MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 127 CB PRO A 20 -13.899 15.643 7.494 1.00 87.08 C
ATOM 128 CG PRO A 20 -12.665 15.502 8.305 1.00 84.47 C
ATOM 129 CD PRO A 20 -11.727 14.673 7.471 1.00 86.18 C
HETATM 130 N HYP A 21 -14.232 17.814 5.134 1.00 91.05 N
HETATM 131 CA HYP A 21 -14.229 19.195 4.711 1.00 90.08 C
HETATM 132 C HYP A 21 -13.960 20.172 5.855 1.00 87.89 C
HETATM 133 O HYP A 21 -14.315 19.876 7.007 1.00 93.70 O
HETATM 134 CB HYP A 21 -15.698 19.426 4.230 1.00 90.02 C
HETATM 135 CG HYP A 21 -16.190 18.077 3.830 1.00 85.37 C
HETATM 136 CD HYP A 21 -15.503 17.162 4.817 1.00 89.83 C
HETATM 137 OD1 HYP A 21 -15.718 17.759 2.519 1.00 91.24 O
ATOM 138 N GLY A 22 -13.274 21.249 5.582 1.00 92.82 N
ATOM 139 CA GLY A 22 -13.049 22.283 6.554 1.00 92.35 C
ATOM 140 C GLY A 22 -14.348 23.012 6.875 1.00 92.70 C
ATOM 141 O GLY A 22 -15.394 22.725 6.294 1.00 92.03 O
ATOM 142 N PRO A 23 -14.294 23.999 7.776 1.00 92.34 N
ATOM 143 CA PRO A 23 -15.504 24.734 8.144 1.00 93.25 C
ATOM 144 C PRO A 23 -15.999 25.595 6.998 1.00 92.44 C
ATOM 145 O PRO A 23 -15.230 25.985 6.119 1.00 90.27 O
ATOM 146 CB PRO A 23 -15.057 25.581 9.336 1.00 90.25 C
ATOM 147 CG PRO A 23 -13.598 25.756 9.119 1.00 87.45 C
ATOM 148 CD PRO A 23 -13.120 24.469 8.498 1.00 90.58 C
HETATM 149 N HYP A 24 -17.280 26.004 6.992 1.00 91.95 N
HETATM 150 CA HYP A 24 -17.783 26.790 5.873 1.00 87.94 C
HETATM 151 C HYP A 24 -17.006 28.003 5.608 1.00 86.18 C
HETATM 152 O HYP A 24 -16.943 28.887 6.464 1.00 85.70 O
HETATM 153 CB HYP A 24 -19.258 27.113 6.250 1.00 89.70 C
HETATM 154 CG HYP A 24 -19.629 26.127 7.283 1.00 84.61 C
HETATM 155 CD HYP A 24 -18.307 25.808 8.001 1.00 90.07 C
HETATM 156 OD1 HYP A 24 -20.110 24.965 6.679 1.00 84.88 O
HETATM 157 OXT HYP A 24 -16.395 27.993 4.518 1.00 86.33 O
TER 158 HYP A 24
END
ATOM 1 N GLY A 1 18.774 -28.605 -8.162 1.00 89.44 N
ATOM 2 CA GLY A 1 19.261 -27.300 -8.582 1.00 92.11 C
ATOM 3 C GLY A 1 18.939 -26.227 -7.564 1.00 92.30 C
ATOM 4 O GLY A 1 18.187 -26.470 -6.625 1.00 89.92 O
ATOM 5 N PRO A 2 19.472 -25.024 -7.717 1.00 92.44 N
ATOM 6 CA PRO A 2 19.208 -23.933 -6.779 1.00 94.05 C
ATOM 7 C PRO A 2 17.776 -23.434 -6.899 1.00 93.83 C
ATOM 8 O PRO A 2 17.137 -23.582 -7.928 1.00 93.04 O
ATOM 9 CB PRO A 2 20.210 -22.851 -7.181 1.00 92.44 C
ATOM 10 CG PRO A 2 20.426 -23.100 -8.630 1.00 88.39 C
ATOM 11 CD PRO A 2 20.380 -24.601 -8.782 1.00 89.64 C
HETATM 12 N HYP A 3 17.326 -22.911 -5.900 1.00 92.45 N
HETATM 13 CA HYP A 3 15.961 -22.234 -5.842 1.00 91.78 C
HETATM 14 C HYP A 3 15.838 -21.085 -6.833 1.00 89.78 C
HETATM 15 O HYP A 3 16.823 -20.378 -7.133 1.00 92.90 O
HETATM 16 CB HYP A 3 15.955 -21.705 -4.404 1.00 91.01 C
HETATM 17 CG HYP A 3 16.952 -22.571 -3.606 1.00 89.74 C
