MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

text stringlengths 6 81
ATOM 158 NE2 GLN A 24 17.527 -14.425 -49.260 1.00 54.39 N
ATOM 159 N GLY A 25 22.236 -11.587 -49.927 1.00 57.04 N
ATOM 160 CA GLY A 25 22.743 -10.840 -48.779 1.00 57.12 C
ATOM 161 C GLY A 25 22.483 -11.584 -47.465 1.00 57.64 C
ATOM 162 O GLY A 25 21.513 -12.327 -47.336 1.00 55.51 O
ATOM 163 N LEU A 26 23.367 -11.374 -46.503 1.00 59.84 N
ATOM 164 CA LEU A 26 23.201 -11.946 -45.163 1.00 63.07 C
ATOM 165 C LEU A 26 21.941 -11.378 -44.495 1.00 63.21 C
ATOM 166 O LEU A 26 21.611 -10.203 -44.658 1.00 61.54 O
ATOM 167 CB LEU A 26 24.449 -11.675 -44.298 1.00 61.23 C
ATOM 168 CG LEU A 26 25.742 -12.359 -44.794 1.00 57.03 C
ATOM 169 CD1 LEU A 26 26.929 -11.932 -43.923 1.00 54.78 C
ATOM 170 CD2 LEU A 26 25.653 -13.888 -44.745 1.00 53.39 C
ATOM 171 N GLN A 27 21.264 -12.208 -43.690 1.00 64.12 N
ATOM 172 CA GLN A 27 20.124 -11.792 -42.882 1.00 67.02 C
ATOM 173 C GLN A 27 20.528 -10.679 -41.910 1.00 65.48 C
ATOM 174 O GLN A 27 21.595 -10.740 -41.292 1.00 61.96 O
ATOM 175 CB GLN A 27 19.557 -13.019 -42.172 1.00 65.41 C
ATOM 176 CG GLN A 27 18.226 -12.715 -41.464 1.00 61.67 C
ATOM 177 CD GLN A 27 17.553 -13.966 -40.900 1.00 59.88 C
ATOM 178 OE1 GLN A 27 18.167 -14.989 -40.663 1.00 58.11 O
ATOM 179 NE2 GLN A 27 16.269 -13.914 -40.652 1.00 53.95 N
ATOM 180 N GLY A 28 19.675 -9.662 -41.753 1.00 57.72 N
ATOM 181 CA GLY A 28 19.879 -8.592 -40.781 1.00 58.11 C
ATOM 182 C GLY A 28 19.926 -9.130 -39.346 1.00 59.44 C
ATOM 183 O GLY A 28 19.252 -10.094 -39.001 1.00 57.52 O
ATOM 184 N LEU A 29 20.727 -8.483 -38.495 1.00 61.20 N
ATOM 185 CA LEU A 29 20.793 -8.830 -37.072 1.00 64.18 C
ATOM 186 C LEU A 29 19.440 -8.563 -36.392 1.00 65.03 C
ATOM 187 O LEU A 29 18.733 -7.610 -36.725 1.00 63.38 O
ATOM 188 CB LEU A 29 21.921 -8.054 -36.378 1.00 62.05 C
ATOM 189 CG LEU A 29 23.350 -8.397 -36.867 1.00 57.88 C
