MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 95 O HYP A 15 -6.903 5.373 -0.859 1.00 85.93 O
HETATM 96 CB HYP A 15 -4.197 6.959 -1.648 1.00 83.85 C
HETATM 97 CG HYP A 15 -3.419 6.538 -2.859 1.00 82.37 C
HETATM 98 CD HYP A 15 -4.070 5.245 -3.225 1.00 86.66 C
HETATM 99 OD1 HYP A 15 -2.074 6.324 -2.517 1.00 87.33 O
ATOM 100 N GLY A 16 -5.895 6.033 1.020 1.00 93.91 N
ATOM 101 CA GLY A 16 -7.134 6.185 1.738 1.00 92.87 C
ATOM 102 C GLY A 16 -7.913 7.396 1.249 1.00 93.10 C
ATOM 103 O GLY A 16 -7.415 8.186 0.445 1.00 93.96 O
ATOM 104 N PRO A 17 -9.156 7.549 1.732 1.00 88.51 N
ATOM 105 CA PRO A 17 -9.987 8.672 1.305 1.00 89.08 C
ATOM 106 C PRO A 17 -9.488 9.991 1.864 1.00 88.91 C
ATOM 107 O PRO A 17 -8.780 10.030 2.866 1.00 90.85 O
ATOM 108 CB PRO A 17 -11.365 8.318 1.854 1.00 87.39 C
ATOM 109 CG PRO A 17 -11.069 7.494 3.056 1.00 85.30 C
ATOM 110 CD PRO A 17 -9.846 6.693 2.693 1.00 86.57 C
HETATM 111 N HYP A 18 -9.844 11.102 1.254 1.00 89.67 N
HETATM 112 CA HYP A 18 -9.578 12.425 1.731 1.00 91.45 C
HETATM 113 C HYP A 18 -10.204 12.680 3.103 1.00 87.08 C
HETATM 114 O HYP A 18 -11.216 12.050 3.465 1.00 93.07 O
HETATM 115 CB HYP A 18 -10.219 13.319 0.674 1.00 89.00 C
HETATM 116 CG HYP A 18 -10.234 12.493 -0.589 1.00 87.36 C
HETATM 117 CD HYP A 18 -10.462 11.111 -0.056 1.00 90.22 C
HETATM 118 OD1 HYP A 18 -8.995 12.571 -1.245 1.00 90.93 O
ATOM 119 N GLY A 19 -9.612 13.543 3.870 1.00 93.02 N
ATOM 120 CA GLY A 19 -10.154 13.921 5.148 1.00 92.05 C
ATOM 121 C GLY A 19 -11.448 14.697 4.985 1.00 92.32 C
ATOM 122 O GLY A 19 -11.852 15.040 3.871 1.00 92.69 O
ATOM 123 N PRO A 20 -12.117 15.008 6.105 1.00 89.40 N
ATOM 124 CA PRO A 20 -13.383 15.730 6.051 1.00 89.79 C
ATOM 125 C PRO A 20 -13.183 17.179 5.612 1.00 89.32 C
ATOM 126 O PRO A 20 -12.095 17.730 5.734 1.00 89.87 O
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 -5.214 6.300 -0.461 1.00 73.64 N
ATOM 2 CA GLY A 1 -3.871 5.903 -0.817 1.00 76.93 C
ATOM 3 C GLY A 1 -3.861 4.545 -1.485 1.00 79.53 C
ATOM 4 O GLY A 1 -4.901 3.907 -1.641 1.00 75.57 O
ATOM 5 N PRO A 2 -2.680 4.010 -1.870 1.00 73.94 N
ATOM 6 CA PRO A 2 -2.564 2.716 -2.532 1.00 78.58 C
ATOM 7 C PRO A 2 -2.767 1.575 -1.543 1.00 79.73 C
ATOM 8 O PRO A 2 -2.715 1.765 -0.336 1.00 77.68 O
ATOM 9 CB PRO A 2 -1.134 2.732 -3.071 1.00 75.07 C
ATOM 10 CG PRO A 2 -0.408 3.586 -2.099 1.00 70.52 C
ATOM 11 CD PRO A 2 -1.389 4.653 -1.693 1.00 69.13 C
HETATM 12 N HYP A 3 -3.022 0.372 -2.044 1.00 75.07 N
HETATM 13 CA HYP A 3 -3.099 -0.786 -1.212 1.00 79.46 C
HETATM 14 C HYP A 3 -1.837 -0.972 -0.384 1.00 80.08 C
HETATM 15 O HYP A 3 -0.733 -0.561 -0.813 1.00 78.10 O
HETATM 16 CB HYP A 3 -3.307 -1.879 -2.252 1.00 74.43 C
HETATM 17 CG HYP A 3 -4.091 -1.201 -3.324 1.00 72.90 C
HETATM 18 CD HYP A 3 -3.373 0.125 -3.417 1.00 75.58 C
HETATM 19 OD1 HYP A 3 -5.423 -0.975 -2.926 1.00 77.57 O
ATOM 20 N GLY A 4 -2.009 -1.425 0.797 1.00 84.30 N
ATOM 21 CA GLY A 4 -0.891 -1.620 1.683 1.00 83.15 C
ATOM 22 C GLY A 4 0.030 -2.709 1.168 1.00 81.71 C
ATOM 23 O GLY A 4 -0.251 -3.362 0.161 1.00 79.80 O
ATOM 24 N PRO A 5 1.133 -2.893 1.863 1.00 82.94 N
ATOM 25 CA PRO A 5 2.068 -3.927 1.443 1.00 81.96 C
ATOM 26 C PRO A 5 1.479 -5.308 1.685 1.00 82.24 C
ATOM 27 O PRO A 5 0.562 -5.476 2.474 1.00 80.36 O
ATOM 28 CB PRO A 5 3.285 -3.675 2.327 1.00 79.59 C
ATOM 29 CG PRO A 5 2.707 -3.067 3.559 1.00 79.30 C
ATOM 30 CD PRO A 5 1.567 -2.213 3.074 1.00 80.21 C
HETATM 31 N HYP A 6 2.051 -6.297 1.029 1.00 82.98 N
HETATM 32 CA HYP A 6 1.638 -7.624 1.271 1.00 84.08 C
HETATM 33 C HYP A 6 1.868 -8.056 2.700 1.00 85.07 C
HETATM 34 O HYP A 6 2.820 -7.600 3.356 1.00 82.34 O
HETATM 35 CB HYP A 6 2.498 -8.422 0.290 1.00 82.87 C

