MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 103 CG PRO A 17 -10.436 8.392 -0.138 1.00 80.45 C
ATOM 104 CD PRO A 17 -9.197 7.533 -0.243 1.00 80.12 C
HETATM 105 N HYP A 18 -9.542 10.971 -3.346 1.00 82.26 N
HETATM 106 CA HYP A 18 -9.322 12.389 -3.460 1.00 84.89 C
HETATM 107 C HYP A 18 -10.008 13.179 -2.336 1.00 81.46 C
HETATM 108 O HYP A 18 -11.001 12.735 -1.753 1.00 84.27 O
HETATM 109 CB HYP A 18 -10.001 12.708 -4.789 1.00 82.17 C
HETATM 110 CG HYP A 18 -9.910 11.450 -5.584 1.00 80.91 C
HETATM 111 CD HYP A 18 -10.126 10.416 -4.538 1.00 83.08 C
HETATM 112 OD1 HYP A 18 -8.647 11.289 -6.161 1.00 84.19 O
ATOM 113 N GLY A 19 -9.452 14.315 -2.004 1.00 87.21 N
ATOM 114 CA GLY A 19 -10.015 15.169 -0.993 1.00 86.47 C
ATOM 115 C GLY A 19 -11.341 15.746 -1.453 1.00 86.83 C
ATOM 116 O GLY A 19 -11.747 15.562 -2.603 1.00 86.08 O
ATOM 117 N PRO A 20 -12.036 16.472 -0.565 1.00 81.21 N
ATOM 118 CA PRO A 20 -13.329 17.043 -0.908 1.00 81.88 C
ATOM 119 C PRO A 20 -13.204 18.168 -1.924 1.00 81.03 C
ATOM 120 O PRO A 20 -12.152 18.794 -2.054 1.00 79.64 O
ATOM 121 CB PRO A 20 -13.863 17.536 0.438 1.00 78.92 C
ATOM 122 CG PRO A 20 -12.625 17.843 1.206 1.00 76.48 C
ATOM 123 CD PRO A 20 -11.657 16.746 0.817 1.00 76.65 C
HETATM 124 N HYP A 21 -14.246 18.464 -2.636 1.00 88.08 N
HETATM 125 CA HYP A 21 -14.310 19.550 -3.618 1.00 86.45 C
HETATM 126 C HYP A 21 -14.187 20.940 -2.998 1.00 87.49 C
HETATM 127 O HYP A 21 -14.575 21.136 -1.845 1.00 85.56 O
HETATM 128 CB HYP A 21 -15.764 19.415 -4.166 1.00 85.18 C
HETATM 129 CG HYP A 21 -16.159 17.989 -3.933 1.00 83.54 C
HETATM 130 CD HYP A 21 -15.461 17.662 -2.640 1.00 86.18 C
HETATM 131 OD1 HYP A 21 -15.634 17.162 -4.953 1.00 84.04 O
ATOM 132 N GLY A 22 -13.595 21.862 -3.690 1.00 84.84 N
ATOM 133 CA GLY A 22 -13.480 23.221 -3.239 1.00 84.06 C
ATOM 134 C GLY A 22 -14.840 23.908 -3.297 1.00 83.84 C
ATOM 135 O GLY A 22 -15.818 23.322 -3.761 1.00 82.75 O
ATOM 136 N PRO A 23 -14.914 25.178 -2.897 1.00 82.54 N
ATOM 137 CA PRO A 23 -16.188 25.893 -2.922 1.00 83.86 C
ATOM 138 C PRO A 23 -16.611 26.214 -4.337 1.00 83.04 C
ATOM 139 O PRO A 23 -15.786 26.271 -5.252 1.00 79.82 O
ATOM 140 CB PRO A 23 -15.890 27.152 -2.102 1.00 79.89 C
ATOM 141 CG PRO A 23 -14.440 27.377 -2.339 1.00 77.15 C
ATOM 142 CD PRO A 23 -13.837 25.983 -2.341 1.00 77.87 C
HETATM 143 N HYP A 24 -17.899 26.506 -4.577 1.00 84.36 N
HETATM 144 CA HYP A 24 -18.317 26.820 -5.926 1.00 83.93 C
HETATM 145 C HYP A 24 -17.619 27.952 -6.519 1.00 80.96 C
HETATM 146 O HYP A 24 -17.676 29.051 -5.959 1.00 80.25 O
HETATM 147 CB HYP A 24 -19.851 27.103 -5.821 1.00 84.32 C
HETATM 148 CG HYP A 24 -20.267 26.450 -4.555 1.00 82.69 C
HETATM 149 CD HYP A 24 -19.003 26.524 -3.654 1.00 83.67 C