HETATM 18 CD HYP A 3 18.050 -22.853 -4.640 1.00 92.43 C
HETATM 19 OD1 HYP A 3 16.358 -23.779 -3.221 1.00 91.82 O
ATOM 20 N GLY A 4 14.636 -20.899 -7.370 1.00 92.71 N
ATOM 21 CA GLY A 4 14.378 -19.805 -8.274 1.00 92.07 C
ATOM 22 C GLY A 4 14.270 -18.489 -7.524 1.00 92.30 C
ATOM 23 O GLY A 4 14.237 -18.461 -6.292 1.00 92.45 O
ATOM 24 N PRO A 5 14.202 -17.363 -8.246 1.00 92.74 N
ATOM 25 CA PRO A 5 14.108 -16.056 -7.598 1.00 93.79 C
ATOM 26 C PRO A 5 12.742 -15.846 -6.961 1.00 93.30 C
ATOM 27 O PRO A 5 11.756 -16.451 -7.373 1.00 92.84 O
ATOM 28 CB PRO A 5 14.351 -15.073 -8.741 1.00 91.75 C
ATOM 29 CG PRO A 5 13.851 -15.810 -9.937 1.00 89.07 C
ATOM 30 CD PRO A 5 14.234 -17.252 -9.696 1.00 91.43 C
HETATM 31 N HYP A 6 12.713 -15.003 -5.959 1.00 89.36 N
HETATM 32 CA HYP A 6 11.415 -14.599 -5.347 1.00 94.75 C
HETATM 33 C HYP A 6 10.512 -13.908 -6.334 1.00 88.55 C
HETATM 34 O HYP A 6 10.961 -13.257 -7.299 1.00 92.44 O
HETATM 35 CB HYP A 6 11.880 -13.603 -4.261 1.00 88.43 C
HETATM 36 CG HYP A 6 13.302 -13.970 -3.917 1.00 88.21 C
HETATM 37 CD HYP A 6 13.841 -14.423 -5.247 1.00 91.08 C
HETATM 38 OD1 HYP A 6 13.339 -15.034 -2.987 1.00 89.72 O
ATOM 39 N GLY A 7 9.188 -14.031 -6.129 1.00 95.43 N
ATOM 40 CA GLY A 7 8.211 -13.385 -6.969 1.00 94.65 C
ATOM 41 C GLY A 7 8.206 -11.878 -6.756 1.00 94.94 C
ATOM 42 O GLY A 7 8.870 -11.360 -5.861 1.00 94.67 O
ATOM 43 N PRO A 8 7.437 -11.160 -7.575 1.00 92.90 N
ATOM 44 CA PRO A 8 7.366 -9.705 -7.448 1.00 93.35 C
ATOM 45 C PRO A 8 6.640 -9.285 -6.179 1.00 92.82 C
ATOM 46 O PRO A 8 5.835 -10.031 -5.636 1.00 91.61 O
ATOM 47 CB PRO A 8 6.615 -9.274 -8.704 1.00 91.51 C
ATOM 48 CG PRO A 8 5.761 -10.451 -9.015 1.00 90.92 C
ATOM 49 CD PRO A 8 6.608 -11.654 -8.660 1.00 92.97 C
HETATM 50 N HYP A 9 6.905 -8.093 -5.716 1.00 90.09 N
HETATM 51 CA HYP A 9 6.196 -7.510 -4.565 1.00 93.75 C
HETATM 52 C HYP A 9 4.768 -7.324 -4.849 1.00 92.18 C
HETATM 53 O HYP A 9 4.339 -7.052 -5.980 1.00 91.69 O
HETATM 54 CB HYP A 9 6.941 -6.150 -4.426 1.00 89.13 C
HETATM 55 CG HYP A 9 8.282 -6.340 -5.025 1.00 85.92 C
HETATM 56 CD HYP A 9 8.015 -7.280 -6.157 1.00 90.56 C
HETATM 57 OD1 HYP A 9 9.171 -6.953 -4.110 1.00 88.56 O
ATOM 58 N GLY A 10 3.913 -7.391 -3.775 1.00 92.65 N
ATOM 59 CA GLY A 10 2.486 -7.181 -3.893 1.00 90.99 C
ATOM 60 C GLY A 10 2.158 -5.744 -4.263 1.00 91.04 C
ATOM 61 O GLY A 10 3.010 -4.850 -4.210 1.00 89.61 O
ATOM 62 N GLU A 11 0.884 -5.509 -4.629 1.00 90.87 N
ATOM 63 CA GLU A 11 0.433 -4.173 -5.010 1.00 92.06 C
ATOM 64 C GLU A 11 0.409 -3.241 -3.809 1.00 91.98 C
ATOM 65 O GLU A 11 0.164 -3.659 -2.675 1.00 89.10 O
ATOM 66 CB GLU A 11 -0.966 -4.233 -5.622 1.00 88.38 C
ATOM 67 CG GLU A 11 -1.013 -4.971 -6.937 1.00 82.35 C