HETATM 95 O HYP A 15 -6.903 5.373 -0.859 1.00 85.93 O

HETATM 96 CB HYP A 15 -4.197 6.959 -1.648 1.00 83.85 C

HETATM 97 CG HYP A 15 -3.419 6.538 -2.859 1.00 82.37 C

HETATM 98 CD HYP A 15 -4.070 5.245 -3.225 1.00 86.66 C

HETATM 99 OD1 HYP A 15 -2.074 6.324 -2.517 1.00 87.33 O

ATOM 100 N GLY A 16 -5.895 6.033 1.020 1.00 93.91 N

ATOM 101 CA GLY A 16 -7.134 6.185 1.738 1.00 92.87 C

ATOM 102 C GLY A 16 -7.913 7.396 1.249 1.00 93.10 C

ATOM 103 O GLY A 16 -7.415 8.186 0.445 1.00 93.96 O

ATOM 104 N PRO A 17 -9.156 7.549 1.732 1.00 88.51 N

ATOM 105 CA PRO A 17 -9.987 8.672 1.305 1.00 89.08 C

ATOM 106 C PRO A 17 -9.488 9.991 1.864 1.00 88.91 C

ATOM 107 O PRO A 17 -8.780 10.030 2.866 1.00 90.85 O

ATOM 108 CB PRO A 17 -11.365 8.318 1.854 1.00 87.39 C

ATOM 109 CG PRO A 17 -11.069 7.494 3.056 1.00 85.30 C

ATOM 110 CD PRO A 17 -9.846 6.693 2.693 1.00 86.57 C

HETATM 111 N HYP A 18 -9.844 11.102 1.254 1.00 89.67 N

HETATM 112 CA HYP A 18 -9.578 12.425 1.731 1.00 91.45 C

HETATM 113 C HYP A 18 -10.204 12.680 3.103 1.00 87.08 C

HETATM 114 O HYP A 18 -11.216 12.050 3.465 1.00 93.07 O

HETATM 115 CB HYP A 18 -10.219 13.319 0.674 1.00 89.00 C

HETATM 116 CG HYP A 18 -10.234 12.493 -0.589 1.00 87.36 C

HETATM 117 CD HYP A 18 -10.462 11.111 -0.056 1.00 90.22 C

HETATM 118 OD1 HYP A 18 -8.995 12.571 -1.245 1.00 90.93 O

ATOM 119 N GLY A 19 -9.612 13.543 3.870 1.00 93.02 N

ATOM 120 CA GLY A 19 -10.154 13.921 5.148 1.00 92.05 C

ATOM 121 C GLY A 19 -11.448 14.697 4.985 1.00 92.32 C

ATOM 122 O GLY A 19 -11.852 15.040 3.871 1.00 92.69 O

ATOM 123 N PRO A 20 -12.117 15.008 6.105 1.00 89.40 N

ATOM 124 CA PRO A 20 -13.383 15.730 6.051 1.00 89.79 C

ATOM 125 C PRO A 20 -13.183 17.179 5.612 1.00 89.32 C

ATOM 126 O PRO A 20 -12.095 17.730 5.734 1.00 89.87 O

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 -5.214 6.300 -0.461 1.00 73.64 N