HETATM 150 OD1 HYP A 24 -20.541 25.092 -4.798 1.00 81.34 O
HETATM 151 OXT HYP A 24 -16.978 27.694 -7.554 1.00 77.87 O
TER 152 HYP A 24
END
ATOM 1 N GLY A 1 -5.392 6.188 0.145 1.00 74.04 N
ATOM 2 CA GLY A 1 -4.056 5.950 -0.373 1.00 77.80 C
ATOM 3 C GLY A 1 -3.996 4.682 -1.184 1.00 79.90 C
ATOM 4 O GLY A 1 -4.995 3.970 -1.304 1.00 75.64 O
ATOM 5 N PRO A 2 -2.823 4.367 -1.723 1.00 78.21 N
ATOM 6 CA PRO A 2 -2.674 3.163 -2.528 1.00 81.97 C
ATOM 7 C PRO A 2 -2.681 1.918 -1.648 1.00 82.91 C
ATOM 8 O PRO A 2 -2.508 1.995 -0.437 1.00 80.57 O
ATOM 9 CB PRO A 2 -1.317 3.363 -3.203 1.00 78.20 C
ATOM 10 CG PRO A 2 -0.555 4.174 -2.218 1.00 74.12 C
ATOM 11 CD PRO A 2 -1.575 5.121 -1.635 1.00 73.27 C
HETATM 12 N HYP A 3 -2.889 0.772 -2.241 1.00 82.27 N
HETATM 13 CA HYP A 3 -2.825 -0.457 -1.545 1.00 83.85 C
HETATM 14 C HYP A 3 -1.451 -0.648 -0.871 1.00 82.97 C
HETATM 15 O HYP A 3 -0.418 -0.151 -1.368 1.00 83.53 O
HETATM 16 CB HYP A 3 -3.050 -1.479 -2.656 1.00 81.61 C
HETATM 17 CG HYP A 3 -3.946 -0.757 -3.593 1.00 79.60 C
HETATM 18 CD HYP A 3 -3.324 0.610 -3.598 1.00 81.40 C
HETATM 19 OD1 HYP A 3 -5.253 -0.672 -3.114 1.00 81.43 O
ATOM 20 N GLY A 4 -1.487 -1.242 0.275 1.00 88.94 N
ATOM 21 CA GLY A 4 -0.274 -1.467 1.008 1.00 87.55 C
ATOM 22 C GLY A 4 0.610 -2.475 0.299 1.00 86.32 C
ATOM 23 O GLY A 4 0.235 -3.037 -0.734 1.00 85.12 O
ATOM 24 N PRO A 5 1.781 -2.698 0.850 1.00 86.21 N
ATOM 25 CA PRO A 5 2.697 -3.649 0.239 1.00 84.87 C
ATOM 26 C PRO A 5 2.184 -5.069 0.388 1.00 84.50 C
ATOM 27 O PRO A 5 1.346 -5.357 1.237 1.00 82.91 O
ATOM 28 CB PRO A 5 3.994 -3.435 1.003 1.00 81.79 C
ATOM 29 CG PRO A 5 3.527 -2.996 2.347 1.00 81.34 C
ATOM 30 CD PRO A 5 2.336 -2.122 2.069 1.00 83.52 C
HETATM 31 N HYP A 6 2.732 -5.968 -0.424 1.00 85.37 N
HETATM 32 CA HYP A 6 2.370 -7.334 -0.287 1.00 87.15 C
HETATM 33 C HYP A 6 2.740 -7.901 1.060 1.00 85.29 C
HETATM 34 O HYP A 6 3.762 -7.505 1.660 1.00 85.15 O
HETATM 35 CB HYP A 6 3.129 -8.010 -1.417 1.00 84.53 C
HETATM 36 CG HYP A 6 3.236 -6.932 -2.450 1.00 82.54 C
HETATM 37 CD HYP A 6 3.470 -5.700 -1.635 1.00 85.96 C
HETATM 38 OD1 HYP A 6 2.052 -6.779 -3.181 1.00 80.14 O
ATOM 39 N GLY A 7 1.858 -8.688 1.622 1.00 85.61 N
ATOM 40 CA GLY A 7 2.098 -9.283 2.906 1.00 82.86 C
ATOM 41 C GLY A 7 3.083 -10.428 2.807 1.00 83.10 C
ATOM 42 O GLY A 7 3.659 -10.681 1.744 1.00 82.02 O
ATOM 43 N PRO A 8 3.256 -11.148 3.880 1.00 84.20 N
ATOM 44 CA PRO A 8 4.121 -12.324 3.864 1.00 84.86 C
ATOM 45 C PRO A 8 3.554 -13.351 2.895 1.00 84.81 C
ATOM 46 O PRO A 8 2.376 -13.301 2.543 1.00 83.35 O
ATOM 47 CB PRO A 8 4.063 -12.847 5.294 1.00 82.22 C
ATOM 48 CG PRO A 8 3.540 -11.725 6.094 1.00 81.51 C
ATOM 49 CD PRO A 8 2.661 -10.928 5.187 1.00 83.27 C