ATOM 127 CB PRO A 20 -13.899 15.643 7.494 1.00 87.08 C

ATOM 128 CG PRO A 20 -12.665 15.502 8.305 1.00 84.47 C

ATOM 129 CD PRO A 20 -11.727 14.673 7.471 1.00 86.18 C

HETATM 130 N HYP A 21 -14.232 17.814 5.134 1.00 91.05 N

HETATM 131 CA HYP A 21 -14.229 19.195 4.711 1.00 90.08 C

HETATM 132 C HYP A 21 -13.960 20.172 5.855 1.00 87.89 C

HETATM 133 O HYP A 21 -14.315 19.876 7.007 1.00 93.70 O

HETATM 134 CB HYP A 21 -15.698 19.426 4.230 1.00 90.02 C

HETATM 135 CG HYP A 21 -16.190 18.077 3.830 1.00 85.37 C

HETATM 136 CD HYP A 21 -15.503 17.162 4.817 1.00 89.83 C

HETATM 137 OD1 HYP A 21 -15.718 17.759 2.519 1.00 91.24 O

ATOM 138 N GLY A 22 -13.274 21.249 5.582 1.00 92.82 N

ATOM 139 CA GLY A 22 -13.049 22.283 6.554 1.00 92.35 C

ATOM 140 C GLY A 22 -14.348 23.012 6.875 1.00 92.70 C

ATOM 141 O GLY A 22 -15.394 22.725 6.294 1.00 92.03 O

ATOM 142 N PRO A 23 -14.294 23.999 7.776 1.00 92.34 N

ATOM 143 CA PRO A 23 -15.504 24.734 8.144 1.00 93.25 C

ATOM 144 C PRO A 23 -15.999 25.595 6.998 1.00 92.44 C

ATOM 145 O PRO A 23 -15.230 25.985 6.119 1.00 90.27 O

ATOM 146 CB PRO A 23 -15.057 25.581 9.336 1.00 90.25 C

ATOM 147 CG PRO A 23 -13.598 25.756 9.119 1.00 87.45 C

ATOM 148 CD PRO A 23 -13.120 24.469 8.498 1.00 90.58 C

HETATM 149 N HYP A 24 -17.280 26.004 6.992 1.00 91.95 N

HETATM 150 CA HYP A 24 -17.783 26.790 5.873 1.00 87.94 C

HETATM 151 C HYP A 24 -17.006 28.003 5.608 1.00 86.18 C

HETATM 152 O HYP A 24 -16.943 28.887 6.464 1.00 85.70 O

HETATM 153 CB HYP A 24 -19.258 27.113 6.250 1.00 89.70 C

HETATM 154 CG HYP A 24 -19.629 26.127 7.283 1.00 84.61 C

HETATM 155 CD HYP A 24 -18.307 25.808 8.001 1.00 90.07 C

HETATM 156 OD1 HYP A 24 -20.110 24.965 6.679 1.00 84.88 O

HETATM 157 OXT HYP A 24 -16.395 27.993 4.518 1.00 86.33 O

TER 158 HYP A 24

END

ATOM 1 N GLY A 1 18.774 -28.605 -8.162 1.00 89.44 N

