MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

text stringlengths 6 81
ATOM 128 C PRO A 20 8.698 0.805 -4.578 1.00 90.84 C
ATOM 129 O PRO A 20 7.859 0.998 -5.447 1.00 89.79 O
ATOM 130 CB PRO A 20 9.085 -1.558 -3.811 1.00 88.21 C
ATOM 131 CG PRO A 20 7.983 -2.303 -4.451 1.00 86.92 C
ATOM 132 CD PRO A 20 6.724 -1.853 -3.770 1.00 88.18 C
HETATM 133 N HYP A 21 9.825 1.454 -4.534 1.00 87.98 N
HETATM 134 CA HYP A 21 10.212 2.353 -5.573 1.00 89.37 C
HETATM 135 C HYP A 21 10.227 1.713 -6.955 1.00 88.17 C
HETATM 136 O HYP A 21 10.552 0.525 -7.041 1.00 91.43 O
HETATM 137 CB HYP A 21 11.589 2.794 -5.178 1.00 86.98 C
HETATM 138 CG HYP A 21 11.597 2.630 -3.686 1.00 85.67 C
HETATM 139 CD HYP A 21 10.812 1.388 -3.464 1.00 88.57 C
HETATM 140 OD1 HYP A 21 10.899 3.702 -3.056 1.00 88.65 O
ATOM 141 N GLY A 22 9.777 2.417 -7.939 1.00 90.33 N
ATOM 142 CA GLY A 22 9.808 1.928 -9.284 1.00 89.36 C
ATOM 143 C GLY A 22 11.229 1.795 -9.796 1.00 89.43 C
ATOM 144 O GLY A 22 12.185 2.156 -9.110 1.00 88.26 O
ATOM 145 N PRO A 23 11.377 1.286 -11.003 1.00 91.12 N
ATOM 146 CA PRO A 23 12.710 1.134 -11.570 1.00 91.16 C
ATOM 147 C PRO A 23 13.334 2.486 -11.849 1.00 90.63 C
ATOM 148 O PRO A 23 12.647 3.488 -12.016 1.00 87.80 O
ATOM 149 CB PRO A 23 12.462 0.352 -12.855 1.00 88.21 C
ATOM 150 CG PRO A 23 11.069 0.699 -13.228 1.00 86.54 C
ATOM 151 CD PRO A 23 10.334 0.875 -11.933 1.00 88.44 C
HETATM 152 N HYP A 24 14.600 2.552 -11.936 1.00 89.45 N
HETATM 153 CA HYP A 24 15.230 3.803 -12.234 1.00 84.43 C
HETATM 154 C HYP A 24 14.521 4.577 -13.276 1.00 83.47 C
HETATM 155 O HYP A 24 14.735 4.333 -14.473 1.00 85.28 O
HETATM 156 CB HYP A 24 16.662 3.467 -12.517 1.00 87.32 C
HETATM 157 CG HYP A 24 16.897 2.163 -11.851 1.00 86.01 C
HETATM 158 CD HYP A 24 15.553 1.457 -11.901 1.00 88.29 C
HETATM 159 OD1 HYP A 24 17.220 2.376 -10.477 1.00 85.35 O
HETATM 160 OXT HYP A 24 13.687 5.382 -12.813 1.00 83.99 O
TER 161 HYP A 24
END
ATOM 1 N GLY A 1 18.144 -29.882 5.805 1.00 81.30 N
ATOM 2 CA GLY A 1 18.651 -28.525 6.008 1.00 83.92 C
ATOM 3 C GLY A 1 17.585 -27.615 6.557 1.00 84.54 C
ATOM 4 O GLY A 1 16.412 -27.986 6.625 1.00 82.41 O
ATOM 5 N PRO A 2 17.935 -26.383 6.950 1.00 86.62 N
ATOM 6 CA PRO A 2 16.956 -25.443 7.504 1.00 89.68 C
ATOM 7 C PRO A 2 15.994 -24.935 6.443 1.00 89.70 C
ATOM 8 O PRO A 2 16.293 -24.946 5.252 1.00 88.38 O
ATOM 9 CB PRO A 2 17.833 -24.315 8.062 1.00 87.39 C
ATOM 10 CG PRO A 2 19.034 -24.348 7.185 1.00 82.15 C
ATOM 11 CD PRO A 2 19.284 -25.818 6.933 1.00 82.72 C
HETATM 12 N HYP A 3 14.911 -24.573 6.846 1.00 86.67 N
HETATM 13 CA HYP A 3 13.855 -23.903 5.968 1.00 84.76 C
HETATM 14 C HYP A 3 14.342 -22.634 5.298 1.00 86.58 C
