOM 294 N NH1 ARG A 38 -9.427 -23.494 17.746 1.00 0.00 +ATOM 295 N NH2 ARG A 38 -7.153 -23.402 17.067 1.00 0.00 +ATOM 296 N N ALA A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 297 C CA ALA A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 298 C C ALA A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 299 O O ALA A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 300 C CB ALA A 39 0.328 -25.867 19.682 1.00 0.00 +ATOM 301 N N ALA A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 302 C CA ALA A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 303 C C ALA A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 304 O O ALA A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 305 C CB ALA A 40 -1.575 -24.087 23.589 1.00 0.00 +ATOM 306 N N LYS A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 307 C CA LYS A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 308 C C LYS A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 309 O O LYS A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 310 C CB LYS A 41 -3.177 -19.686 23.407 1.00 0.00 +ATOM 311 C CG LYS A 41 -3.901 -18.312 23.453 1.00 0.00 +ATOM 312 C CD LYS A 41 -4.484 -17.970 22.073 1.00 0.00 +ATOM 313 C CE LYS A 41 -5.988 -17.661 22.220 1.00 0.00 +ATOM 314 N NZ LYS A 41 -6.770 -18.891 22.038 1.00 0.00 +ATOM 315 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 316 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 317 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 318 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 319 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 320 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 321 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 322 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 323 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 324 N N GLY A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 325 C CA GLY A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 326 C C GLY A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 327 O O GLY A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 328 N N THR A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 329 C CA THR A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 330 C C THR A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 331 O O THR A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 332 C CB THR A 45 -12.037 -15.401 20.473 1.00 0.00 +ATOM 333 O OG1 THR A 45 -11.121 -14.732 21.358 1.00 0.00 +ATOM 334 C CG2 THR A 45 -12.689 -14.362 19.537 1.00 0.00 +ATOM 335 N N ASP A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 336 C CA ASP A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 337 C C ASP A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 338 O O ASP A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 339 C CB ASP A 46 -11.833 -16.705 14.848 1.00 0.00 +ATOM 340 C CG ASP A 46 -13.314 -16.757 15.063 1.00 0.00 +ATOM 341 O OD1 ASP A 46 -13.792 -17.244 16.085 1.00 0.00 +ATOM 342 O OD2 ASP A 46 -14.204 -16.607 13.925 1.00 0.00 +ATOM 343 N N SER A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 344 C CA SER A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 345 C C SER A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 346 O O SER A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 347 C CB SER A 47 -10.915 -11.641 14.349 1.00 0.00 +ATOM 348 O OG SER A 47 -9.677 -12.292 14.010 1.00 0.00 +ATOM 349 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 350 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 351 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 352 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 353 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 354 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 355 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 356 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 357 N N GLU A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 358 C CA GLU A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 359 C C GLU A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 360 O O GLU A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 361 C CB GLU A 49 -11.340 -8.523 7.868 1.00 0.00 +ATOM 362 C CG GLU A 49 -10.968 -10.020 7.808 1.00 0.00 +ATOM 363 C CD GLU A 49 -11.711 -10.705 6.646 1.00 0.00 +ATOM 364 O OE1 GLU A 49 -12.843 -11.118 6.817 1.00 0.00 +ATOM 365 O OE2 GLU A 49 -10.984 -11.115 5.489 1.00 0.00 +ATOM 366 N N LYS A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 367 C CA LYS A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 368 C C LYS A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 369 O O LYS A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 370 C CB LYS A 50 -16.390 -6.815 6.265 1.00 0.00 +ATOM 371 C CG LYS A 50 -17.216 -6.470 7.537 1.00 0.00 +ATOM 372 C CD LYS A 50 -16.530 -7.039 8.788 1.00 0.00 +ATOM 373 C CE LYS A 50 -16.320 -5.904 9.812 1.00 0.00 +ATOM 374 N NZ LYS A 50 -15.006 -5.281 9.604 1.00 0.00 +ATOM 375 N N ARG A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 376 C CA ARG A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 377 C C ARG A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 378 O O ARG A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 379 C CB ARG A 51 -17.187 -2.088 4.915 1.00 0.00 +ATOM 380 C CG ARG A 51 -17.709 -3.229 4.030 1.00 0.00 +ATOM 381 C CD ARG A 51 -17.381 -2.967 2.541 1.00 0.00 +ATOM 382 N NE ARG A 51 -17.670 -1.571 2.189 1.00 0.00 +ATOM 383 C CZ ARG A 51 -16.309 -0.868 1.999 1.00 0.00 +ATOM 384 N NH1 ARG A 51 -16.131 -0.104 0.991 1.00 0.00 +ATOM 385 N NH2 ARG A 51 -15.309 -0.893 3.075 1.00 0.00 +ATOM 386 N N LYS A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 387 C CA LYS A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 388 C C LYS A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 389 O O LYS A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 390 C CB LYS A 52 -18.732 -1.748 9.923 1.00 0.00 +ATOM 391 C CG LYS A 52 -19.315 -0.693 8.942 1.00 0.00 +ATOM 392 C CD LYS A 52 -20.741 -1.084 8.524 1.00 0.00 +ATOM 393 C CE LYS A 52 -21.695 0.093 8.809 1.00 0.00 +ATOM 394 N NZ LYS A 52 -22.257 -0.035 10.160 1.00 0.00 +ATOM 395 N N GLU A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 396 C CA