MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C
ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C
ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O
ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C
ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C
ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C
HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N
HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C
HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C
HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O
HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C
HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C
HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C
HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O
ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N
ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C
ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C
ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O
ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N
ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C
ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C
ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O
ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C
ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C
ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C
HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N
HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C
HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C
HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O
HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C
HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C
HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C
HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O
ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N
ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C
ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C
ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O
ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N
ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C
ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C
ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O
ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C
ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C
ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C
HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N
HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C
HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C
HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O
HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C
HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C
HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C
HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O
ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N
ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C
ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C
ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O
ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N
ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C
ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C
ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O
ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C
ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C
ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C
HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N
HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C
HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C
HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O
HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C
HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C
HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C
HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O
HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O
TER 154 HYP A 24
END
ATOM 1 N GLY A 1 18.010 -29.971 -5.553 1.00 92.80 N
ATOM 2 CA GLY A 1 18.533 -28.704 -5.056 1.00 94.53 C
ATOM 3 C GLY A 1 17.515 -27.978 -4.205 1.00 94.82 C
ATOM 4 O GLY A 1 16.349 -28.376 -4.160 1.00 93.56 O
ATOM 5 N PRO A 2 17.900 -26.897 -3.528 1.00 94.02 N
ATOM 6 CA PRO A 2 16.972 -26.150 -2.680 1.00 94.98 C
ATOM 7 C PRO A 2 15.937 -25.392 -3.503 1.00 94.84 C
ATOM 8 O PRO A 2 16.166 -25.080 -4.664 1.00 94.77 O
ATOM 9 CB PRO A 2 17.880 -25.189 -1.908 1.00 92.96 C
ATOM 10 CG PRO A 2 19.044 -24.995 -2.811 1.00 89.19 C
ATOM 11 CD PRO A 2 19.246 -26.314 -3.505 1.00 91.35 C
HETATM 12 N HYP A 3 14.878 -25.148 -2.931 1.00 93.06 N
HETATM 13 CA HYP A 3 13.776 -24.299 -3.534 1.00 91.55 C
HETATM 14 C HYP A 3 14.245 -22.889 -3.866 1.00 92.38 C
HETATM 15 O HYP A 3 15.125 -22.342 -3.182 1.00 93.93 O
HETATM 16 CB HYP A 3 12.747 -24.292 -2.412 1.00 92.59 C
HETATM 17 CG HYP A 3 13.028 -25.512 -1.533 1.00 90.16 C
HETATM 18 CD HYP A 3 14.564 -25.609 -1.576 1.00 93.01 C
HETATM 19 OD1 HYP A 3 12.478 -26.672 -2.098 1.00 92.76 O
ATOM 20 N GLY A 4 13.670 -22.303 -4.896 1.00 94.32 N
ATOM 21 CA GLY A 4 13.970 -20.938 -5.246 1.00 93.29 C
ATOM 22 C GLY A 4 13.363 -19.968 -4.244 1.00 93.31 C
ATOM 23 O GLY A 4 12.554 -20.350 -3.404 1.00 94.09 O
ATOM 24 N PRO A 5 13.740 -18.694 -4.337 1.00 94.42 N
ATOM 25 CA PRO A 5 13.212 -17.696 -3.405 1.00 94.88 C
ATOM 26 C PRO A 5 11.755 -17.366 -3.694 1.00 94.53 C