HETATM 15 O HYP A 3 15.170 -21.907 5.862 1.00 85.99 O
HETATM 16 CB HYP A 3 12.769 -23.605 6.993 1.00 85.17 C
HETATM 17 CG HYP A 3 12.981 -24.571 8.162 1.00 82.91 C
HETATM 18 CD HYP A 3 14.525 -24.680 8.243 1.00 85.63 C
HETATM 19 OD1 HYP A 3 12.473 -25.835 7.864 1.00 85.76 O
ATOM 20 N GLY A 4 13.831 -22.343 4.121 1.00 87.22 N
ATOM 21 CA GLY A 4 14.176 -21.134 3.413 1.00 85.67 C
ATOM 22 C GLY A 4 13.519 -19.928 4.066 1.00 85.44 C
ATOM 23 O GLY A 4 12.651 -20.069 4.929 1.00 85.85 O
ATOM 24 N PRO A 5 13.906 -18.728 3.656 1.00 87.64 N
ATOM 25 CA PRO A 5 13.332 -17.513 4.232 1.00 88.59 C
ATOM 26 C PRO A 5 11.902 -17.284 3.763 1.00 88.30 C
ATOM 27 O PRO A 5 11.488 -17.785 2.720 1.00 86.92 O
ATOM 28 CB PRO A 5 14.271 -16.411 3.745 1.00 86.45 C
ATOM 29 CG PRO A 5 14.738 -16.937 2.428 1.00 84.00 C
ATOM 30 CD PRO A 5 14.928 -18.425 2.662 1.00 85.28 C
HETATM 31 N HYP A 6 11.149 -16.564 4.561 1.00 87.88 N
HETATM 32 CA HYP A 6 9.792 -16.127 4.122 1.00 89.26 C
HETATM 33 C HYP A 6 9.802 -15.310 2.877 1.00 86.75 C
HETATM 34 O HYP A 6 10.783 -14.596 2.583 1.00 84.44 O
HETATM 35 CB HYP A 6 9.337 -15.283 5.353 1.00 84.66 C
HETATM 36 CG HYP A 6 10.086 -15.817 6.535 1.00 83.98 C
HETATM 37 CD HYP A 6 11.437 -16.129 5.921 1.00 86.54 C
HETATM 38 OD1 HYP A 6 9.507 -16.998 7.041 1.00 83.85 O
ATOM 39 N GLY A 7 8.731 -15.344 2.073 1.00 89.62 N
ATOM 40 CA GLY A 7 8.611 -14.589 0.849 1.00 87.86 C
ATOM 41 C GLY A 7 8.488 -13.105 1.133 1.00 87.83 C
ATOM 42 O GLY A 7 8.305 -12.683 2.278 1.00 87.50 O
ATOM 43 N PRO A 8 8.576 -12.285 0.094 1.00 85.14 N
ATOM 44 CA PRO A 8 8.481 -10.840 0.271 1.00 86.07 C
ATOM 45 C PRO A 8 7.058 -10.409 0.620 1.00 85.23 C
ATOM 46 O PRO A 8 6.096 -11.125 0.349 1.00 84.05 O
ATOM 47 CB PRO A 8 8.928 -10.282 -1.077 1.00 84.16 C
ATOM 48 CG PRO A 8 8.518 -11.356 -2.030 1.00 83.32 C
ATOM 49 CD PRO A 8 8.818 -12.642 -1.292 1.00 84.42 C
HETATM 50 N HYP A 9 6.918 -9.234 1.212 1.00 80.97 N
HETATM 51 CA HYP A 9 5.604 -8.668 1.482 1.00 85.69 C
HETATM 52 C HYP A 9 4.841 -8.423 0.252 1.00 82.95 C
HETATM 53 O HYP A 9 5.396 -8.107 -0.788 1.00 79.85 O
HETATM 54 CB HYP A 9 5.987 -7.329 2.172 1.00 81.26 C
HETATM 55 CG HYP A 9 7.350 -7.532 2.735 1.00 80.42 C
HETATM 56 CD HYP A 9 7.977 -8.424 1.732 1.00 83.50 C
HETATM 57 OD1 HYP A 9 7.295 -8.184 3.996 1.00 81.81 O
ATOM 58 N GLY A 10 3.499 -8.461 0.336 1.00 84.44 N
ATOM 59 CA GLY A 10 2.622 -8.213 -0.782 1.00 81.68 C
ATOM 60 C GLY A 10 2.733 -6.776 -1.271 1.00 81.50 C
ATOM 61 O GLY A 10 3.367 -5.936 -0.631 1.00 80.40 O
ATOM 62 N PRO A 11 2.090 -6.469 -2.404 1.00 81.89 N
ATOM 63 CA PRO A 11 2.157 -5.114 -2.949 1.00 82.24 C
ATOM 64 C PRO A 11 1.384 -4.110 -2.105 1.00 80.69 C
ATOM 65 O PRO A 11 0.452 -4.455 -1.382 1.00 79.04 O