GLU A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 397 C C GLU A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 398 O O GLU A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 399 C CB GLU A 53 -23.374 -3.201 9.705 1.00 0.00 +ATOM 400 C CG GLU A 53 -22.674 -2.806 11.024 1.00 0.00 +ATOM 401 C CD GLU A 53 -22.711 -1.279 11.206 1.00 0.00 +ATOM 402 O OE1 GLU A 53 -21.853 -0.589 10.687 1.00 0.00 +ATOM 403 O OE2 GLU A 53 -23.554 -0.708 12.207 1.00 0.00 +ATOM 404 N N PRO A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 405 C CA PRO A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 406 C C PRO A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 407 O O PRO A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 408 C CB PRO A 54 -24.021 -1.034 4.327 1.00 0.00 +ATOM 409 C CG PRO A 54 -24.014 -2.575 4.464 1.00 0.00 +ATOM 410 C CD PRO A 54 -23.307 -2.921 5.779 1.00 0.00 +ATOM 411 N N GLY A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 412 C CA GLY A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 413 C C GLY A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 414 O O GLY A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 415 N N PRO A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 416 C CA PRO A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 417 C C PRO A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 418 O O PRO A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 419 C CB PRO A 56 -25.506 3.688 12.522 1.00 0.00 +ATOM 420 C CG PRO A 56 -26.435 4.186 11.390 1.00 0.00 +ATOM 421 C CD PRO A 56 -26.420 3.130 10.279 1.00 0.00 +ATOM 422 N N THR A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 423 C CA THR A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 424 C C THR A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 425 O O THR A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 426 C CB THR A 57 -27.194 0.180 15.269 1.00 0.00 +ATOM 427 O OG1 THR A 57 -27.055 1.600 15.464 1.00 0.00 +ATOM 428 C CG2 THR A 57 -28.299 -0.354 16.203 1.00 0.00 +ATOM 429 N N ARG A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 430 C CA ARG A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 431 C C ARG A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 432 O O ARG A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 433 C CB ARG A 58 -31.858 -0.526 14.229 1.00 0.00 +ATOM 434 C CG ARG A 58 -30.906 -1.399 15.059 1.00 0.00 +ATOM 435 C CD ARG A 58 -31.228 -1.285 16.568 1.00 0.00 +ATOM 436 N NE ARG A 58 -31.454 0.117 16.940 1.00 0.00 +ATOM 437 C CZ ARG A 58 -32.965 0.269 17.212 1.00 0.00 +ATOM 438 N NH1 ARG A 58 -33.358 0.908 18.246 1.00 0.00 +ATOM 439 N NH2 ARG A 58 -33.942 -0.116 16.184 1.00 0.00 +ATOM 440 N N PRO A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 441 C CA PRO A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 442 C C PRO A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 443 O O PRO A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 444 C CB PRO A 59 -32.084 2.607 18.153 1.00 0.00 +ATOM 445 C CG PRO A 59 -30.849 1.691 17.983 1.00 0.00 +ATOM 446 C CD PRO A 59 -30.915 1.077 16.581 1.00 0.00 +ATOM 447 N N PRO A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 448 C CA PRO A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 449 C C PRO A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 450 O O PRO A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 451 C CB PRO A 60 -33.524 6.558 15.262 1.00 0.00 +ATOM 452 C CG PRO A 60 -34.216 5.198 15.003 1.00 0.00 +ATOM 453 C CD PRO A 60 -35.730 5.431 15.048 1.00 0.00 +ATOM 454 N N VAL A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 455 C CA VAL A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 456 C C VAL A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 457 O O VAL A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 458 C CB VAL A 61 -34.063 9.598 19.215 1.00 0.00 +ATOM 459 C CG2 VAL A 61 -32.635 9.728 18.630 1.00 0.00 +ATOM 460 C CG1 VAL A 61 -34.519 10.968 19.756 1.00 0.00 +ATOM 461 N N ALA A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 462 C CA ALA A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 463 C C ALA A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 464 O O ALA A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 465 C CB ALA A 62 -38.695 11.053 16.228 1.00 0.00 +ATOM 466 N N GLU A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 467 C CA GLU A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 468 C C GLU A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 469 O O GLU A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 470 C CB GLU A 63 -37.527 15.593 15.100 1.00 0.00 +ATOM 471 C CG GLU A 63 -38.802 15.115 15.828 1.00 0.00 +ATOM 472 C CD GLU A 63 -38.492 14.834 17.309 1.00 0.00 +ATOM 473 O OE1 GLU A 63 -38.046 13.749 17.635 1.00 0.00 +ATOM 474 O OE2 GLU A 63 -38.996 15.713 18.315 1.00 0.00 +ATOM 475 N N ALA A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 476 C CA ALA A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 477 C C ALA A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 478 O O ALA A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 479 C CB ALA A 64 -33.038 15.370 17.140 1.00 0.00 +ATOM 480 N N VAL A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 481 C CA VAL A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 482 C C VAL A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 483 O O VAL A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 484 C CB VAL A 65 -32.932 10.661 18.665 1.00 0.00 +ATOM 485 C CG2 VAL A 65 -33.166 10.639 17.134 1.00 0.00 +ATOM 486 C CG1 VAL A 65 -32.301 9.324 19.104 1.00 0.00 +ATOM 487 N N ASP A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 488 C CA ASP A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 489 C C ASP A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 490 O O ASP A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 491 C CB ASP A 66 -28.203 9.834 19.338 1.00 0.00 +ATOM 492 C CG ASP A 66 -28.562 10.294 17.959 1.00 0.00 +ATOM 493 O OD1 ASP A 66 -29.732 10.490 17.637 1.00 0.00 +ATOM 494 O OD2 ASP A 66 -27.599 10.136 16.883 1.00 0.00 +ATOM 495 N N ALA A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 496 C CA ALA A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 