MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 61 O GLY A 10 4.529 -10.374 2.204 1.00 91.15 O
ATOM 62 N GLU A 11 6.172 -10.232 3.720 1.00 91.69 N
ATOM 63 CA GLU A 11 6.634 -11.578 3.412 1.00 93.38 C
ATOM 64 C GLU A 11 5.636 -12.553 4.023 1.00 93.41 C
ATOM 65 O GLU A 11 5.764 -12.944 5.179 1.00 89.99 O
ATOM 66 CB GLU A 11 8.041 -11.801 3.960 1.00 90.90 C
ATOM 67 CG GLU A 11 9.081 -10.918 3.289 1.00 84.72 C
ATOM 68 CD GLU A 11 10.509 -11.298 3.631 1.00 78.63 C
ATOM 69 OE1 GLU A 11 10.724 -12.387 4.189 1.00 74.05 O
ATOM 70 OE2 GLU A 11 11.411 -10.497 3.345 1.00 74.78 O
ATOM 71 N GLN A 12 4.635 -12.901 3.258 1.00 93.39 N
ATOM 72 CA GLN A 12 3.514 -13.743 3.679 1.00 94.49 C
ATOM 73 C GLN A 12 2.503 -12.991 4.536 1.00 94.47 C
ATOM 74 O GLN A 12 1.518 -13.573 4.981 1.00 90.45 O
ATOM 75 CB GLN A 12 3.989 -14.995 4.444 1.00 92.06 C
ATOM 76 CG GLN A 12 5.069 -15.787 3.738 1.00 87.53 C
ATOM 77 CD GLN A 12 4.610 -16.319 2.393 1.00 81.36 C
ATOM 78 OE1 GLN A 12 4.884 -15.714 1.359 1.00 75.49 O
ATOM 79 NE2 GLN A 12 3.907 -17.420 2.414 1.00 74.52 N
ATOM 80 N GLY A 13 2.735 -11.713 4.759 1.00 95.39 N
ATOM 81 CA GLY A 13 1.853 -10.924 5.592 1.00 94.96 C
ATOM 82 C GLY A 13 0.706 -10.300 4.828 1.00 95.34 C
ATOM 83 O GLY A 13 0.651 -10.355 3.600 1.00 94.89 O
ATOM 84 N PRO A 14 -0.226 -9.701 5.556 1.00 94.32 N
ATOM 85 CA PRO A 14 -1.372 -9.057 4.936 1.00 94.25 C
ATOM 86 C PRO A 14 -0.974 -7.746 4.271 1.00 94.22 C
ATOM 87 O PRO A 14 0.117 -7.230 4.483 1.00 92.97 O
ATOM 88 CB PRO A 14 -2.320 -8.819 6.104 1.00 92.58 C
ATOM 89 CG PRO A 14 -1.409 -8.625 7.264 1.00 91.40 C
ATOM 90 CD PRO A 14 -0.275 -9.583 7.027 1.00 92.90 C
HETATM 91 N HYP A 15 -1.911 -7.237 3.474 1.00 94.75 N
HETATM 92 CA HYP A 15 -1.700 -5.941 2.891 1.00 93.55 C
HETATM 93 C HYP A 15 -1.483 -4.893 3.934 1.00 95.17 C
HETATM 94 O HYP A 15 -2.048 -5.005 5.051 1.00 94.67 O
HETATM 95 CB HYP A 15 -3.012 -5.723 2.107 1.00 91.92 C
HETATM 96 CG HYP A 15 -3.518 -7.120 1.802 1.00 89.70 C
HETATM 97 CD HYP A 15 -3.143 -7.886 3.049 1.00 92.69 C
HETATM 98 OD1 HYP A 15 -2.839 -7.627 0.696 1.00 90.32 O
ATOM 99 N GLY A 16 -0.673 -3.913 3.633 1.00 94.92 N
ATOM 100 CA GLY A 16 -0.447 -2.831 4.548 1.00 94.75 C
ATOM 101 C GLY A 16 -1.681 -1.963 4.671 1.00 95.24 C
ATOM 102 O GLY A 16 -2.676 -2.168 3.968 1.00 94.89 O
ATOM 103 N PRO A 17 -1.628 -0.989 5.572 1.00 94.73 N
ATOM 104 CA PRO A 17 -2.772 -0.106 5.764 1.00 94.98 C
ATOM 105 C PRO A 17 -2.986 0.811 4.571 1.00 95.23 C
ATOM 106 O PRO A 17 -2.106 0.982 3.737 1.00 94.04 O
ATOM 107 CB PRO A 17 -2.401 0.679 7.024 1.00 93.33 C
ATOM 108 CG PRO A 17 -0.923 0.643 7.055 1.00 91.65 C
ATOM 109 CD PRO A 17 -0.522 -0.672 6.466 1.00 93.56 C