ATOM 190 CD1 LEU A 29 24.365 -7.503 -36.174 1.00 55.48 C
ATOM 191 CD2 LEU A 29 23.720 -9.851 -36.596 1.00 54.21 C
ATOM 192 N GLN A 30 19.104 -9.380 -35.401 1.00 65.80 N
ATOM 193 CA GLN A 30 17.920 -9.186 -34.585 1.00 69.24 C
ATOM 194 C GLN A 30 17.992 -7.847 -33.832 1.00 68.07 C
ATOM 195 O GLN A 30 19.049 -7.482 -33.319 1.00 64.66 O
ATOM 196 CB GLN A 30 17.778 -10.386 -33.635 1.00 66.75 C
ATOM 197 CG GLN A 30 16.438 -10.383 -32.879 1.00 62.06 C
ATOM 198 CD GLN A 30 16.194 -11.667 -32.106 1.00 59.54 C
ATOM 199 OE1 GLN A 30 17.075 -12.450 -31.814 1.00 58.14 O
ATOM 200 NE2 GLN A 30 14.966 -11.926 -31.709 1.00 54.50 N
ATOM 201 N GLY A 31 16.868 -7.129 -33.747 1.00 60.00 N
ATOM 202 CA GLY A 31 16.768 -5.892 -32.976 1.00 60.40 C
ATOM 203 C GLY A 31 17.062 -6.114 -31.488 1.00 62.83 C
ATOM 204 O GLY A 31 16.749 -7.160 -30.919 1.00 60.77 O
ATOM 205 N GLU A 32 17.661 -5.094 -30.852 1.00 59.31 N
ATOM 206 CA GLU A 32 17.928 -5.126 -29.412 1.00 64.13 C
ATOM 207 C GLU A 32 16.619 -5.168 -28.605 1.00 64.24 C
ATOM 208 O GLU A 32 15.581 -4.635 -29.006 1.00 63.47 O
ATOM 209 CB GLU A 32 18.789 -3.930 -28.989 1.00 62.12 C
ATOM 210 CG GLU A 32 20.218 -4.010 -29.586 1.00 57.13 C
ATOM 211 CD GLU A 32 21.132 -2.845 -29.161 1.00 54.16 C
ATOM 212 OE1 GLU A 32 22.358 -2.993 -29.351 1.00 51.79 O
ATOM 213 OE2 GLU A 32 20.604 -1.810 -28.718 1.00 49.85 O
ATOM 214 N ARG A 33 16.670 -5.815 -27.440 1.00 63.09 N
ATOM 215 CA ARG A 33 15.531 -5.882 -26.521 1.00 66.97 C
ATOM 216 C ARG A 33 15.235 -4.492 -25.949 1.00 65.66 C
ATOM 217 O ARG A 33 16.161 -3.782 -25.561 1.00 62.47 O
ATOM 218 CB ARG A 33 15.836 -6.913 -25.424 1.00 64.84 C
ATOM 219 CG ARG A 33 14.605 -7.242 -24.577 1.00 59.73 C
ATOM 220 CD ARG A 33 14.928 -8.398 -23.635 1.00 60.17 C
ATOM 221 NE ARG A 33 13.723 -8.869 -22.921 1.00 57.92 N
ATOM 222 CZ ARG A 33 13.688 -9.715 -21.910 1.00 53.01 C
ATOM 223 NH1 ARG A 33 14.766 -10.245 -21.421 1.00 52.37 N