497 C C ALA A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 498 O O ALA A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 499 C CB ALA A 67 -28.367 15.552 19.198 1.00 0.00 +ATOM 500 N N ARG A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 501 C CA ARG A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 502 C C ARG A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 503 O O ARG A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 504 C CB ARG A 68 -26.531 16.421 23.561 1.00 0.00 +ATOM 505 C CG ARG A 68 -28.024 16.088 23.440 1.00 0.00 +ATOM 506 C CD ARG A 68 -28.377 14.825 24.261 1.00 0.00 +ATOM 507 N NE ARG A 68 -27.369 13.779 24.052 1.00 0.00 +ATOM 508 C CZ ARG A 68 -26.552 13.677 25.357 1.00 0.00 +ATOM 509 N NH1 ARG A 68 -26.286 12.527 25.846 1.00 0.00 +ATOM 510 N NH2 ARG A 68 -25.894 14.869 25.911 1.00 0.00 +ATOM 511 N N GLU A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 512 C CA GLU A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 513 C C GLU A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 514 O O GLU A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 515 C CB GLU A 69 -21.787 13.592 23.039 1.00 0.00 +ATOM 516 C CG GLU A 69 -21.975 14.964 23.721 1.00 0.00 +ATOM 517 C CD GLU A 69 -20.628 15.477 24.261 1.00 0.00 +ATOM 518 O OE1 GLU A 69 -20.245 15.120 25.360 1.00 0.00 +ATOM 519 O OE2 GLU A 69 -19.986 16.579 23.621 1.00 0.00 +ATOM 520 N N ARG A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 521 C CA ARG A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 522 C C ARG A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 523 O O ARG A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 524 C CB ARG A 70 -23.690 10.840 26.441 1.00 0.00 +ATOM 525 C CG ARG A 70 -23.055 12.199 26.772 1.00 0.00 +ATOM 526 C CD ARG A 70 -24.089 13.147 27.424 1.00 0.00 +ATOM 527 N NE ARG A 70 -25.367 13.087 26.703 1.00 0.00 +ATOM 528 C CZ ARG A 70 -26.360 12.339 27.616 1.00 0.00 +ATOM 529 N NH1 ARG A 70 -27.542 12.799 27.772 1.00 0.00 +ATOM 530 N NH2 ARG A 70 -26.033 10.998 28.121 1.00 0.00 +ATOM 531 N N VAL A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 532 C CA VAL A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 533 C C VAL A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 534 O O VAL A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 535 C CB VAL A 71 -28.356 11.494 26.300 1.00 0.00 +ATOM 536 C CG2 VAL A 71 -27.421 12.692 26.003 1.00 0.00 +ATOM 537 C CG1 VAL A 71 -29.773 11.811 25.779 1.00 0.00 +ATOM 538 N N THR A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 539 C CA THR A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 540 C C THR A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 541 O O THR A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 542 C CB THR A 72 -26.630 9.789 20.966 1.00 0.00 +ATOM 543 O OG1 THR A 72 -25.591 9.115 21.700 1.00 0.00 +ATOM 544 C CG2 THR A 72 -26.961 8.977 19.696 1.00 0.00 +ATOM 545 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 546 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 547 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 548 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 549 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 550 N N THR A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 551 C CA THR A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 552 C C THR A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 553 O O THR A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 554 C CB THR A 74 -29.455 8.043 16.256 1.00 0.00 +ATOM 555 O OG1 THR A 74 -29.062 9.198 17.021 1.00 0.00 +ATOM 556 C CG2 THR A 74 -29.045 8.249 14.782 1.00 0.00 +ATOM 557 N N THR A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 558 C CA THR A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 559 C C THR A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 560 O O THR A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 561 C CB THR A 75 -26.344 4.143 13.817 1.00 0.00 +ATOM 562 O OG1 THR A 75 -27.698 3.714 13.581 1.00 0.00 +ATOM 563 C CG2 THR A 75 -25.500 3.875 12.553 1.00 0.00 +ATOM 564 N N GLY A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 565 C CA GLY A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 566 C C GLY A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 567 O O GLY A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 568 N N ARG A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 569 C CA ARG A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 570 C C ARG A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 571 O O ARG A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 572 C CB ARG A 77 -25.463 13.117 12.720 1.00 0.00 +ATOM 573 C CG ARG A 77 -26.677 12.442 13.373 1.00 0.00 +ATOM 574 C CD ARG A 77 -26.374 12.061 14.842 1.00 0.00 +ATOM 575 N NE ARG A 77 -25.044 11.450 14.950 1.00 0.00 +ATOM 576 C CZ ARG A 77 -24.133 12.480 15.650 1.00 0.00 +ATOM 577 N NH1 ARG A 77 -23.356 12.098 16.589 1.00 0.00 +ATOM 578 N NH2 ARG A 77 -23.993 13.835 15.100 1.00 0.00 +ATOM 579 N N PRO A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 580 C CA PRO A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 581 C C PRO A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 582 O O PRO A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 583 C CB PRO A 78 -20.090 13.522 12.679 1.00 0.00 +ATOM 584 C CG PRO A 78 -20.949 14.585 11.955 1.00 0.00 +ATOM 585 C CD PRO A 78 -22.352 14.000 11.767 1.00 0.00 +ATOM 586 N N LYS A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 587 C CA LYS A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 588 C C LYS A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 589 O O LYS A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 590 C CB LYS A 79 -22.583 9.519 16.682 1.00 0.00 +ATOM 591 C CG LYS A 79 -21.863 8.209 16.254 1.00 0.00 +ATOM 592 C CD LYS A 79 -21.667 8.182 14.730 1.00 0.00 +ATOM 593 C CE LYS A 79 -20.176 7.945 14.415 1.00 0.00 +ATOM 594 N NZ LYS A 79 -19.481 9.233 14.293 1.00 0.00 +ATOM 595 N N SER A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 596 C CA SER A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 597 C C SER A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 598 O O SER