ATOM 2 CA GLY A 1 19.261 -27.300 -8.582 1.00 92.11 C

ATOM 3 C GLY A 1 18.939 -26.227 -7.564 1.00 92.30 C

ATOM 4 O GLY A 1 18.187 -26.470 -6.625 1.00 89.92 O

ATOM 5 N PRO A 2 19.472 -25.024 -7.717 1.00 92.44 N

ATOM 6 CA PRO A 2 19.208 -23.933 -6.779 1.00 94.05 C

ATOM 7 C PRO A 2 17.776 -23.434 -6.899 1.00 93.83 C

ATOM 8 O PRO A 2 17.137 -23.582 -7.928 1.00 93.04 O

ATOM 9 CB PRO A 2 20.210 -22.851 -7.181 1.00 92.44 C

ATOM 10 CG PRO A 2 20.426 -23.100 -8.630 1.00 88.39 C

ATOM 11 CD PRO A 2 20.380 -24.601 -8.782 1.00 89.64 C

HETATM 12 N HYP A 3 17.326 -22.911 -5.900 1.00 92.45 N

HETATM 13 CA HYP A 3 15.961 -22.234 -5.842 1.00 91.78 C

HETATM 14 C HYP A 3 15.838 -21.085 -6.833 1.00 89.78 C

HETATM 15 O HYP A 3 16.823 -20.378 -7.133 1.00 92.90 O

HETATM 16 CB HYP A 3 15.955 -21.705 -4.404 1.00 91.01 C

HETATM 17 CG HYP A 3 16.952 -22.571 -3.606 1.00 89.74 C

HETATM 18 CD HYP A 3 18.050 -22.853 -4.640 1.00 92.43 C

HETATM 19 OD1 HYP A 3 16.358 -23.779 -3.221 1.00 91.82 O

ATOM 20 N GLY A 4 14.636 -20.899 -7.370 1.00 92.71 N

ATOM 21 CA GLY A 4 14.378 -19.805 -8.274 1.00 92.07 C

ATOM 22 C GLY A 4 14.270 -18.489 -7.524 1.00 92.30 C

ATOM 23 O GLY A 4 14.237 -18.461 -6.292 1.00 92.45 O

ATOM 24 N PRO A 5 14.202 -17.363 -8.246 1.00 92.74 N

ATOM 25 CA PRO A 5 14.108 -16.056 -7.598 1.00 93.79 C

ATOM 26 C PRO A 5 12.742 -15.846 -6.961 1.00 93.30 C

ATOM 27 O PRO A 5 11.756 -16.451 -7.373 1.00 92.84 O

ATOM 28 CB PRO A 5 14.351 -15.073 -8.741 1.00 91.75 C

ATOM 29 CG PRO A 5 13.851 -15.810 -9.937 1.00 89.07 C

ATOM 30 CD PRO A 5 14.234 -17.252 -9.696 1.00 91.43 C

HETATM 31 N HYP A 6 12.713 -15.003 -5.959 1.00 89.36 N

HETATM 32 CA HYP A 6 11.415 -14.599 -5.347 1.00 94.75 C

HETATM 33 C HYP A 6 10.512 -13.908 -6.334 1.00 88.55 C

HETATM 34 O HYP A 6 10.961 -13.257 -7.299 1.00 92.44 O