ATOM 103 CG PRO A 17 -10.436 8.392 -0.138 1.00 80.45 C

ATOM 104 CD PRO A 17 -9.197 7.533 -0.243 1.00 80.12 C

HETATM 105 N HYP A 18 -9.542 10.971 -3.346 1.00 82.26 N

HETATM 106 CA HYP A 18 -9.322 12.389 -3.460 1.00 84.89 C

HETATM 107 C HYP A 18 -10.008 13.179 -2.336 1.00 81.46 C

HETATM 108 O HYP A 18 -11.001 12.735 -1.753 1.00 84.27 O

HETATM 109 CB HYP A 18 -10.001 12.708 -4.789 1.00 82.17 C

HETATM 110 CG HYP A 18 -9.910 11.450 -5.584 1.00 80.91 C

HETATM 111 CD HYP A 18 -10.126 10.416 -4.538 1.00 83.08 C

HETATM 112 OD1 HYP A 18 -8.647 11.289 -6.161 1.00 84.19 O

ATOM 113 N GLY A 19 -9.452 14.315 -2.004 1.00 87.21 N

ATOM 114 CA GLY A 19 -10.015 15.169 -0.993 1.00 86.47 C

ATOM 115 C GLY A 19 -11.341 15.746 -1.453 1.00 86.83 C

ATOM 116 O GLY A 19 -11.747 15.562 -2.603 1.00 86.08 O

ATOM 117 N PRO A 20 -12.036 16.472 -0.565 1.00 81.21 N

ATOM 118 CA PRO A 20 -13.329 17.043 -0.908 1.00 81.88 C

ATOM 119 C PRO A 20 -13.204 18.168 -1.924 1.00 81.03 C

ATOM 120 O PRO A 20 -12.152 18.794 -2.054 1.00 79.64 O

ATOM 121 CB PRO A 20 -13.863 17.536 0.438 1.00 78.92 C

ATOM 122 CG PRO A 20 -12.625 17.843 1.206 1.00 76.48 C

ATOM 123 CD PRO A 20 -11.657 16.746 0.817 1.00 76.65 C

HETATM 124 N HYP A 21 -14.246 18.464 -2.636 1.00 88.08 N

HETATM 125 CA HYP A 21 -14.310 19.550 -3.618 1.00 86.45 C

HETATM 126 C HYP A 21 -14.187 20.940 -2.998 1.00 87.49 C

HETATM 127 O HYP A 21 -14.575 21.136 -1.845 1.00 85.56 O

HETATM 128 CB HYP A 21 -15.764 19.415 -4.166 1.00 85.18 C

HETATM 129 CG HYP A 21 -16.159 17.989 -3.933 1.00 83.54 C

HETATM 130 CD HYP A 21 -15.461 17.662 -2.640 1.00 86.18 C

HETATM 131 OD1 HYP A 21 -15.634 17.162 -4.953 1.00 84.04 O

ATOM 132 N GLY A 22 -13.595 21.862 -3.690 1.00 84.84 N

ATOM 133 CA GLY A 22 -13.480 23.221 -3.239 1.00 84.06 C

ATOM 134 C GLY A 22 -14.840 23.908 -3.297 1.00 83.84 C