ATOM 224 NH2 ARG A 33 12.549 -10.034 -21.370 1.00 51.52 N
ATOM 225 N GLY A 34 13.954 -4.112 -25.860 1.00 57.98 N
ATOM 226 CA GLY A 34 13.537 -2.850 -25.250 1.00 58.25 C
ATOM 227 C GLY A 34 13.958 -2.736 -23.786 1.00 60.32 C
ATOM 228 O GLY A 34 14.040 -3.731 -23.060 1.00 58.43 O
ATOM 229 N GLU A 35 14.229 -1.495 -23.345 1.00 57.19 N
ATOM 230 CA GLU A 35 14.559 -1.210 -21.946 1.00 61.88 C
ATOM 231 C GLU A 35 13.370 -1.504 -21.024 1.00 61.53 C
ATOM 232 O GLU A 35 12.203 -1.373 -21.388 1.00 60.58 O
ATOM 233 CB GLU A 35 15.038 0.238 -21.770 1.00 60.29 C
ATOM 234 CG GLU A 35 16.396 0.503 -22.456 1.00 55.51 C
ATOM 235 CD GLU A 35 16.943 1.926 -22.213 1.00 52.96 C
ATOM 236 OE1 GLU A 35 18.100 2.174 -22.614 1.00 50.46 O
ATOM 237 OE2 GLU A 35 16.205 2.762 -21.638 1.00 48.35 O
ATOM 238 N GLN A 36 13.668 -1.905 -19.793 1.00 58.85 N
ATOM 239 CA GLN A 36 12.643 -2.163 -18.788 1.00 61.29 C
ATOM 240 C GLN A 36 12.002 -0.855 -18.319 1.00 59.88 C
ATOM 241 O GLN A 36 12.709 0.100 -18.033 1.00 57.42 O
ATOM 242 CB GLN A 36 13.274 -2.957 -17.637 1.00 60.83 C
ATOM 243 CG GLN A 36 12.220 -3.429 -16.632 1.00 57.57 C
ATOM 244 CD GLN A 36 12.733 -4.511 -15.693 1.00 55.86 C
ATOM 245 OE1 GLN A 36 13.918 -4.752 -15.522 1.00 56.74 O
ATOM 246 NE2 GLN A 36 11.854 -5.218 -15.025 1.00 52.80 N
ATOM 247 N GLY A 37 10.670 -0.831 -18.184 1.00 54.99 N
ATOM 248 CA GLY A 37 9.945 0.331 -17.676 1.00 55.55 C
ATOM 249 C GLY A 37 10.345 0.702 -16.241 1.00 56.01 C
ATOM 250 O GLY A 37 10.752 -0.160 -15.460 1.00 54.61 O
ATOM 251 N PRO A 38 10.214 2.000 -15.869 1.00 54.97 N
ATOM 252 CA PRO A 38 10.519 2.456 -14.520 1.00 56.91 C
ATOM 253 C PRO A 38 9.567 1.840 -13.487 1.00 55.63 C
ATOM 254 O PRO A 38 8.416 1.524 -13.774 1.00 55.23 O
ATOM 255 CB PRO A 38 10.417 3.983 -14.567 1.00 56.70 C
ATOM 256 CG PRO A 38 9.410 4.233 -15.685 1.00 54.65 C
ATOM 257 CD PRO A 38 9.717 3.099 -16.677 1.00 55.79 C