A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 599 C CB SER A 80 -17.991 10.823 18.509 1.00 0.00 +ATOM 600 O OG SER A 80 -18.552 12.066 18.049 1.00 0.00 diff --git a/soup/screen/mmcifs/denovo9_s20.cif b/soup/screen/mmcifs/denovo9_s20.cif new file mode 100644 index 0000000000000000000000000000000000000000..3ffa6fc14e11a08f89129e0addcc626d121eeb49 --- /dev/null +++ b/soup/screen/mmcifs/denovo9_s20.cif @@ -0,0 +1,581 @@ +data_soup +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_seq_id +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +# +ATOM 1 N N SER A 1 0.000 0.000 0.000 1.00 0.00 +ATOM 2 C CA SER A 1 1.458 0.000 0.000 1.00 0.00 +ATOM 3 C C SER A 1 2.004 1.422 0.000 1.00 0.00 +ATOM 4 O O SER A 1 3.228 1.551 -0.000 1.00 0.00 +ATOM 5 C CB SER A 1 2.030 -0.764 -1.214 1.00 0.00 +ATOM 6 O OG SER A 1 1.194 -0.529 -2.361 1.00 0.00 +ATOM 7 N N SER A 2 1.492 2.253 -0.902 1.00 0.00 +ATOM 8 C CA SER A 2 1.927 3.641 -1.008 1.00 0.00 +ATOM 9 C C SER A 2 3.202 3.752 -1.834 1.00 0.00 +ATOM 10 O O SER A 2 3.668 4.880 -1.994 1.00 0.00 +ATOM 11 C CB SER A 2 2.165 4.274 0.381 1.00 0.00 +ATOM 12 O OG SER A 2 2.727 3.286 1.263 1.00 0.00 +ATOM 13 N N PRO A 3 3.530 4.968 -2.257 1.00 0.00 +ATOM 14 C CA PRO A 3 4.725 5.211 -3.057 1.00 0.00 +ATOM 15 C C PRO A 3 4.782 6.659 -3.525 1.00 0.00 +ATOM 16 O O PRO A 3 5.750 6.987 -4.212 1.00 0.00 +ATOM 17 C CB PRO A 3 4.740 4.274 -4.292 1.00 0.00 +ATOM 18 C CG PRO A 3 3.372 3.553 -4.306 1.00 0.00 +ATOM 19 C CD PRO A 3 2.632 3.985 -5.577 1.00 0.00 +ATOM 20 N N ALA A 4 4.650 6.866 -4.832 1.00 0.00 +ATOM 21 C CA ALA A 4 4.687 8.203 -5.410 1.00 0.00 +ATOM 22 C C ALA A 4 3.805 8.286 -6.649 1.00 0.00 +ATOM 23 O O ALA A 4 3.755 9.372 -7.228 1.00 0.00 +ATOM 24 C CB ALA A 4 6.135 8.589 -5.804 1.00 0.00 +ATOM 25 N N LYS A 5 3.803 7.224 -7.448 1.00 0.00 +ATOM 26 C CA LYS A 5 3.003 7.175 -8.666 1.00 0.00 +ATOM 27 C C LYS A 5 1.565 6.778 -8.358 1.00 0.00 +ATOM 28 O O LYS A 5 0.790 6.703 -9.312 1.00 0.00 +ATOM 29 C CB LYS A 5 3.628 6.277 -9.751 1.00 0.00 +ATOM 30 C CG LYS A 5 3.595 4.777 -9.346 1.00 0.00 +ATOM 31 C CD LYS A 5 4.485 4.536 -8.117 1.00 0.00 +ATOM 32 C CE LYS A 5 3.657 3.838 -7.019 1.00 0.00 +ATOM 33 N NZ LYS A 5 3.041 4.843 -6.143 1.00 0.00 +ATOM 34 N N VAL A 6 1.340 6.241 -7.163 1.00 0.00 +ATOM 35 C CA VAL A 6 0.009 5.818 -6.744 1.00 0.00 +ATOM 36 C C VAL A 6 -0.100 5.788 -5.225 1.00 0.00 +ATOM 37 O O VAL A 6 -1.183 5.445 -4.750 1.00 0.00 +ATOM 38 C CB VAL A 6 -0.391 4.446 -7.358 1.00 0.00 +ATOM 39 C CG2 VAL A 6 0.861 3.550 -7.526 1.00 0.00 +ATOM 40 C CG1 VAL A 6 -1.442 3.700 -6.511 1.00 0.00 +ATOM 41 N N GLU A 7 -0.267 4.594 -4.667 1.00 0.00 +ATOM 42 C CA GLU A 7 -0.386 4.426 -3.223 1.00 0.00 +ATOM 43 C C GLU A 7 -0.592 2.961 -2.859 1.00 0.00 +ATOM 44 O O GLU A 7 -0.707 2.693 -1.663 1.00 0.00 +ATOM 45 C CB GLU A 7 -1.536 5.276 -2.599 1.00 0.00 +ATOM 46 C CG GLU A 7 -2.515 5.759 -3.691 1.00 0.00 +ATOM 47 C CD GLU A 7 -3.390 4.588 -4.174 1.00 0.00 +ATOM 48 O OE1 GLU A 7 -2.975 3.848 -5.047 1.00 0.00 +ATOM 49 O OE2 GLU A 7 -4.773 4.550 -3.824 1.00 0.00 +ATOM 50 N N SER A 8 -1.619 2.688 -2.061 1.00 0.00 +ATOM 51 C CA SER A 8 -1.926 1.327 -1.637 1.00 0.00 +ATOM 52 C C SER A 8 -2.948 1.325 -0.507 1.00 0.00 +ATOM 53 O O SER A 8 -3.289 0.229 -0.063 1.00 0.00 +ATOM 54 C CB SER A 8 -0.661 0.570 -1.178 1.00 0.00 +ATOM 55 O OG SER A 8 0.216 1.482 -0.492 1.00 0.00 +ATOM 56 N N ALA A 9 -2.477 1.525 0.719 1.00 0.00 +ATOM 57 C CA ALA A 9 -3.348 1.547 1.888 1.00 0.00 +ATOM 58 C C ALA A 9 -3.008 0.411 2.844 1.00 0.00 +ATOM 59 O O ALA A 9 -3.680 0.325 3.872 1.00 0.00 +ATOM 60 C CB ALA A 9 -4.833 1.413 1.465 1.00 0.00 +ATOM 61 N N ALA A 10 -4.025 -0.332 3.268 1.00 0.00 +ATOM 62 C CA ALA A 10 -3.836 -1.449 4.185 1.00 0.00 +ATOM 63 C C ALA A 10 -2.368 -1.847 4.266 1.00 0.00 +ATOM 64 O O ALA A 10 -2.083 -2.783 5.012 1.00 0.00 +ATOM 65 C CB ALA A 10 -4.660 -2.679 3.725 1.00 0.00 +ATOM 66 N N GLU A 11 -1.563 -1.011 4.914 1.00 0.00 +ATOM 67 C CA GLU A 11 -0.136 -1.273 5.063 1.00 0.00 +ATOM 68 C C GLU A 11 0.387 -2.120 3.911 1.00 0.00 +ATOM 69 O O GLU A 11 1.583 -2.408 3.927 1.00 0.00 +ATOM 70 C CB GLU A 11 0.222 -1.968 6.413 1.00 0.00 +ATOM 71 C CG GLU A 11 -1.038 -2.574 7.070 1.00 0.00 +ATOM 72 C CD GLU A 11 -0.746 -2.943 8.536 1.00 0.00 +ATOM 73 O OE1 GLU A 11 -0.241 -4.020 8.795 1.00 0.00 +ATOM 74 O OE2 GLU A 11 -1.326 -2.171 9.587 1.00 0.00 +ATOM 75 N N GLY A 12 1.706 -2.251 3.822 1.00 0.00 +ATOM 76 C CA GLY A 12 2.336 -3.034 2.766 1.00 0.00 +ATOM 77 C C GLY A 12 3.523 -2.291 2.168 1.00 0.00 +ATOM 78 O O GLY A 12 4.138 -2.855 1.263 1.00 0.00 +ATOM 79 N N PRO A 13 3.261 -1.125 1.586 1.00 0.00 +ATOM 80 C CA PRO A 13 4.307 -0.313 0.976 1.00 0.00 +ATOM 81 C C PRO A 13 5.447 -0.066 1.955 1.00 0.00 +ATOM 82 O O PRO A 13 6.393 0.610 1.551 1.00 0.00 +ATOM 83 C CB PRO A 13 3.725 1.048 0.515 1.00 0.00 +ATOM 84 C CG PRO A 13 2.274 1.103 1.051 1.00 0.00 +ATOM 85 C CD PRO A 13 1.976 -0.242 1.723 1.00 0.00 +ATOM 86 N N GLU A 14 5.103 0.209 3.209 1.00 0.00 +ATOM 87 C CA GLU A 14 6.097 0.466 4.244 1.00 0.00 +ATOM 88 C C GLU A 14 7.222 1.345 3.715 1.00 0.00 +ATOM 89 O O GLU A 14 8.124 1.632 4.501 1.00 0.00 +ATOM 90 C CB GLU A 14 6.706 -0.838 4.847 1.00 0.00 +ATOM 91 C CG GLU A 14 6.421 -2.050 3.934 1.00 0.00 +ATOM 92 C CD GLU A 14 7.312 -1.990 2.680 1.00 0.00 +ATOM 93 O OE1 GLU A 14 6.953 -1.336 1.718 1.00 0.00 +ATOM 94 O OE2 GLU A 14 8.386 -2.919 2.532 1.00 0.00 +ATOM 95 N N VAL A 15 8.201 1.631 4.566 1.00 0.00 +ATOM 96 C CA VAL A 15 9.337 2.463 4.185 1.00 0.00 +ATOM 97 C C VAL A 15 10.387 2.490 5.288 1.00 0.00 +ATOM 98 O O VAL A 15 11.397 3.162 5.082 1.00 0.00 +ATOM 99 C CB VAL A 15 8.904 3.905 3.795 1.00 0.00 +ATOM 100 C CG2 VAL A 15 7.671 4.336 4.627 1.00 0.00 +ATOM 101 C CG1 VAL A 15 10.034 4.937 3.985 1.00 0.00 +ATOM 102 N N THR A 16 10.040 3.089 6.423 1.00 0.00 +ATOM 103 C CA THR A 16 10.952 3.184 7.557 1.00 0.00 +ATOM 104 C C THR A 16 11.474 1.810 7.954 1.00 0.00 +ATOM 105 O O THR A 16 12.256 1.762 8.903 1.00 0.00 +ATOM 106 C CB THR A 16 10.290 3.895 8.765 1.00 0.00 +ATOM 107 O OG1 THR A 16 8.877 3.621 8.772 1.00 0.00 +ATOM 108 C CG2 THR A 16 10.896 3.468 10.119 1.00 0.00 +ATOM 109 N N ASP A 17 10.588 0.965 8.472 1.00 0.00 +ATOM 110 C CA ASP A 17 10.958 -0.381 8.893 1.00 0.00 +ATOM 111 C C ASP A 17 12.316 -0.383 9.583 1.00 0.00 +ATOM 112 O O ASP A 17 12.737 -1.468 9.985 1.00 0.00 +ATOM 113 C CB ASP A 17 11.011 -1.377 7.656 1.00 0.00 +ATOM 114 C CG ASP A 17 11.880 -0.822 6.570 1.00 0.00 +ATOM 115 O OD1 ASP A 17 11.602 0.237 6.012 1.00 0.00 +ATOM 116 O OD2 ASP A 17 12.820 -1.698 5.894 1.00 0.00 +ATOM 117 N N PRO A 18 12.389 -1.024 10.745 1.00 0.00 +ATOM 118 C CA PRO A 18 13.629 -1.102 11.507 1.00 0.00 +ATOM 119 C C PRO A 18 14.552 -2.174 10.942 1.00 0.00 +ATOM 120 O O PRO A 18 15.635 -2.333 11.505 1.00 0.00 +ATOM 121 C CB PRO A 18 13.323 -1.424 12.993 1.00 0.00 +ATOM 122 C CG PRO A 18 11.807 -1.726 13.067 1.00 0.00 +ATOM 123 C CD PRO A 18 11.217 -1.485 11.673 1.00 0.00 +ATOM 124 N N VAL A 19 14.036 -2.970 10.011 1.00 0.00 +ATOM 125 C CA VAL A 19 14.812 -4.036 9.389 1.00 0.00 +ATOM 126 C C VAL A 19 15.118 -5.143 10.389 1.00 0.00 +ATOM 127 O O VAL A 19 15.771 -6.102 9.978 1.00 0.00 +ATOM 128 C CB VAL A 19 16.118 -3.504 8.731 1.00 0.00 +ATOM 129 C CG2 VAL A 19 16.667 -2.298 9.534 1.00 0.00 +ATOM 130 C CG1 VAL A 19 17.212 -4.585 8.624 1.00 0.00 +ATOM 131 N N ASP A 20 14.564 -5.026 11.591 1.00 0.00 +ATOM 132 C CA ASP A 20 14.776 -6.017 12.639 1.00 0.00 +ATOM 133 C C ASP A 20 13.492 -6.274 13.416 1.00 0.00 +ATOM 134 O O ASP A 20 13.547 -7.096 14.331 1.00 0.00 +ATOM 135 C CB ASP A 20 15.904 -5.547 13.656 1.00 0.00 +ATOM 136 C CG ASP A 20 15.607 -4.173 14.172 1.00 0.00 +ATOM 137 O OD1 ASP A 20 15.551 -3.207 13.415 1.00 0.00 +ATOM 138 O OD2 ASP A 20 15.775 -3.894 15.587 1.00 0.00 +ATOM 139 N N PRO A 21 13.630 -6.747 14.650 1.00 0.00 +ATOM 140 C CA PRO A 21 12.481 -7.035 15.500 1.00 0.00 +ATOM 141 C C PRO A 21 11.472 -7.915 14.774 1.00 0.00 +ATOM 142 O O PRO A 21 10.455 -8.228 15.392 1.00 0.00 +ATOM 143 C CB PRO A 21 11.790 -5.715 15.930 1.00 0.00 +ATOM 144 C CG PRO A 21 12.483 -4.585 15.134 1.00 0.00 +ATOM 145 C CD PRO A 21 11.435 -3.958 14.208 1.00 0.00 +ATOM 146 N N THR A 22 11.473 -7.847 13.446 1.00 0.00 +ATOM 147 C CA THR A 22 10.558 -8.637 12.631 1.00 0.00 +ATOM 148 C C THR A 22 9.112 -8.235 12.889 1.00 0.00 +ATOM 149 O O THR A 22 8.244 -8.836 12.255 1.00 0.00 +ATOM 150 C CB THR A 22 10.759 -10.158 12.857 1.00 0.00 +ATOM 151 O OG1 THR A 22 11.183 -10.393 14.212 1.00 0.00 +ATOM 152 C CG2 THR A 22 9.484 -10.980 12.574 1.00 0.00 +ATOM 153 N N PRO A 23 8.812 -7.859 14.127 1.00 0.00 +ATOM 154 C CA PRO A 23 7.465 -7.450 14.506 1.00 0.00 +ATOM 155 C C PRO A 23 6.460 -8.561 14.232 1.00 0.00 +ATOM 156 O O PRO A 23 5.283 -8.333 14.513 1.00 0.00 +ATOM 157 C CB PRO A 23 7.051 -6.182 13.717 1.00 0.00 +ATOM 158 C CG PRO A 23 8.170 -5.933 12.678 1.00 0.00 +ATOM 159 C CD PRO A 23 7.553 -6.092 11.284 1.00 0.00 +ATOM 160 N N GLU A 24 6.861 -9.801 14.494 1.00 0.00 +ATOM 161 C CA GLU A 24 5.996 -10.955 14.276 1.00 0.00 +ATOM 162 C C GLU A 24 6.155 -11.975 15.396 1.00 0.00 +ATOM 163 O O GLU A 24 5.473 -12.997 15.322 1.00 0.00 +ATOM 164 C CB GLU A 24 6.244 -11.657 12.905 1.00 0.00 +ATOM 165 C CG GLU A 24 7.597 -11.223 12.302 1.00 0.00 +ATOM 166 C CD GLU A 24 8.755 -11.890 13.065 1.00 0.00 +ATOM 167 O OE1 GLU A 24 9.182 -11.375 14.082 1.00 0.00 +ATOM 168 O OE2 GLU A 24 9.512 -12.924 12.435 1.00 0.00 +ATOM 169 N N VAL A 25 5.242 -11.942 16.361 1.00 0.00 +ATOM 170 C CA VAL A 25 5.279 -12.864 17.491 1.00 0.00 +ATOM 171 C C VAL A 25 5.572 -14.285 17.026 1.00 0.00 +ATOM 172 O O VAL A 25 5.628 -15.156 17.894 1.00 0.00 +ATOM 173 C CB VAL A 25 3.971 -12.813 18.333 1.00 0.00 +ATOM 174 C CG2 VAL A 25 2.759 -12.507 17.418 1.00 0.00 +ATOM 175 C CG1 VAL A 25 3.711 -14.122 19.105 1.00 0.00 +ATOM 176 N N LYS A 26 6.225 -15.065 17.881 1.00 0.00 +ATOM 177 C CA LYS A 26 6.567 -16.445 17.561 1.00 0.00 +ATOM 178 C C LYS A 26 5.926 -17.410 18.549 1.00 0.00 +ATOM 179 O O LYS A 26 6.144 -18.610 18.381 1.00 0.00 +ATOM 180 C CB LYS A 26 8.088 -16.668 17.442 1.00 0.00 +ATOM 181 C CG LYS A 26 8.799 -16.526 18.817 1.00 0.00 +ATOM 182 C CD LYS A 26 8.681 -15.084 19.332 1.00 0.00 +ATOM 183 C CE LYS A 26 8.077 -15.100 20.752 1.00 0.00 +ATOM 184 N NZ LYS A 26 6.615 -14.992 20.673 1.00 0.00 +ATOM 185 N N LYS A 27 6.725 -17.924 19.480 1.00 0.00 +ATOM 186 C CA LYS A 27 6.237 -18.859 20.486 1.00 0.00 +ATOM 187 C C LYS A 27 6.447 -20.300 20.039 1.00 0.00 +ATOM 188 O O LYS A 27 6.074 -21.184 20.809 1.00 0.00 +ATOM 189 C CB LYS A 27 4.775 -18.589 20.889 1.00 0.00 +ATOM 190 C CG LYS A 27 3.790 -18.905 19.728 1.00 0.00 +ATOM 191 C CD LYS A 27 2.338 -18.749 20.203 1.00 0.00 +ATOM 192 C CE LYS A 27 1.596 -17.780 19.260 1.00 0.00 +ATOM 193 N NZ LYS A 27 1.712 -16.405 19.764 1.00 0.00 +ATOM 194 N N THR A 28 5.430 -21.134 20.226 1.00 0.00 +ATOM 195 C CA THR A 28 5.501 -22.539 19.843 1.00 0.00 +ATOM 196 C C THR A 28 4.470 -23.364 20.602 1.00 0.00 +ATOM 197 O O THR A 28 4.434 -24.571 20.361 1.00 0.00 +ATOM 198 C CB THR A 28 6.926 -23.114 20.040 1.00 0.00 +ATOM 199 O OG1 THR A 28 7.563 -22.455 21.150 1.00 0.00 +ATOM 200 C CG2 THR A 28 6.930 -24.638 20.286 1.00 0.00 +ATOM 201 N N VAL A 29 3.198 -23.013 20.446 1.00 0.00 +ATOM 202 C CA VAL A 29 2.114 -23.721 21.116 1.00 0.00 +ATOM 203 C C VAL A 29 1.242 -22.758 21.911 1.00 0.00 +ATOM 204 O O VAL A 29 0.289 -23.241 22.523 1.00 0.00 +ATOM 205 C CB VAL A 29 2.636 -24.873 22.022 1.00 0.00 +ATOM 206 C CG2 VAL A 29 4.015 -24.498 22.621 1.00 0.00 +ATOM 207 C CG1 VAL A 29 1.661 -25.220 23.165 1.00 0.00 +ATOM 208 N N ARG A 30 1.342 -21.470 21.597 1.00 0.00 +ATOM 209 C CA ARG A 30 0.563 -20.445 22.281 1.00 0.00 +ATOM 210 C C ARG A 30 -0.552 -19.920 21.387 1.00 0.00 +ATOM 211 O O ARG A 30 -1.281 -19.046 21.857 1.00 0.00 +ATOM 212 C CB ARG A 30 1.451 -19.238 22.756 1.00 0.00 +ATOM 213 C CG ARG A 30 2.806 -19.258 22.034 1.00 0.00 +ATOM 214 C CD ARG A 30 2.812 -18.269 20.844 1.00 0.00 +ATOM 215 N NE ARG A 30 1.567 -18.382 20.076 1.00 0.00 +ATOM 216 C CZ ARG A 30 0.747 -17.106 20.365 1.00 0.00 +ATOM 217 N NH1 ARG A 30 0.187 -16.486 19.398 1.00 0.00 +ATOM 218 N NH2 ARG A 30 0.422 -16.735 21.749 1.00 0.00 +ATOM 219 N N SER A 31 -1.755 -20.457 21.562 1.00 0.00 +ATOM 220 C CA SER A 31 -2.908 -20.044 20.771 1.00 0.00 +ATOM 221 C C SER A 31 -4.014 -21.090 20.831 1.00 0.00 +ATOM 222 O O SER A 31 -5.043 -20.852 20.199 1.00 0.00 +ATOM 223 C CB SER A 31 -2.529 -19.789 19.296 1.00 0.00 +ATOM 224 O OG SER A 31 -1.535 -20.746 18.889 1.00 0.00 +ATOM 225 N N VAL A 32 -4.146 -21.749 21.978 1.00 0.00 +ATOM 226 C CA VAL A 32 -5.164 -22.775 22.166 1.00 0.00 +ATOM 