HETATM 110 N HYP A 18 -4.189 1.381 4.468 1.00 92.78 N
HETATM 111 CA HYP A 18 -4.460 2.323 3.462 1.00 92.29 C
HETATM 112 C HYP A 18 -3.517 3.485 3.467 1.00 94.09 C
HETATM 113 O HYP A 18 -3.045 3.896 4.572 1.00 92.87 O
HETATM 114 CB HYP A 18 -5.904 2.785 3.781 1.00 90.15 C
HETATM 115 CG HYP A 18 -6.530 1.591 4.486 1.00 89.48 C
HETATM 116 CD HYP A 18 -5.354 1.067 5.311 1.00 92.56 C
HETATM 117 OD1 HYP A 18 -6.918 0.624 3.538 1.00 90.43 O
ATOM 118 N GLY A 19 -3.185 3.969 2.322 1.00 92.23 N
ATOM 119 CA GLY A 19 -2.313 5.100 2.218 1.00 92.29 C
ATOM 120 C GLY A 19 -2.973 6.339 2.781 1.00 92.90 C
ATOM 121 O GLY A 19 -4.155 6.335 3.121 1.00 93.05 O
ATOM 122 N PRO A 20 -2.209 7.417 2.887 1.00 90.12 N
ATOM 123 CA PRO A 20 -2.749 8.654 3.431 1.00 90.59 C
ATOM 124 C PRO A 20 -3.737 9.295 2.476 1.00 90.40 C
ATOM 125 O PRO A 20 -3.762 9.001 1.290 1.00 90.69 O
ATOM 126 CB PRO A 20 -1.508 9.518 3.619 1.00 88.08 C
ATOM 127 CG PRO A 20 -0.581 9.036 2.561 1.00 84.58 C
ATOM 128 CD PRO A 20 -0.807 7.551 2.505 1.00 87.26 C
HETATM 129 N HYP A 21 -4.558 10.172 3.017 1.00 91.75 N
HETATM 130 CA HYP A 21 -5.452 10.914 2.200 1.00 90.09 C
HETATM 131 C HYP A 21 -4.779 11.742 1.144 1.00 92.58 C
HETATM 132 O HYP A 21 -3.651 12.222 1.387 1.00 93.86 O
HETATM 133 CB HYP A 21 -6.189 11.816 3.209 1.00 89.76 C
HETATM 134 CG HYP A 21 -6.082 11.087 4.530 1.00 87.23 C
HETATM 135 CD HYP A 21 -4.712 10.445 4.455 1.00 91.17 C
HETATM 136 OD1 HYP A 21 -7.062 10.046 4.567 1.00 89.39 O
ATOM 137 N GLY A 22 -5.331 11.831 0.006 1.00 90.84 N
ATOM 138 CA GLY A 22 -4.790 12.679 -1.013 1.00 89.16 C
ATOM 139 C GLY A 22 -4.986 14.134 -0.625 1.00 89.10 C
ATOM 140 O GLY A 22 -5.519 14.444 0.439 1.00 88.85 O
ATOM 141 N PRO A 23 -4.581 15.062 -1.488 1.00 93.44 N
ATOM 142 CA PRO A 23 -4.760 16.478 -1.198 1.00 93.27 C
ATOM 143 C PRO A 23 -6.228 16.811 -1.017 1.00 92.10 C
ATOM 144 O PRO A 23 -7.096 16.120 -1.535 1.00 88.86 O
ATOM 145 CB PRO A 23 -4.188 17.173 -2.432 1.00 90.38 C
ATOM 146 CG PRO A 23 -3.268 16.172 -3.019 1.00 88.13 C
ATOM 147 CD PRO A 23 -3.900 14.846 -2.751 1.00 91.06 C
HETATM 148 N HYP A 24 -6.559 17.842 -0.339 1.00 92.95 N
HETATM 149 CA HYP A 24 -7.964 18.121 -0.177 1.00 84.74 C
HETATM 150 C HYP A 24 -8.787 17.653 -1.273 1.00 90.17 C
HETATM 151 O HYP A 24 -8.784 18.318 -2.315 1.00 82.64 O
HETATM 152 CB HYP A 24 -8.050 19.546 0.273 1.00 86.81 C
HETATM 153 CG HYP A 24 -6.653 19.898 0.785 1.00 86.00 C
HETATM 154 CD HYP A 24 -5.707 18.951 0.033 1.00 89.80 C
HETATM 155 OD1 HYP A 24 -6.552 19.592 2.178 1.00 85.51 O
HETATM 156 OXT HYP A 24 -9.498 16.640 -1.036 1.00 82.42 O
TER 157 HYP A 24
END
ATOM 1 N GLY A 1 18.144 -29.882 5.805 1.00 81.30 N
ATOM 2 CA GLY A 1 18.651 -28.525 6.008 1.00 83.92 C