ATOM 158 NE2 GLN A 24 17.527 -14.425 -49.260 1.00 54.39 N

ATOM 159 N GLY A 25 22.236 -11.587 -49.927 1.00 57.04 N

ATOM 160 CA GLY A 25 22.743 -10.840 -48.779 1.00 57.12 C

ATOM 161 C GLY A 25 22.483 -11.584 -47.465 1.00 57.64 C

ATOM 162 O GLY A 25 21.513 -12.327 -47.336 1.00 55.51 O

ATOM 163 N LEU A 26 23.367 -11.374 -46.503 1.00 59.84 N

ATOM 164 CA LEU A 26 23.201 -11.946 -45.163 1.00 63.07 C

ATOM 165 C LEU A 26 21.941 -11.378 -44.495 1.00 63.21 C

ATOM 166 O LEU A 26 21.611 -10.203 -44.658 1.00 61.54 O

ATOM 167 CB LEU A 26 24.449 -11.675 -44.298 1.00 61.23 C

ATOM 168 CG LEU A 26 25.742 -12.359 -44.794 1.00 57.03 C

ATOM 169 CD1 LEU A 26 26.929 -11.932 -43.923 1.00 54.78 C

ATOM 170 CD2 LEU A 26 25.653 -13.888 -44.745 1.00 53.39 C

ATOM 171 N GLN A 27 21.264 -12.208 -43.690 1.00 64.12 N

ATOM 172 CA GLN A 27 20.124 -11.792 -42.882 1.00 67.02 C

ATOM 173 C GLN A 27 20.528 -10.679 -41.910 1.00 65.48 C

ATOM 174 O GLN A 27 21.595 -10.740 -41.292 1.00 61.96 O

ATOM 175 CB GLN A 27 19.557 -13.019 -42.172 1.00 65.41 C

ATOM 176 CG GLN A 27 18.226 -12.715 -41.464 1.00 61.67 C

ATOM 177 CD GLN A 27 17.553 -13.966 -40.900 1.00 59.88 C

ATOM 178 OE1 GLN A 27 18.167 -14.989 -40.663 1.00 58.11 O

ATOM 179 NE2 GLN A 27 16.269 -13.914 -40.652 1.00 53.95 N

ATOM 180 N GLY A 28 19.675 -9.662 -41.753 1.00 57.72 N

ATOM 181 CA GLY A 28 19.879 -8.592 -40.781 1.00 58.11 C

ATOM 182 C GLY A 28 19.926 -9.130 -39.346 1.00 59.44 C

ATOM 183 O GLY A 28 19.252 -10.094 -39.001 1.00 57.52 O

ATOM 184 N LEU A 29 20.727 -8.483 -38.495 1.00 61.20 N

ATOM 185 CA LEU A 29 20.793 -8.830 -37.072 1.00 64.18 C

ATOM 186 C LEU A 29 19.440 -8.563 -36.392 1.00 65.03 C

ATOM 187 O LEU A 29 18.733 -7.610 -36.725 1.00 63.38 O

ATOM 188 CB LEU A 29 21.921 -8.054 -36.378 1.00 62.05 C

ATOM 189 CG LEU A 29 23.350 -8.397 -36.867 1.00 57.88 C

ATOM 190 CD1 LEU A 29 24.365 -7.503 -36.174 1.00 55.48 C

ATOM 191 CD2 LEU A 29 23.720 -9.851 -36.596 1.00 54.21 C

ATOM 192 N GLN A 30 19.104 -9.380 -35.401 1.00 65.80 N

ATOM 193 CA GLN A 30 17.920 -9.186 -34.585 1.00 69.24 C

ATOM 194 C GLN A 30 17.992 -7.847 -33.832 1.00 68.07 C

ATOM 195 O GLN A 30 19.049 -7.482 -33.319 1.00 64.66 O

ATOM 196 CB GLN A 30 17.778 -10.386 -33.635 1.00 66.75 C

ATOM 197 CG GLN A 30 16.438 -10.383 -32.879 1.00 62.06 C

ATOM 198 CD GLN A 30 16.194 -11.667 -32.106 1.00 59.54 C

ATOM 199 OE1 GLN A 30 17.075 -12.450 -31.814 1.00 58.14 O

ATOM 200 NE2 GLN A 30 14.966 -11.926 -31.709 1.00 54.50 N

ATOM 201 N GLY A 31 16.868 -7.129 -33.747 1.00 60.00 N

ATOM 202 CA GLY A 31 16.768 -5.892 -32.976 1.00 60.40 C

ATOM 203 C GLY A 31 17.062 -6.114 -31.488 1.00 62.83 C

ATOM 204 O GLY A 31 16.749 -7.160 -30.919 1.00 60.77 O

ATOM 205 N GLU A 32 17.661 -5.094 -30.852 1.00 59.31 N

ATOM 206 CA GLU A 32 17.928 -5.126 -29.412 1.00 64.13 C

ATOM 207 C GLU A 32 16.619 -5.168 -28.605 1.00 64.24 C