ATOM 135 O GLY A 22 -15.818 23.322 -3.761 1.00 82.75 O

ATOM 136 N PRO A 23 -14.914 25.178 -2.897 1.00 82.54 N

ATOM 137 CA PRO A 23 -16.188 25.893 -2.922 1.00 83.86 C

ATOM 138 C PRO A 23 -16.611 26.214 -4.337 1.00 83.04 C

ATOM 139 O PRO A 23 -15.786 26.271 -5.252 1.00 79.82 O

ATOM 140 CB PRO A 23 -15.890 27.152 -2.102 1.00 79.89 C

ATOM 141 CG PRO A 23 -14.440 27.377 -2.339 1.00 77.15 C

ATOM 142 CD PRO A 23 -13.837 25.983 -2.341 1.00 77.87 C

HETATM 143 N HYP A 24 -17.899 26.506 -4.577 1.00 84.36 N

HETATM 144 CA HYP A 24 -18.317 26.820 -5.926 1.00 83.93 C

HETATM 145 C HYP A 24 -17.619 27.952 -6.519 1.00 80.96 C

HETATM 146 O HYP A 24 -17.676 29.051 -5.959 1.00 80.25 O

HETATM 147 CB HYP A 24 -19.851 27.103 -5.821 1.00 84.32 C

HETATM 148 CG HYP A 24 -20.267 26.450 -4.555 1.00 82.69 C

HETATM 149 CD HYP A 24 -19.003 26.524 -3.654 1.00 83.67 C

HETATM 150 OD1 HYP A 24 -20.541 25.092 -4.798 1.00 81.34 O

HETATM 151 OXT HYP A 24 -16.978 27.694 -7.554 1.00 77.87 O

TER 152 HYP A 24

END

ATOM 1 N GLY A 1 -5.392 6.188 0.145 1.00 74.04 N

ATOM 2 CA GLY A 1 -4.056 5.950 -0.373 1.00 77.80 C

ATOM 3 C GLY A 1 -3.996 4.682 -1.184 1.00 79.90 C

ATOM 4 O GLY A 1 -4.995 3.970 -1.304 1.00 75.64 O

ATOM 5 N PRO A 2 -2.823 4.367 -1.723 1.00 78.21 N

ATOM 6 CA PRO A 2 -2.674 3.163 -2.528 1.00 81.97 C

ATOM 7 C PRO A 2 -2.681 1.918 -1.648 1.00 82.91 C

ATOM 8 O PRO A 2 -2.508 1.995 -0.437 1.00 80.57 O

ATOM 9 CB PRO A 2 -1.317 3.363 -3.203 1.00 78.20 C

ATOM 10 CG PRO A 2 -0.555 4.174 -2.218 1.00 74.12 C

ATOM 11 CD PRO A 2 -1.575 5.121 -1.635 1.00 73.27 C

HETATM 12 N HYP A 3 -2.889 0.772 -2.241 1.00 82.27 N

HETATM 13 CA HYP A 3 -2.825 -0.457 -1.545 1.00 83.85 C

HETATM 14 C HYP A 3 -1.451 -0.648 -0.871 1.00 82.97 C

HETATM 15 O HYP A 3 -0.418 -0.151 -1.368 1.00 83.53 O