227 C C VAL A 32 -4.537 -24.162 22.221 1.00 0.00 +ATOM 228 O O VAL A 32 -5.301 -25.115 22.378 1.00 0.00 +ATOM 229 C CB VAL A 32 -6.273 -22.709 21.077 1.00 0.00 +ATOM 230 C CG2 VAL A 32 -5.673 -22.228 19.733 1.00 0.00 +ATOM 231 C CG1 VAL A 32 -6.979 -24.063 20.865 1.00 0.00 +ATOM 232 N N THR A 33 -5.137 -25.053 23.004 1.00 0.00 +ATOM 233 C CA THR A 33 -4.639 -26.416 23.146 1.00 0.00 +ATOM 234 C C THR A 33 -3.919 -26.868 21.882 1.00 0.00 +ATOM 235 O O THR A 33 -3.452 -28.007 21.882 1.00 0.00 +ATOM 236 C CB THR A 33 -5.773 -27.404 23.520 1.00 0.00 +ATOM 237 O OG1 THR A 33 -7.012 -26.958 22.938 1.00 0.00 +ATOM 238 C CG2 THR A 33 -5.488 -28.849 23.060 1.00 0.00 +ATOM 239 N N ALA A 34 -2.727 -26.326 21.653 1.00 0.00 +ATOM 240 C CA ALA A 34 -1.934 -26.673 20.479 1.00 0.00 +ATOM 241 C C ALA A 34 -1.571 -28.152 20.483 1.00 0.00 +ATOM 242 O O ALA A 34 -0.899 -28.565 19.538 1.00 0.00 +ATOM 243 C CB ALA A 34 -0.627 -25.840 20.438 1.00 0.00 +ATOM 244 N N SER A 35 -2.194 -28.917 19.593 1.00 0.00 +ATOM 245 C CA SER A 35 -1.938 -30.349 19.492 1.00 0.00 +ATOM 246 C C SER A 35 -2.354 -30.883 18.128 1.00 0.00 +ATOM 247 O O SER A 35 -2.186 -32.085 17.923 1.00 0.00 +ATOM 248 C CB SER A 35 -2.674 -31.142 20.595 1.00 0.00 +ATOM 249 O OG SER A 35 -3.956 -30.536 20.839 1.00 0.00 +ATOM 250 N N ALA A 36 -1.930 -30.201 17.070 1.00 0.00 +ATOM 251 C CA ALA A 36 -2.258 -30.605 15.708 1.00 0.00 +ATOM 252 C C ALA A 36 -2.524 -29.391 14.827 1.00 0.00 +ATOM 253 O O ALA A 36 -2.812 -29.607 13.650 1.00 0.00 +ATOM 254 C CB ALA A 36 -3.513 -31.514 15.695 1.00 0.00 +ATOM 255 N N GLY A 37 -3.321 -28.455 15.332 1.00 0.00 +ATOM 256 C CA GLY A 37 -3.656 -27.244 14.593 1.00 0.00 +ATOM 257 C C GLY A 37 -4.002 -26.104 15.542 1.00 0.00 +ATOM 258 O O GLY A 37 -4.304 -25.025 15.032 1.00 0.00 +ATOM 259 N N GLU A 38 -3.543 -26.206 16.784 1.00 0.00 +ATOM 260 C CA GLU A 38 -3.803 -25.184 17.791 1.00 0.00 +ATOM 261 C C GLU A 38 -2.857 -25.331 18.976 1.00 0.00 +ATOM 262 O O GLU A 38 -2.981 -24.521 19.894 1.00 0.00 +ATOM 263 C CB GLU A 38 -5.275 -25.190 18.306 1.00 0.00 +ATOM 264 C CG GLU A 38 -5.979 -26.515 17.941 1.00 0.00 +ATOM 265 C CD GLU A 38 -5.462 -27.655 18.837 1.00 0.00 +ATOM 266 O OE1 GLU A 38 -4.447 -28.250 18.527 1.00 0.00 +ATOM 267 O OE2 GLU A 38 -6.313 -28.201 19.844 1.00 0.00 +ATOM 268 N N GLU A 39 -1.978 -26.326 18.913 1.00 0.00 +ATOM 269 C CA GLU A 39 -1.017 -26.577 19.980 1.00 0.00 +ATOM 270 C C GLU A 39 -1.547 -26.080 21.319 1.00 0.00 +ATOM 271 O O GLU A 39 -0.820 -26.237 22.300 1.00 0.00 +ATOM 272 C CB GLU A 39 0.379 -25.936 19.711 1.00 0.00 +ATOM 273 C CG GLU A 39 0.288 -24.865 18.603 1.00 0.00 +ATOM 274 C CD GLU A 39 -0.397 -23.598 19.145 1.00 0.00 +ATOM 275 O OE1 GLU A 39 -1.612 -23.526 19.146 1.00 0.00 +ATOM 276 O OE2 GLU A 39 0.374 -22.417 19.362 1.00 0.00 +ATOM 277 N N SER A 40 -2.139 -24.890 21.317 1.00 0.00 +ATOM 278 C CA SER A 40 -2.688 -24.299 22.532 1.00 0.00 +ATOM 279 C C SER A 40 -3.344 -22.956 22.237 1.00 0.00 +ATOM 280 O O SER A 40 -3.846 -22.359 23.189 1.00 0.00 +ATOM 281 C CB SER A 40 -1.605 -24.108 23.616 1.00 0.00 +ATOM 282 O OG SER A 40 -2.021 -23.074 24.526 1.00 0.00 +ATOM 283 N N GLY A 41 -3.542 -22.152 23.276 1.00 0.00 +ATOM 284 C CA GLY A 41 -4.161 -20.840 23.131 1.00 0.00 +ATOM 285 C C GLY A 41 -4.833 -20.701 21.771 1.00 0.00 +ATOM 286 O O GLY A 41 -5.392 -19.631 21.531 1.00 0.00 +ATOM 287 N N ALA A 42 -4.101 -20.168 20.799 1.00 0.00 +ATOM 288 C CA ALA A 42 -4.625 -19.979 19.452 1.00 0.00 +ATOM 289 C C ALA A 42 -6.072 -20.445 19.359 1.00 0.00 +ATOM 290 O O ALA A 42 -6.626 -20.336 18.265 1.00 0.00 +ATOM 291 C CB ALA A 42 -3.781 -20.770 18.421 1.00 0.00 +ATOM 292 N N GLY A 43 -6.544 -21.126 20.398 1.00 0.00 +ATOM 293 C CA GLY A 43 -7.912 -21.629 20.436 1.00 0.00 +ATOM 294 C C GLY A 43 -8.790 -20.756 21.323 1.00 0.00 +ATOM 295 O O GLY A 43 -9.972 -21.082 21.434 1.00 0.00 +ATOM 296 N N THR A 44 -8.471 -19.468 21.389 1.00 0.00 +ATOM 297 C CA THR A 44 -9.230 -18.524 22.201 1.00 0.00 +ATOM 298 C C THR A 44 -10.446 -18.007 21.444 1.00 0.00 +ATOM 299 O O THR A 44 -11.168 -17.200 22.029 1.00 0.00 +ATOM 300 C CB THR A 44 -8.345 -17.351 22.693 1.00 0.00 +ATOM 301 O OG1 THR A 44 -7.324 -17.074 21.717 1.00 0.00 +ATOM 302 C CG2 THR A 44 -9.150 -16.063 22.964 1.00 0.00 +ATOM 303 N N GLY A 45 -10.216 -17.098 20.502 1.00 0.00 +ATOM 304 C CA GLY A 45 -11.292 -16.522 19.704 1.00 0.00 +ATOM 305 C C GLY A 45 -10.768 -16.010 18.369 1.00 0.00 +ATOM 306 O O GLY A 45 -11.588 -15.500 17.606 1.00 0.00 +ATOM 307 N N ARG A 46 -11.524 -16.252 17.303 1.00 0.00 +ATOM 308 C CA ARG A 46 -11.138 -15.816 15.967 1.00 0.00 +ATOM 309 C C ARG A 46 -11.512 -14.358 15.739 1.00 0.00 +ATOM 310 O O ARG A 46 -11.235 -13.875 14.641 1.00 0.00 +ATOM 311 C CB ARG A 46 -11.790 -16.696 14.840 1.00 0.00 +ATOM 312 C CG ARG A 46 -12.961 -17.508 15.411 1.00 0.00 +ATOM 313 C CD ARG A 46 -14.313 -16.824 15.097 1.00 0.00 +ATOM 314 N NE ARG A 46 -14.228 -15.380 15.346 1.00 0.00 +ATOM 315 C CZ ARG A 46 -14.232 -14.688 13.966 1.00 0.00 +ATOM 316 N NH1 ARG A 46 -14.972 -13.663 13.779 1.00 0.00 +ATOM 317 N NH2 ARG A 46 -13.236 -15.057 12.952 1.00 0.00 +ATOM 318 N N VAL A 47 -11.721 -13.989 14.479 1.00 0.00 +ATOM 319 C CA VAL A 47 -12.086 -12.623 14.124 1.00 0.00 +ATOM 320 C C VAL A 47 -12.539 -12.538 12.672 1.00 0.00 +ATOM 321 O O VAL A 47 -12.873 -11.430 12.255 1.00 0.00 +ATOM 322 C CB VAL A 47 -10.933 -11.616 14.406 1.00 0.00 +ATOM 323 C CG2 VAL A 47 -9.561 -12.301 14.190 1.00 0.00 +ATOM 324 C CG1 VAL A 47 -11.018 -10.354 13.525 1.00 0.00 +ATOM 325 N N ASP A 48 -13.000 -11.361 12.263 1.00 0.00 +ATOM 326 C CA ASP A 48 -13.465 -11.146 10.898 1.00 0.00 +ATOM 327 C C ASP A 48 -12.842 -9.892 10.300 1.00 0.00 +ATOM 328 O O ASP A 48 -13.160 -9.605 9.146 1.00 0.00 +ATOM 329 C CB ASP A 48 -15.047 -11.008 10.843 1.00 0.00 +ATOM 330 C CG ASP A 48 -15.518 -9.970 11.814 1.00 0.00 +ATOM 331 O OD1 ASP A 48 -15.331 -10.096 13.022 1.00 0.00 +ATOM 332 O OD2 ASP A 48 -16.532 -9.016 11.400 1.00 0.00 +ATOM 333 N N ASP A 49 -13.295 -9.514 9.109 1.00 0.00 +ATOM 334 C CA ASP A 49 -12.783 -8.332 8.427 1.00 0.00 +ATOM 335 C C ASP A 49 -13.708 -7.913 7.292 1.00 0.00 +ATOM 336 O O ASP A 49 -13.379 -6.922 6.640 1.00 0.00 +ATOM 337 C CB ASP A 49 -11.332 -8.591 7.835 1.00 0.00 +ATOM 338 C CG ASP A 49 -11.321 -9.829 6.992 1.00 0.00 +ATOM 339 O OD1 