ATOM 208 O GLU A 32 15.581 -4.635 -29.006 1.00 63.47 O

ATOM 209 CB GLU A 32 18.789 -3.930 -28.989 1.00 62.12 C

ATOM 210 CG GLU A 32 20.218 -4.010 -29.586 1.00 57.13 C

ATOM 211 CD GLU A 32 21.132 -2.845 -29.161 1.00 54.16 C

ATOM 212 OE1 GLU A 32 22.358 -2.993 -29.351 1.00 51.79 O

ATOM 213 OE2 GLU A 32 20.604 -1.810 -28.718 1.00 49.85 O

ATOM 214 N ARG A 33 16.670 -5.815 -27.440 1.00 63.09 N

ATOM 215 CA ARG A 33 15.531 -5.882 -26.521 1.00 66.97 C

ATOM 216 C ARG A 33 15.235 -4.492 -25.949 1.00 65.66 C

ATOM 217 O ARG A 33 16.161 -3.782 -25.561 1.00 62.47 O

ATOM 218 CB ARG A 33 15.836 -6.913 -25.424 1.00 64.84 C

ATOM 219 CG ARG A 33 14.605 -7.242 -24.577 1.00 59.73 C

ATOM 220 CD ARG A 33 14.928 -8.398 -23.635 1.00 60.17 C

ATOM 221 NE ARG A 33 13.723 -8.869 -22.921 1.00 57.92 N

ATOM 222 CZ ARG A 33 13.688 -9.715 -21.910 1.00 53.01 C

ATOM 223 NH1 ARG A 33 14.766 -10.245 -21.421 1.00 52.37 N

ATOM 224 NH2 ARG A 33 12.549 -10.034 -21.370 1.00 51.52 N

ATOM 225 N GLY A 34 13.954 -4.112 -25.860 1.00 57.98 N

ATOM 226 CA GLY A 34 13.537 -2.850 -25.250 1.00 58.25 C

ATOM 227 C GLY A 34 13.958 -2.736 -23.786 1.00 60.32 C

ATOM 228 O GLY A 34 14.040 -3.731 -23.060 1.00 58.43 O

ATOM 229 N GLU A 35 14.229 -1.495 -23.345 1.00 57.19 N

ATOM 230 CA GLU A 35 14.559 -1.210 -21.946 1.00 61.88 C

ATOM 231 C GLU A 35 13.370 -1.504 -21.024 1.00 61.53 C

ATOM 232 O GLU A 35 12.203 -1.373 -21.388 1.00 60.58 O

ATOM 233 CB GLU A 35 15.038 0.238 -21.770 1.00 60.29 C

ATOM 234 CG GLU A 35 16.396 0.503 -22.456 1.00 55.51 C

ATOM 235 CD GLU A 35 16.943 1.926 -22.213 1.00 52.96 C

ATOM 236 OE1 GLU A 35 18.100 2.174 -22.614 1.00 50.46 O

ATOM 237 OE2 GLU A 35 16.205 2.762 -21.638 1.00 48.35 O

ATOM 238 N GLN A 36 13.668 -1.905 -19.793 1.00 58.85 N

ATOM 239 CA GLN A 36 12.643 -2.163 -18.788 1.00 61.29 C

ATOM 240 C GLN A 36 12.002 -0.855 -18.319 1.00 59.88 C

ATOM 241 O GLN A 36 12.709 0.100 -18.033 1.00 57.42 O

ATOM 242 CB GLN A 36 13.274 -2.957 -17.637 1.00 60.83 C

ATOM 243 CG GLN A 36 12.220 -3.429 -16.632 1.00 57.57 C

ATOM 244 CD GLN A 36 12.733 -4.511 -15.693 1.00 55.86 C

ATOM 245 OE1 GLN A 36 13.918 -4.752 -15.522 1.00 56.74 O

ATOM 246 NE2 GLN A 36 11.854 -5.218 -15.025 1.00 52.80 N

ATOM 247 N GLY A 37 10.670 -0.831 -18.184 1.00 54.99 N

ATOM 248 CA GLY A 37 9.945 0.331 -17.676 1.00 55.55 C

ATOM 249 C GLY A 37 10.345 0.702 -16.241 1.00 56.01 C

ATOM 250 O GLY A 37 10.752 -0.160 -15.460 1.00 54.61 O

ATOM 251 N PRO A 38 10.214 2.000 -15.869 1.00 54.97 N

ATOM 252 CA PRO A 38 10.519 2.456 -14.520 1.00 56.91 C

ATOM 253 C PRO A 38 9.567 1.840 -13.487 1.00 55.63 C

ATOM 254 O PRO A 38 8.416 1.524 -13.774 1.00 55.23 O

ATOM 255 CB PRO A 38 10.417 3.983 -14.567 1.00 56.70 C

ATOM 256 CG PRO A 38 9.410 4.233 -15.685 1.00 54.65 C

ATOM 257 CD PRO A 38 9.717 3.099 -16.677 1.00 55.79 C