HETATM 16 CB HYP A 3 -3.050 -1.479 -2.656 1.00 81.61 C

HETATM 17 CG HYP A 3 -3.946 -0.757 -3.593 1.00 79.60 C

HETATM 18 CD HYP A 3 -3.324 0.610 -3.598 1.00 81.40 C

HETATM 19 OD1 HYP A 3 -5.253 -0.672 -3.114 1.00 81.43 O

ATOM 20 N GLY A 4 -1.487 -1.242 0.275 1.00 88.94 N

ATOM 21 CA GLY A 4 -0.274 -1.467 1.008 1.00 87.55 C

ATOM 22 C GLY A 4 0.610 -2.475 0.299 1.00 86.32 C

ATOM 23 O GLY A 4 0.235 -3.037 -0.734 1.00 85.12 O

ATOM 24 N PRO A 5 1.781 -2.698 0.850 1.00 86.21 N

ATOM 25 CA PRO A 5 2.697 -3.649 0.239 1.00 84.87 C

ATOM 26 C PRO A 5 2.184 -5.069 0.388 1.00 84.50 C

ATOM 27 O PRO A 5 1.346 -5.357 1.237 1.00 82.91 O

ATOM 28 CB PRO A 5 3.994 -3.435 1.003 1.00 81.79 C

ATOM 29 CG PRO A 5 3.527 -2.996 2.347 1.00 81.34 C

ATOM 30 CD PRO A 5 2.336 -2.122 2.069 1.00 83.52 C

HETATM 31 N HYP A 6 2.732 -5.968 -0.424 1.00 85.37 N

HETATM 32 CA HYP A 6 2.370 -7.334 -0.287 1.00 87.15 C

HETATM 33 C HYP A 6 2.740 -7.901 1.060 1.00 85.29 C

HETATM 34 O HYP A 6 3.762 -7.505 1.660 1.00 85.15 O

HETATM 35 CB HYP A 6 3.129 -8.010 -1.417 1.00 84.53 C

HETATM 36 CG HYP A 6 3.236 -6.932 -2.450 1.00 82.54 C

HETATM 37 CD HYP A 6 3.470 -5.700 -1.635 1.00 85.96 C

HETATM 38 OD1 HYP A 6 2.052 -6.779 -3.181 1.00 80.14 O

ATOM 39 N GLY A 7 1.858 -8.688 1.622 1.00 85.61 N

ATOM 40 CA GLY A 7 2.098 -9.283 2.906 1.00 82.86 C

ATOM 41 C GLY A 7 3.083 -10.428 2.807 1.00 83.10 C

ATOM 42 O GLY A 7 3.659 -10.681 1.744 1.00 82.02 O

ATOM 43 N PRO A 8 3.256 -11.148 3.880 1.00 84.20 N

ATOM 44 CA PRO A 8 4.121 -12.324 3.864 1.00 84.86 C

ATOM 45 C PRO A 8 3.554 -13.351 2.895 1.00 84.81 C

ATOM 46 O PRO A 8 2.376 -13.301 2.543 1.00 83.35 O

ATOM 47 CB PRO A 8 4.063 -12.847 5.294 1.00 82.22 C

ATOM 48 CG PRO A 8 3.540 -11.725 6.094 1.00 81.51 C

ATOM 49 CD PRO A 8 2.661 -10.928 5.187 1.00 83.27 C