ATOM 82 CA PRO A 14 -3.208 -2.590 -0.834 1.00 90.97 C

ATOM 83 C PRO A 14 -3.955 -2.262 -2.118 1.00 91.02 C

ATOM 84 O PRO A 14 -3.710 -1.241 -2.746 1.00 89.28 O

ATOM 85 CB PRO A 14 -3.954 -2.085 0.401 1.00 89.60 C

ATOM 86 CG PRO A 14 -3.401 -0.724 0.621 1.00 88.98 C

ATOM 87 CD PRO A 14 -1.942 -0.827 0.248 1.00 89.98 C

HETATM 88 N HYP A 15 -4.893 -3.123 -2.515 1.00 86.98 N

HETATM 89 CA HYP A 15 -5.742 -2.831 -3.629 1.00 89.95 C

HETATM 90 C HYP A 15 -6.539 -1.547 -3.435 1.00 86.75 C

HETATM 91 O HYP A 15 -6.845 -1.167 -2.302 1.00 88.19 O

HETATM 92 CB HYP A 15 -6.694 -4.061 -3.629 1.00 85.98 C

HETATM 93 CG HYP A 15 -5.859 -5.139 -3.039 1.00 82.95 C

HETATM 94 CD HYP A 15 -5.096 -4.414 -1.970 1.00 87.35 C

HETATM 95 OD1 HYP A 15 -4.931 -5.655 -3.968 1.00 88.44 O

ATOM 96 N GLY A 16 -6.794 -0.859 -4.511 1.00 90.54 N

ATOM 97 CA GLY A 16 -7.573 0.344 -4.442 1.00 88.69 C

ATOM 98 C GLY A 16 -9.000 0.054 -3.994 1.00 89.73 C

ATOM 99 O GLY A 16 -9.427 -1.106 -3.950 1.00 89.53 O

ATOM 100 N PRO A 17 -9.739 1.107 -3.674 1.00 86.52 N

ATOM 101 CA PRO A 17 -11.120 0.913 -3.240 1.00 87.76 C

ATOM 102 C PRO A 17 -12.006 0.482 -4.395 1.00 87.32 C

ATOM 103 O PRO A 17 -11.680 0.690 -5.559 1.00 86.11 O

ATOM 104 CB PRO A 17 -11.514 2.290 -2.708 1.00 86.04 C

ATOM 105 CG PRO A 17 -10.663 3.224 -3.488 1.00 83.80 C

ATOM 106 CD PRO A 17 -9.349 2.510 -3.678 1.00 85.11 C

HETATM 107 N HYP A 18 -13.138 -0.124 -4.109 1.00 85.25 N

HETATM 108 CA HYP A 18 -14.122 -0.443 -5.103 1.00 90.27 C

HETATM 109 C HYP A 18 -14.561 0.765 -5.880 1.00 86.15 C

HETATM 110 O HYP A 18 -14.558 1.892 -5.363 1.00 88.93 O

HETATM 111 CB HYP A 18 -15.260 -1.018 -4.284 1.00 88.19 C

HETATM 112 CG HYP A 18 -14.582 -1.602 -3.101 1.00 84.21 C

HETATM 113 CD HYP A 18 -13.481 -0.602 -2.830 1.00 86.79 C

HETATM 114 OD1 HYP A 18 -13.985 -2.850 -3.397 1.00 89.42 O

ATOM 115 N GLY A 19 -14.884 0.577 -7.147 1.00 89.62 N

ATOM 116 CA GLY A 19 -15.376 1.650 -7.965 1.00 88.36 C

ATOM 117 C GLY A 19 -16.724 2.151 -7.478 1.00 88.42 C

ATOM 118 O GLY A 19 -17.346 1.547 -6.594 1.00 87.23 O

ATOM 119 N PRO A 20 -17.195 3.248 -8.050 1.00 82.81 N

ATOM 120 CA PRO A 20 -18.479 3.797 -7.642 1.00 83.08 C

ATOM 121 C PRO A 20 -19.630 2.920 -8.097 1.00 82.31 C

ATOM 122 O PRO A 20 -19.487 2.093 -8.989 1.00 80.81 O

ATOM 123 CB PRO A 20 -18.499 5.162 -8.328 1.00 79.98 C

ATOM 124 CG PRO A 20 -17.656 4.963 -9.539 1.00 76.50 C

ATOM 125 CD PRO A 20 -16.559 4.025 -9.111 1.00 78.48 C

HETATM 126 N HYP A 21 -20.810 3.060 -7.507 1.00 89.16 N

HETATM 127 CA HYP A 21 -21.973 2.366 -7.908 1.00 89.49 C

HETATM 128 C HYP A 21 -22.342 2.608 -9.360 1.00 90.49 C

HETATM 129 O HYP A 21 -22.051 3.684 -9.883 1.00 89.14 O

HETATM 130 CB HYP A 21 -23.067 2.948 -7.002 1.00 89.53 C