ATOM 128 C PRO A 20 8.698 0.805 -4.578 1.00 90.84 C

ATOM 129 O PRO A 20 7.859 0.998 -5.447 1.00 89.79 O

ATOM 130 CB PRO A 20 9.085 -1.558 -3.811 1.00 88.21 C

ATOM 131 CG PRO A 20 7.983 -2.303 -4.451 1.00 86.92 C

ATOM 132 CD PRO A 20 6.724 -1.853 -3.770 1.00 88.18 C

HETATM 133 N HYP A 21 9.825 1.454 -4.534 1.00 87.98 N

HETATM 134 CA HYP A 21 10.212 2.353 -5.573 1.00 89.37 C

HETATM 135 C HYP A 21 10.227 1.713 -6.955 1.00 88.17 C

HETATM 136 O HYP A 21 10.552 0.525 -7.041 1.00 91.43 O

HETATM 137 CB HYP A 21 11.589 2.794 -5.178 1.00 86.98 C

HETATM 138 CG HYP A 21 11.597 2.630 -3.686 1.00 85.67 C

HETATM 139 CD HYP A 21 10.812 1.388 -3.464 1.00 88.57 C

HETATM 140 OD1 HYP A 21 10.899 3.702 -3.056 1.00 88.65 O

ATOM 141 N GLY A 22 9.777 2.417 -7.939 1.00 90.33 N

ATOM 142 CA GLY A 22 9.808 1.928 -9.284 1.00 89.36 C

ATOM 143 C GLY A 22 11.229 1.795 -9.796 1.00 89.43 C

ATOM 144 O GLY A 22 12.185 2.156 -9.110 1.00 88.26 O

ATOM 145 N PRO A 23 11.377 1.286 -11.003 1.00 91.12 N

ATOM 146 CA PRO A 23 12.710 1.134 -11.570 1.00 91.16 C

ATOM 147 C PRO A 23 13.334 2.486 -11.849 1.00 90.63 C

ATOM 148 O PRO A 23 12.647 3.488 -12.016 1.00 87.80 O

ATOM 149 CB PRO A 23 12.462 0.352 -12.855 1.00 88.21 C

ATOM 150 CG PRO A 23 11.069 0.699 -13.228 1.00 86.54 C

ATOM 151 CD PRO A 23 10.334 0.875 -11.933 1.00 88.44 C

HETATM 152 N HYP A 24 14.600 2.552 -11.936 1.00 89.45 N

HETATM 153 CA HYP A 24 15.230 3.803 -12.234 1.00 84.43 C

HETATM 154 C HYP A 24 14.521 4.577 -13.276 1.00 83.47 C

HETATM 155 O HYP A 24 14.735 4.333 -14.473 1.00 85.28 O

HETATM 156 CB HYP A 24 16.662 3.467 -12.517 1.00 87.32 C

HETATM 157 CG HYP A 24 16.897 2.163 -11.851 1.00 86.01 C

HETATM 158 CD HYP A 24 15.553 1.457 -11.901 1.00 88.29 C

HETATM 159 OD1 HYP A 24 17.220 2.376 -10.477 1.00 85.35 O

HETATM 160 OXT HYP A 24 13.687 5.382 -12.813 1.00 83.99 O

TER 161 HYP A 24

END

ATOM 1 N GLY A 1 18.144 -29.882 5.805 1.00 81.30 N

ATOM 2 CA GLY A 1 18.651 -28.525 6.008 1.00 83.92 C

ATOM 3 C GLY A 1 17.585 -27.615 6.557 1.00 84.54 C

ATOM 4 O GLY A 1 16.412 -27.986 6.625 1.00 82.41 O

ATOM 5 N PRO A 2 17.935 -26.383 6.950 1.00 86.62 N

ATOM 6 CA PRO A 2 16.956 -25.443 7.504 1.00 89.68 C

ATOM 7 C PRO A 2 15.994 -24.935 6.443 1.00 89.70 C

ATOM 8 O PRO A 2 16.293 -24.946 5.252 1.00 88.38 O

ATOM 9 CB PRO A 2 17.833 -24.315 8.062 1.00 87.39 C

ATOM 10 CG PRO A 2 19.034 -24.348 7.185 1.00 82.15 C

ATOM 11 CD PRO A 2 19.284 -25.818 6.933 1.00 82.72 C

HETATM 12 N HYP A 3 14.911 -24.573 6.846 1.00 86.67 N

HETATM 13 CA HYP A 3 13.855 -23.903 5.968 1.00 84.76 C

HETATM 14 C HYP A 3 14.342 -22.634 5.298 1.00 86.58 C

HETATM 15 O HYP A 3 15.170 -21.907 5.862 1.00 85.99 O