ATOM 2 CA GLY A 1 -3.871 5.903 -0.817 1.00 76.93 C

ATOM 3 C GLY A 1 -3.861 4.545 -1.485 1.00 79.53 C

ATOM 4 O GLY A 1 -4.901 3.907 -1.641 1.00 75.57 O

ATOM 5 N PRO A 2 -2.680 4.010 -1.870 1.00 73.94 N

ATOM 6 CA PRO A 2 -2.564 2.716 -2.532 1.00 78.58 C

ATOM 7 C PRO A 2 -2.767 1.575 -1.543 1.00 79.73 C

ATOM 8 O PRO A 2 -2.715 1.765 -0.336 1.00 77.68 O

ATOM 9 CB PRO A 2 -1.134 2.732 -3.071 1.00 75.07 C

ATOM 10 CG PRO A 2 -0.408 3.586 -2.099 1.00 70.52 C

ATOM 11 CD PRO A 2 -1.389 4.653 -1.693 1.00 69.13 C

HETATM 12 N HYP A 3 -3.022 0.372 -2.044 1.00 75.07 N

HETATM 13 CA HYP A 3 -3.099 -0.786 -1.212 1.00 79.46 C

HETATM 14 C HYP A 3 -1.837 -0.972 -0.384 1.00 80.08 C

HETATM 15 O HYP A 3 -0.733 -0.561 -0.813 1.00 78.10 O

HETATM 16 CB HYP A 3 -3.307 -1.879 -2.252 1.00 74.43 C

HETATM 17 CG HYP A 3 -4.091 -1.201 -3.324 1.00 72.90 C

HETATM 18 CD HYP A 3 -3.373 0.125 -3.417 1.00 75.58 C

HETATM 19 OD1 HYP A 3 -5.423 -0.975 -2.926 1.00 77.57 O

ATOM 20 N GLY A 4 -2.009 -1.425 0.797 1.00 84.30 N

ATOM 21 CA GLY A 4 -0.891 -1.620 1.683 1.00 83.15 C

ATOM 22 C GLY A 4 0.030 -2.709 1.168 1.00 81.71 C

ATOM 23 O GLY A 4 -0.251 -3.362 0.161 1.00 79.80 O

ATOM 24 N PRO A 5 1.133 -2.893 1.863 1.00 82.94 N

ATOM 25 CA PRO A 5 2.068 -3.927 1.443 1.00 81.96 C

ATOM 26 C PRO A 5 1.479 -5.308 1.685 1.00 82.24 C

ATOM 27 O PRO A 5 0.562 -5.476 2.474 1.00 80.36 O

ATOM 28 CB PRO A 5 3.285 -3.675 2.327 1.00 79.59 C

ATOM 29 CG PRO A 5 2.707 -3.067 3.559 1.00 79.30 C

ATOM 30 CD PRO A 5 1.567 -2.213 3.074 1.00 80.21 C

HETATM 31 N HYP A 6 2.051 -6.297 1.029 1.00 82.98 N

HETATM 32 CA HYP A 6 1.638 -7.624 1.271 1.00 84.08 C

HETATM 33 C HYP A 6 1.868 -8.056 2.700 1.00 85.07 C

HETATM 34 O HYP A 6 2.820 -7.600 3.356 1.00 82.34 O

HETATM 35 CB HYP A 6 2.498 -8.422 0.290 1.00 82.87 C