HETATM 131 CG HYP A 21 -22.330 3.367 -5.775 1.00 87.68 C

HETATM 132 CD HYP A 21 -21.018 3.884 -6.352 1.00 89.61 C

HETATM 133 OD1 HYP A 21 -22.044 2.257 -4.942 1.00 88.03 O

ATOM 134 N GLY A 22 -22.925 1.654 -10.017 1.00 85.04 N

ATOM 135 CA GLY A 22 -23.360 1.816 -11.377 1.00 83.28 C

ATOM 136 C GLY A 22 -24.431 2.891 -11.495 1.00 82.20 C

ATOM 137 O GLY A 22 -24.965 3.368 -10.494 1.00 80.11 O

ATOM 138 N PRO A 23 -24.774 3.258 -12.725 1.00 81.63 N

ATOM 139 CA PRO A 23 -25.785 4.292 -12.929 1.00 82.98 C

ATOM 140 C PRO A 23 -27.165 3.787 -12.557 1.00 82.14 C

ATOM 141 O PRO A 23 -27.420 2.584 -12.531 1.00 78.22 O

ATOM 142 CB PRO A 23 -25.672 4.607 -14.416 1.00 77.53 C

ATOM 143 CG PRO A 23 -25.192 3.333 -15.009 1.00 72.37 C

ATOM 144 CD PRO A 23 -24.258 2.745 -13.993 1.00 72.88 C

HETATM 145 N HYP A 24 -28.094 4.648 -12.301 1.00 85.29 N

HETATM 146 CA HYP A 24 -29.432 4.187 -12.044 1.00 85.01 C

HETATM 147 C HYP A 24 -29.967 3.569 -13.331 1.00 85.56 C

HETATM 148 O HYP A 24 -30.600 2.590 -13.210 1.00 82.86 O

HETATM 149 CB HYP A 24 -30.230 5.519 -11.835 1.00 86.59 C

HETATM 150 CG HYP A 24 -29.222 6.537 -11.442 1.00 86.16 C

HETATM 151 CD HYP A 24 -27.940 6.073 -12.137 1.00 84.67 C

HETATM 152 OD1 HYP A 24 -29.005 6.446 -10.050 1.00 81.81 O

HETATM 153 OXT HYP A 24 -29.678 4.136 -14.412 1.00 78.57 O

TER 154 HYP A 24

END

ATOM 1 N GLY A 1 18.010 -29.971 -5.553 1.00 92.80 N

ATOM 2 CA GLY A 1 18.533 -28.704 -5.056 1.00 94.53 C

ATOM 3 C GLY A 1 17.515 -27.978 -4.205 1.00 94.82 C

ATOM 4 O GLY A 1 16.349 -28.376 -4.160 1.00 93.56 O

ATOM 5 N PRO A 2 17.900 -26.897 -3.528 1.00 94.02 N

ATOM 6 CA PRO A 2 16.972 -26.150 -2.680 1.00 94.98 C

ATOM 7 C PRO A 2 15.937 -25.392 -3.503 1.00 94.84 C

ATOM 8 O PRO A 2 16.166 -25.080 -4.664 1.00 94.77 O

ATOM 9 CB PRO A 2 17.880 -25.189 -1.908 1.00 92.96 C

ATOM 10 CG PRO A 2 19.044 -24.995 -2.811 1.00 89.19 C

ATOM 11 CD PRO A 2 19.246 -26.314 -3.505 1.00 91.35 C

HETATM 12 N HYP A 3 14.878 -25.148 -2.931 1.00 93.06 N

HETATM 13 CA HYP A 3 13.776 -24.299 -3.534 1.00 91.55 C

HETATM 14 C HYP A 3 14.245 -22.889 -3.866 1.00 92.38 C

HETATM 15 O HYP A 3 15.125 -22.342 -3.182 1.00 93.93 O

HETATM 16 CB HYP A 3 12.747 -24.292 -2.412 1.00 92.59 C

HETATM 17 CG HYP A 3 13.028 -25.512 -1.533 1.00 90.16 C

HETATM 18 CD HYP A 3 14.564 -25.609 -1.576 1.00 93.01 C

HETATM 19 OD1 HYP A 3 12.478 -26.672 -2.098 1.00 92.76 O

ATOM 20 N GLY A 4 13.670 -22.303 -4.896 1.00 94.32 N

ATOM 21 CA GLY A 4 13.970 -20.938 -5.246 1.00 93.29 C

ATOM 22 C GLY A 4 13.363 -19.968 -4.244 1.00 93.31 C

ATOM 23 O GLY A 4 12.554 -20.350 -3.404 1.00 94.09 O

ATOM 24 N PRO A 5 13.740 -18.694 -4.337 1.00 94.42 N

ATOM 25 CA PRO A 5 13.212 -17.696 -3.405 1.00 94.88 C

ATOM 26 C PRO A 5 11.755 -17.366 -3.694 1.00 94.53 C