HETATM 35 CB HYP A 6 11.880 -13.603 -4.261 1.00 88.43 C

HETATM 36 CG HYP A 6 13.302 -13.970 -3.917 1.00 88.21 C

HETATM 37 CD HYP A 6 13.841 -14.423 -5.247 1.00 91.08 C

HETATM 38 OD1 HYP A 6 13.339 -15.034 -2.987 1.00 89.72 O

ATOM 39 N GLY A 7 9.188 -14.031 -6.129 1.00 95.43 N

ATOM 40 CA GLY A 7 8.211 -13.385 -6.969 1.00 94.65 C

ATOM 41 C GLY A 7 8.206 -11.878 -6.756 1.00 94.94 C

ATOM 42 O GLY A 7 8.870 -11.360 -5.861 1.00 94.67 O

ATOM 43 N PRO A 8 7.437 -11.160 -7.575 1.00 92.90 N

ATOM 44 CA PRO A 8 7.366 -9.705 -7.448 1.00 93.35 C

ATOM 45 C PRO A 8 6.640 -9.285 -6.179 1.00 92.82 C

ATOM 46 O PRO A 8 5.835 -10.031 -5.636 1.00 91.61 O

ATOM 47 CB PRO A 8 6.615 -9.274 -8.704 1.00 91.51 C

ATOM 48 CG PRO A 8 5.761 -10.451 -9.015 1.00 90.92 C

ATOM 49 CD PRO A 8 6.608 -11.654 -8.660 1.00 92.97 C

HETATM 50 N HYP A 9 6.905 -8.093 -5.716 1.00 90.09 N

HETATM 51 CA HYP A 9 6.196 -7.510 -4.565 1.00 93.75 C

HETATM 52 C HYP A 9 4.768 -7.324 -4.849 1.00 92.18 C

HETATM 53 O HYP A 9 4.339 -7.052 -5.980 1.00 91.69 O

HETATM 54 CB HYP A 9 6.941 -6.150 -4.426 1.00 89.13 C

HETATM 55 CG HYP A 9 8.282 -6.340 -5.025 1.00 85.92 C

HETATM 56 CD HYP A 9 8.015 -7.280 -6.157 1.00 90.56 C

HETATM 57 OD1 HYP A 9 9.171 -6.953 -4.110 1.00 88.56 O

ATOM 58 N GLY A 10 3.913 -7.391 -3.775 1.00 92.65 N

ATOM 59 CA GLY A 10 2.486 -7.181 -3.893 1.00 90.99 C

ATOM 60 C GLY A 10 2.158 -5.744 -4.263 1.00 91.04 C

ATOM 61 O GLY A 10 3.010 -4.850 -4.210 1.00 89.61 O

ATOM 62 N GLU A 11 0.884 -5.509 -4.629 1.00 90.87 N

ATOM 63 CA GLU A 11 0.433 -4.173 -5.010 1.00 92.06 C

ATOM 64 C GLU A 11 0.409 -3.241 -3.809 1.00 91.98 C

ATOM 65 O GLU A 11 0.164 -3.659 -2.675 1.00 89.10 O

ATOM 66 CB GLU A 11 -0.966 -4.233 -5.622 1.00 88.38 C

ATOM 67 CG GLU A 11 -1.013 -4.971 -6.937 1.00 82.35 C