ASP A 49 -11.583 -10.929 7.473 1.00 0.00 +ATOM 340 O OD2 ASP A 49 -10.627 -9.815 5.717 1.00 0.00 +ATOM 341 N N SER A 50 -14.126 -6.651 7.302 1.00 0.00 +ATOM 342 C CA SER A 50 -15.014 -6.123 6.274 1.00 0.00 +ATOM 343 C C SER A 50 -15.139 -4.609 6.385 1.00 0.00 +ATOM 344 O O SER A 50 -15.866 -4.046 5.567 1.00 0.00 +ATOM 345 C CB SER A 50 -16.420 -6.756 6.352 1.00 0.00 +ATOM 346 O OG SER A 50 -16.770 -6.967 7.731 1.00 0.00 +ATOM 347 N N ASP A 51 -16.347 -4.097 6.179 1.00 0.00 +ATOM 348 C CA ASP A 51 -16.603 -2.663 6.255 1.00 0.00 +ATOM 349 C C ASP A 51 -17.561 -2.340 7.394 1.00 0.00 +ATOM 350 O O ASP A 51 -17.853 -1.156 7.559 1.00 0.00 +ATOM 351 C CB ASP A 51 -17.218 -2.114 4.897 1.00 0.00 +ATOM 352 C CG ASP A 51 -18.414 -2.922 4.497 1.00 0.00 +ATOM 353 O OD1 ASP A 51 -18.318 -4.121 4.248 1.00 0.00 +ATOM 354 O OD2 ASP A 51 -19.603 -2.241 4.016 1.00 0.00 +ATOM 355 N N SER A 52 -17.882 -3.345 8.203 1.00 0.00 +ATOM 356 C CA SER A 52 -18.788 -3.169 9.331 1.00 0.00 +ATOM 357 C C SER A 52 -20.208 -3.575 8.958 1.00 0.00 +ATOM 358 O O SER A 52 -21.068 -3.470 9.833 1.00 0.00 +ATOM 359 C CB SER A 52 -18.793 -1.712 9.840 1.00 0.00 +ATOM 360 O OG SER A 52 -20.029 -1.454 10.531 1.00 0.00 +ATOM 361 N N ASP A 53 -21.092 -2.590 8.829 1.00 0.00 +ATOM 362 C CA ASP A 53 -22.484 -2.842 8.476 1.00 0.00 +ATOM 363 C C ASP A 53 -23.088 -1.646 7.753 1.00 0.00 +ATOM 364 O O ASP A 53 -24.265 -1.740 7.403 1.00 0.00 +ATOM 365 C CB ASP A 53 -23.357 -3.157 9.765 1.00 0.00 +ATOM 366 C CG ASP A 53 -23.178 -2.086 10.796 1.00 0.00 +ATOM 367 O OD1 ASP A 53 -22.080 -1.865 11.300 1.00 0.00 +ATOM 368 O OD2 ASP A 53 -24.342 -1.572 11.497 1.00 0.00 +ATOM 369 N N THR A 54 -22.874 -1.573 6.444 1.00 0.00 +ATOM 370 C CA THR A 54 -23.397 -0.479 5.634 1.00 0.00 +ATOM 371 C C THR A 54 -24.453 0.308 6.399 1.00 0.00 +ATOM 372 O O THR A 54 -24.971 1.261 5.816 1.00 0.00 +ATOM 373 C CB THR A 54 -23.957 -0.986 4.280 1.00 0.00 +ATOM 374 O OG1 THR A 54 -24.488 -2.313 4.444 1.00 0.00 +ATOM 375 C CG2 THR A 54 -25.054 -0.068 3.702 1.00 0.00 +ATOM 376 N N LYS A 55 -24.435 0.195 7.723 1.00 0.00 +ATOM 377 C CA LYS A 55 -25.391 0.896 8.572 1.00 0.00 +ATOM 378 C C LYS A 55 -24.827 1.106 9.971 1.00 0.00 +ATOM 379 O O LYS A 55 -25.546 1.690 10.781 1.00 0.00 +ATOM 380 C CB LYS A 55 -26.771 0.210 8.604 1.00 0.00 +ATOM 381 C CG LYS A 55 -26.715 -1.160 9.335 1.00 0.00 +ATOM 382 C CD LYS A 55 -25.837 -2.147 8.553 1.00 0.00 +ATOM 383 C CE LYS A 55 -24.749 -2.712 9.490 1.00 0.00 +ATOM 384 N NZ LYS A 55 -23.545 -1.875 9.419 1.00 0.00 +ATOM 385 N N ALA A 56 -25.463 1.982 10.741 1.00 0.00 +ATOM 386 C CA ALA A 56 -25.026 2.275 12.101 1.00 0.00 +ATOM 387 C C ALA A 56 -25.572 1.247 13.083 1.00 0.00 +ATOM 388 O O ALA A 56 -25.269 1.391 14.268 1.00 0.00 +ATOM 389 C CB ALA A 56 -25.505 3.683 12.537 1.00 0.00 +ATOM 390 N N ALA A 57 -26.831 0.864 12.903 1.00 0.00 +ATOM 391 C CA ALA A 57 -27.474 -0.113 13.773 1.00 0.00 +ATOM 392 C C ALA A 57 -28.971 -0.182 13.503 1.00 0.00 +ATOM 393 O O ALA A 57 -29.625 -0.976 14.180 1.00 0.00 +ATOM 394 C CB ALA A 57 -27.253 0.252 15.262 1.00 0.00 +ATOM 395 N N VAL A 58 -29.715 0.782 14.036 1.00 0.00 +ATOM 396 C CA VAL A 58 -31.161 0.832 13.854 1.00 0.00 +ATOM 397 C C VAL A 58 -31.776 1.952 14.682 1.00 0.00 +ATOM 398 O O VAL A 58 -32.997 2.094 14.611 1.00 0.00 +ATOM 399 C CB VAL A 58 -31.840 -0.531 14.171 1.00 0.00 +ATOM 400 C CG2 VAL A 58 -31.068 -1.264 15.296 1.00 0.00 +ATOM 401 C CG1 VAL A 58 -33.318 -0.377 14.584 1.00 0.00 +ATOM 402 N N VAL A 59 -32.210 1.624 15.895 1.00 0.00 +ATOM 403 C CA VAL A 59 -32.820 2.601 16.788 1.00 0.00 +ATOM 404 C C VAL A 59 -32.770 3.998 16.185 1.00 0.00 +ATOM 405 O O VAL A 59 -33.256 4.912 16.851 1.00 0.00 +ATOM 406 C CB VAL A 59 -32.175 2.584 18.204 1.00 0.00 +ATOM 407 C CG2 VAL A 59 -30.672 2.224 18.102 1.00 0.00 +ATOM 408 C CG1 VAL A 59 -32.329 3.928 18.944 1.00 0.00 +ATOM 409 N N THR A 60 -32.790 5.015 17.041 1.00 0.00 +ATOM 410 C CA THR A 60 -32.746 6.402 16.594 1.00 0.00 +ATOM 411 C C THR A 60 -33.350 7.331 17.639 1.00 0.00 +ATOM 412 O O THR A 60 -33.370 8.533 17.373 1.00 0.00 +ATOM 413 C CB THR A 60 -33.445 6.583 15.222 1.00 0.00 +ATOM 414 O OG1 THR A 60 -34.521 5.635 15.099 1.00 0.00 +ATOM 415 C CG2 THR A 60 -33.998 8.008 15.013 1.00 0.00 +ATOM 416 N N THR A 61 -34.365 8.091 17.240 1.00 0.00 +ATOM 417 C CA THR A 61 -35.032 9.024 18.141 1.00 0.00 +ATOM 418 C C THR A 61 -35.708 10.145 17.364 1.00 0.00 +ATOM 419 O O THR A 61 -36.307 10.998 18.020 1.00 0.00 +ATOM 420 C CB THR A 61 -34.054 9.595 19.200 1.00 0.00 +ATOM 421 O OG1 THR A 61 -32.732 9.682 18.638 1.00 0.00 +ATOM 422 C CG2 THR A 61 -34.477 10.985 19.720 1.00 0.00 +ATOM 423 N N SER A 62 -36.585 9.778 16.435 1.00 0.00 +ATOM 424 C CA SER A 62 -37.301 10.752 15.621 1.00 0.00 +ATOM 425 C C SER A 62 -36.521 12.056 15.517 1.00 0.00 +ATOM 426 O O SER A 62 -37.028 12.959 14.852 1.00 0.00 +ATOM 427 C CB SER A 62 -38.709 11.045 16.184 1.00 0.00 +ATOM 428 O OG SER A 62 -38.656 11.034 17.622 1.00 0.00 +ATOM 429 N N LYS A 63 -37.174 13.100 15.017 1.00 0.00 +ATOM 430 C CA LYS A 63 -36.544 14.406 14.865 1.00 0.00 +ATOM 431 C C LYS A 63 -35.353 14.549 15.803 1.00 0.00 +ATOM 432 O O LYS A 63 -34.737 15.614 15.766 1.00 0.00 +ATOM 433 C CB LYS A 63 -37.542 15.569 15.019 1.00 0.00 +ATOM 434 C CG LYS A 63 -38.063 15.691 16.479 1.00 0.00 +ATOM 435 C CD LYS A 63 -38.888 14.451 16.855 1.00 0.00 +ATOM 436 C CE LYS A 63 -38.319 13.837 18.151 1.00 0.00 +ATOM 437 N NZ LYS A 63 -37.302 12.829 17.821 1.00 0.00 +ATOM 438 N N ARG A 64 -34.185 14.101 15.353 1.00 0.00 +ATOM 439 C CA ARG A 64 -32.968 14.178 16.152 1.00 0.00 +ATOM 440 C C ARG A 64 -32.753 12.897 16.945 1.00 0.00 +ATOM 441 O O ARG A 64 -31.753 12.843 17.661 1.00 0.00 +ATOM 442 C CB ARG A 64 -32.980 15.399 17.142 1.00 0.00 +ATOM 443 C CG ARG A 64 -34.408 15.941 17.300 1.00 0.00 +ATOM 444 C CD ARG A 64 -35.062 15.404 18.594 1.00 0.00 +ATOM 445 N NE ARG A 64 -34.799 13.968 18.746 1.00 0.00 +ATOM 446 C CZ ARG A 64 -33.786 13.818 19.900 1.00 0.00 +ATOM 447 N NH1 ARG A 64 -33.976 12.924 20.792 1.00 0.00 +ATOM 448 N NH2 ARG A 64 -32.505 14.537 19.856 1.00 0.00 +ATOM 449 N N LYS A 65 -32.310 13.037 18.190 1.00 0.00 +ATOM 450 C CA LYS A 65 -32.063 11.891 19.057 1.00 0.00 +ATOM 451 C C LYS A 65 -30.584 11.528 19.074 1.00 0.00 +ATOM 452 O O LYS A 65 -30.251 10.572 19.773 1.00 0.00 +ATOM 