HETATM 16 CB HYP A 3 12.769 -23.605 6.993 1.00 85.17 C

HETATM 17 CG HYP A 3 12.981 -24.571 8.162 1.00 82.91 C

HETATM 18 CD HYP A 3 14.525 -24.680 8.243 1.00 85.63 C

HETATM 19 OD1 HYP A 3 12.473 -25.835 7.864 1.00 85.76 O

ATOM 20 N GLY A 4 13.831 -22.343 4.121 1.00 87.22 N

ATOM 21 CA GLY A 4 14.176 -21.134 3.413 1.00 85.67 C

ATOM 22 C GLY A 4 13.519 -19.928 4.066 1.00 85.44 C

ATOM 23 O GLY A 4 12.651 -20.069 4.929 1.00 85.85 O

ATOM 24 N PRO A 5 13.906 -18.728 3.656 1.00 87.64 N

ATOM 25 CA PRO A 5 13.332 -17.513 4.232 1.00 88.59 C

ATOM 26 C PRO A 5 11.902 -17.284 3.763 1.00 88.30 C

ATOM 27 O PRO A 5 11.488 -17.785 2.720 1.00 86.92 O

ATOM 28 CB PRO A 5 14.271 -16.411 3.745 1.00 86.45 C

ATOM 29 CG PRO A 5 14.738 -16.937 2.428 1.00 84.00 C

ATOM 30 CD PRO A 5 14.928 -18.425 2.662 1.00 85.28 C

HETATM 31 N HYP A 6 11.149 -16.564 4.561 1.00 87.88 N

HETATM 32 CA HYP A 6 9.792 -16.127 4.122 1.00 89.26 C

HETATM 33 C HYP A 6 9.802 -15.310 2.877 1.00 86.75 C

HETATM 34 O HYP A 6 10.783 -14.596 2.583 1.00 84.44 O

HETATM 35 CB HYP A 6 9.337 -15.283 5.353 1.00 84.66 C

HETATM 36 CG HYP A 6 10.086 -15.817 6.535 1.00 83.98 C

HETATM 37 CD HYP A 6 11.437 -16.129 5.921 1.00 86.54 C

HETATM 38 OD1 HYP A 6 9.507 -16.998 7.041 1.00 83.85 O

ATOM 39 N GLY A 7 8.731 -15.344 2.073 1.00 89.62 N

ATOM 40 CA GLY A 7 8.611 -14.589 0.849 1.00 87.86 C

ATOM 41 C GLY A 7 8.488 -13.105 1.133 1.00 87.83 C

ATOM 42 O GLY A 7 8.305 -12.683 2.278 1.00 87.50 O

ATOM 43 N PRO A 8 8.576 -12.285 0.094 1.00 85.14 N

ATOM 44 CA PRO A 8 8.481 -10.840 0.271 1.00 86.07 C

ATOM 45 C PRO A 8 7.058 -10.409 0.620 1.00 85.23 C

ATOM 46 O PRO A 8 6.096 -11.125 0.349 1.00 84.05 O

ATOM 47 CB PRO A 8 8.928 -10.282 -1.077 1.00 84.16 C

ATOM 48 CG PRO A 8 8.518 -11.356 -2.030 1.00 83.32 C

ATOM 49 CD PRO A 8 8.818 -12.642 -1.292 1.00 84.42 C

HETATM 50 N HYP A 9 6.918 -9.234 1.212 1.00 80.97 N

HETATM 51 CA HYP A 9 5.604 -8.668 1.482 1.00 85.69 C

HETATM 52 C HYP A 9 4.841 -8.423 0.252 1.00 82.95 C

HETATM 53 O HYP A 9 5.396 -8.107 -0.788 1.00 79.85 O

HETATM 54 CB HYP A 9 5.987 -7.329 2.172 1.00 81.26 C

HETATM 55 CG HYP A 9 7.350 -7.532 2.735 1.00 80.42 C

HETATM 56 CD HYP A 9 7.977 -8.424 1.732 1.00 83.50 C

HETATM 57 OD1 HYP A 9 7.295 -8.184 3.996 1.00 81.81 O

ATOM 58 N GLY A 10 3.499 -8.461 0.336 1.00 84.44 N

ATOM 59 CA GLY A 10 2.622 -8.213 -0.782 1.00 81.68 C

ATOM 60 C GLY A 10 2.733 -6.776 -1.271 1.00 81.50 C

ATOM 61 O GLY A 10 3.367 -5.936 -0.631 1.00 80.40 O

ATOM 62 N PRO A 11 2.090 -6.469 -2.404 1.00 81.89 N

ATOM 63 CA PRO A 11 2.157 -5.114 -2.949 1.00 82.24 C

ATOM 64 C PRO A 11 1.384 -4.110 -2.105 1.00 80.69 C

ATOM 65 O PRO A 11 0.452 -4.455 -1.382 1.00 79.04 O