453 C CB LYS A 65 -32.949 10.680 18.706 1.00 0.00 +ATOM 454 C CG LYS A 65 -32.565 10.065 17.330 1.00 0.00 +ATOM 455 C CD LYS A 65 -32.852 11.066 16.201 1.00 0.00 +ATOM 456 C CE LYS A 65 -31.572 11.267 15.363 1.00 0.00 +ATOM 457 N NZ LYS A 65 -30.793 12.388 15.904 1.00 0.00 +ATOM 458 N N GLU A 66 -30.050 11.271 20.263 1.00 0.00 +ATOM 459 C CA GLU A 66 -28.645 10.911 20.419 1.00 0.00 +ATOM 460 C C GLU A 66 -27.751 12.136 20.285 1.00 0.00 +ATOM 461 O O GLU A 66 -26.538 11.958 20.398 1.00 0.00 +ATOM 462 C CB GLU A 66 -28.175 9.821 19.407 1.00 0.00 +ATOM 463 C CG GLU A 66 -29.177 9.687 18.240 1.00 0.00 +ATOM 464 C CD GLU A 66 -29.047 10.891 17.290 1.00 0.00 +ATOM 465 O OE1 GLU A 66 -29.655 11.917 17.533 1.00 0.00 +ATOM 466 O OE2 GLU A 66 -28.468 10.710 15.997 1.00 0.00 +ATOM 467 N N SER A 67 -28.182 13.101 19.478 1.00 0.00 +ATOM 468 C CA SER A 67 -27.421 14.325 19.262 1.00 0.00 +ATOM 469 C C SER A 67 -26.411 14.545 20.380 1.00 0.00 +ATOM 470 O O SER A 67 -25.706 15.551 20.306 1.00 0.00 +ATOM 471 C CB SER A 67 -28.342 15.561 19.159 1.00 0.00 +ATOM 472 O OG SER A 67 -29.442 15.410 20.074 1.00 0.00 +ATOM 473 N N GLU A 68 -26.641 15.569 21.194 1.00 0.00 +ATOM 474 C CA GLU A 68 -25.751 15.888 22.304 1.00 0.00 +ATOM 475 C C GLU A 68 -24.926 14.674 22.709 1.00 0.00 +ATOM 476 O O GLU A 68 -24.134 14.821 23.640 1.00 0.00 +ATOM 477 C CB GLU A 68 -26.503 16.437 23.556 1.00 0.00 +ATOM 478 C CG GLU A 68 -28.013 16.126 23.469 1.00 0.00 +ATOM 479 C CD GLU A 68 -28.263 14.632 23.741 1.00 0.00 +ATOM 480 O OE1 GLU A 68 -28.170 13.831 22.829 1.00 0.00 +ATOM 481 O OE2 GLU A 68 -28.883 14.231 24.963 1.00 0.00 +ATOM 482 N N VAL A 69 -23.909 14.356 21.915 1.00 0.00 +ATOM 483 C CA VAL A 69 -23.041 13.217 22.190 1.00 0.00 +ATOM 484 C C VAL A 69 -23.807 12.104 22.892 1.00 0.00 +ATOM 485 O O VAL A 69 -23.177 11.086 23.177 1.00 0.00 +ATOM 486 C CB VAL A 69 -21.779 13.624 23.004 1.00 0.00 +ATOM 487 C CG2 VAL A 69 -22.116 14.790 23.965 1.00 0.00 +ATOM 488 C CG1 VAL A 69 -21.191 12.450 23.814 1.00 0.00 +ATOM 489 N N ASP A 70 -23.436 11.824 24.138 1.00 0.00 +ATOM 490 C CA ASP A 70 -24.088 10.782 24.922 1.00 0.00 +ATOM 491 C C ASP A 70 -25.603 10.874 24.800 1.00 0.00 +ATOM 492 O O ASP A 70 -26.265 10.042 25.421 1.00 0.00 +ATOM 493 C CB ASP A 70 -23.690 10.882 26.457 1.00 0.00 +ATOM 494 C CG ASP A 70 -23.929 12.267 26.973 1.00 0.00 +ATOM 495 O OD1 ASP A 70 -23.329 13.233 26.507 1.00 0.00 +ATOM 496 O OD2 ASP A 70 -24.558 12.443 28.270 1.00 0.00 +ATOM 497 N N THR A 71 -26.312 10.187 25.690 1.00 0.00 +ATOM 498 C CA THR A 71 -27.770 10.190 25.685 1.00 0.00 +ATOM 499 C C THR A 71 -28.311 9.960 24.280 1.00 0.00 +ATOM 500 O O THR A 71 -29.535 9.942 24.148 1.00 0.00 +ATOM 501 C CB THR A 71 -28.342 11.497 26.291 1.00 0.00 +ATOM 502 O OG1 THR A 71 -27.442 12.588 26.022 1.00 0.00 +ATOM 503 C CG2 THR A 71 -29.742 11.849 25.748 1.00 0.00 +ATOM 504 N N VAL A 72 -27.469 10.184 23.276 1.00 0.00 +ATOM 505 C CA VAL A 72 -27.861 10.001 21.884 1.00 0.00 +ATOM 506 C C VAL A 72 -28.851 8.852 21.741 1.00 0.00 +ATOM 507 O O VAL A 72 -29.256 8.601 20.606 1.00 0.00 +ATOM 508 C CB VAL A 72 -26.633 9.796 20.950 1.00 0.00 +ATOM 509 C CG2 VAL A 72 -25.507 9.049 21.707 1.00 0.00 +ATOM 510 C CG1 VAL A 72 -26.987 9.019 19.666 1.00 0.00 +ATOM 511 N N ALA A 73 -28.526 7.894 20.880 1.00 0.00 +ATOM 512 C CA ALA A 73 -29.386 6.739 20.649 1.00 0.00 +ATOM 513 C C ALA A 73 -29.669 6.556 19.164 1.00 0.00 +ATOM 514 O O ALA A 73 -30.387 5.609 18.844 1.00 0.00 +ATOM 515 C CB ALA A 73 -30.734 6.904 21.396 1.00 0.00 +ATOM 516 N N PRO A 74 -28.692 6.895 18.329 1.00 0.00 +ATOM 517 C CA PRO A 74 -28.834 6.769 16.883 1.00 0.00 +ATOM 518 C C PRO A 74 -27.498 6.437 16.231 1.00 0.00 +ATOM 519 O O PRO A 74 -27.491 6.306 15.007 1.00 0.00 +ATOM 520 C CB PRO A 74 -29.380 8.090 16.284 1.00 0.00 +ATOM 521 C CG PRO A 74 -29.395 9.117 17.441 1.00 0.00 +ATOM 522 C CD PRO A 74 -28.964 8.386 18.717 1.00 0.00 +ATOM 523 N N SER A 75 -27.544 5.987 14.981 1.00 0.00 +ATOM 524 C CA SER A 75 -26.338 5.633 14.242 1.00 0.00 +ATOM 525 C C SER A 75 -26.150 6.543 13.035 1.00 0.00 +ATOM 526 O O SER A 75 -25.162 6.340 12.330 1.00 0.00 +ATOM 527 C CB SER A 75 -26.366 4.163 13.771 1.00 0.00 +ATOM 528 O OG SER A 75 -27.710 3.810 13.397 1.00 0.00 +ATOM 529 N N VAL A 76 -26.618 7.782 13.148 1.00 0.00 +ATOM 530 C CA VAL A 76 -26.503 8.753 12.066 1.00 0.00 +ATOM 531 C C VAL A 76 -25.676 9.957 12.499 1.00 0.00 +ATOM 532 O O VAL A 76 -25.509 10.848 11.666 1.00 0.00 +ATOM 533 C CB VAL A 76 -27.892 9.197 11.526 1.00 0.00 +ATOM 534 C CG2 VAL A 76 -28.935 9.198 12.672 1.00 0.00 +ATOM 535 C CG1 VAL A 76 -27.856 10.592 10.869 1.00 0.00 +ATOM 536 N N ASP A 77 -25.440 10.878 11.571 1.00 0.00 +ATOM 537 C CA ASP A 77 -24.662 12.079 11.854 1.00 0.00 +ATOM 538 C C ASP A 77 -23.363 11.731 12.569 1.00 0.00 +ATOM 539 O O ASP A 77 -22.619 12.667 12.862 1.00 0.00 +ATOM 540 C CB ASP A 77 -25.485 13.098 12.754 1.00 0.00 +ATOM 541 C CG ASP A 77 -26.011 12.414 13.977 1.00 0.00 +ATOM 542 O OD1 ASP A 77 -26.803 11.478 13.893 1.00 0.00 +ATOM 543 O OD2 ASP A 77 -25.915 13.083 15.262 1.00 0.00 +ATOM 544 N N ARG A 78 -22.342 12.560 12.379 1.00 0.00 +ATOM 545 C CA ARG A 78 -21.043 12.343 13.005 1.00 0.00 +ATOM 546 C C ARG A 78 -21.181 12.212 14.516 1.00 0.00 +ATOM 547 O O ARG A 78 -20.147 12.025 15.157 1.00 0.00 +ATOM 548 C CB ARG A 78 -20.024 13.494 12.680 1.00 0.00 +ATOM 549 C CG ARG A 78 -20.766 14.724 12.139 1.00 0.00 +ATOM 550 C CD ARG A 78 -20.976 15.776 13.254 1.00 0.00 +ATOM 551 N NE ARG A 78 -21.428 15.130 14.492 1.00 0.00 +ATOM 552 C CZ ARG A 78 -20.245 15.185 15.482 1.00 0.00 +ATOM 553 N NH1 ARG A 78 -20.454 15.532 16.693 1.00 0.00 +ATOM 554 N NH2 ARG A 78 -18.938 14.631 15.103 1.00 0.00 +ATOM 555 N N GLY A 79 -21.550 11.022 14.977 1.00 0.00 +ATOM 556 C CA GLY A 79 -21.719 10.763 16.402 1.00 0.00 +ATOM 557 C C GLY A 79 -20.370 10.689 17.106 1.00 0.00 +ATOM 558 O O GLY A 79 -20.384 10.474 18.318 1.00 0.00 +ATOM 559 N N VAL A 80 -20.347 10.065 18.279 1.00 0.00 +ATOM 560 C CA VAL A 80 -19.121 9.925 19.056 1.00 0.00 +ATOM 561 C C VAL A 80 -19.363 10.260 20.522 1.00 0.00 +ATOM 562 O O VAL A 80 -18.397 10.177 21.281 1.00 0.00 +ATOM 563 C CB VAL A 80 -17.957 10.778 18.475 1.00 0.00 +ATOM 564 C CG2 VAL A 80 -18.514 12.076 17.838 1.00 0.00 +ATOM 565 C CG1 VAL A 80 -16.901 11.144 19.537 1.00 0.00