ATOM 61 O GLY A 10 4.529 -10.374 2.204 1.00 91.15 O

ATOM 62 N GLU A 11 6.172 -10.232 3.720 1.00 91.69 N

ATOM 63 CA GLU A 11 6.634 -11.578 3.412 1.00 93.38 C

ATOM 64 C GLU A 11 5.636 -12.553 4.023 1.00 93.41 C

ATOM 65 O GLU A 11 5.764 -12.944 5.179 1.00 89.99 O

ATOM 66 CB GLU A 11 8.041 -11.801 3.960 1.00 90.90 C

ATOM 67 CG GLU A 11 9.081 -10.918 3.289 1.00 84.72 C

ATOM 68 CD GLU A 11 10.509 -11.298 3.631 1.00 78.63 C

ATOM 69 OE1 GLU A 11 10.724 -12.387 4.189 1.00 74.05 O

ATOM 70 OE2 GLU A 11 11.411 -10.497 3.345 1.00 74.78 O

ATOM 71 N GLN A 12 4.635 -12.901 3.258 1.00 93.39 N

ATOM 72 CA GLN A 12 3.514 -13.743 3.679 1.00 94.49 C

ATOM 73 C GLN A 12 2.503 -12.991 4.536 1.00 94.47 C

ATOM 74 O GLN A 12 1.518 -13.573 4.981 1.00 90.45 O

ATOM 75 CB GLN A 12 3.989 -14.995 4.444 1.00 92.06 C

ATOM 76 CG GLN A 12 5.069 -15.787 3.738 1.00 87.53 C

ATOM 77 CD GLN A 12 4.610 -16.319 2.393 1.00 81.36 C

ATOM 78 OE1 GLN A 12 4.884 -15.714 1.359 1.00 75.49 O

ATOM 79 NE2 GLN A 12 3.907 -17.420 2.414 1.00 74.52 N

ATOM 80 N GLY A 13 2.735 -11.713 4.759 1.00 95.39 N

ATOM 81 CA GLY A 13 1.853 -10.924 5.592 1.00 94.96 C

ATOM 82 C GLY A 13 0.706 -10.300 4.828 1.00 95.34 C

ATOM 83 O GLY A 13 0.651 -10.355 3.600 1.00 94.89 O

ATOM 84 N PRO A 14 -0.226 -9.701 5.556 1.00 94.32 N

ATOM 85 CA PRO A 14 -1.372 -9.057 4.936 1.00 94.25 C

ATOM 86 C PRO A 14 -0.974 -7.746 4.271 1.00 94.22 C

ATOM 87 O PRO A 14 0.117 -7.230 4.483 1.00 92.97 O

ATOM 88 CB PRO A 14 -2.320 -8.819 6.104 1.00 92.58 C

ATOM 89 CG PRO A 14 -1.409 -8.625 7.264 1.00 91.40 C

ATOM 90 CD PRO A 14 -0.275 -9.583 7.027 1.00 92.90 C

HETATM 91 N HYP A 15 -1.911 -7.237 3.474 1.00 94.75 N

HETATM 92 CA HYP A 15 -1.700 -5.941 2.891 1.00 93.55 C

HETATM 93 C HYP A 15 -1.483 -4.893 3.934 1.00 95.17 C

HETATM 94 O HYP A 15 -2.048 -5.005 5.051 1.00 94.67 O

HETATM 95 CB HYP A 15 -3.012 -5.723 2.107 1.00 91.92 C

HETATM 96 CG HYP A 15 -3.518 -7.120 1.802 1.00 89.70 C

HETATM 97 CD HYP A 15 -3.143 -7.886 3.049 1.00 92.69 C

HETATM 98 OD1 HYP A 15 -2.839 -7.627 0.696 1.00 90.32 O

ATOM 99 N GLY A 16 -0.673 -3.913 3.633 1.00 94.92 N

ATOM 100 CA GLY A 16 -0.447 -2.831 4.548 1.00 94.75 C

ATOM 101 C GLY A 16 -1.681 -1.963 4.671 1.00 95.24 C

ATOM 102 O GLY A 16 -2.676 -2.168 3.968 1.00 94.89 O

ATOM 103 N PRO A 17 -1.628 -0.989 5.572 1.00 94.73 N

ATOM 104 CA PRO A 17 -2.772 -0.106 5.764 1.00 94.98 C

ATOM 105 C PRO A 17 -2.986 0.811 4.571 1.00 95.23 C

ATOM 106 O PRO A 17 -2.106 0.982 3.737 1.00 94.04 O

ATOM 107 CB PRO A 17 -2.401 0.679 7.024 1.00 93.33 C

ATOM 108 CG PRO A 17 -0.923 0.643 7.055 1.00 91.65 C

ATOM 109 CD PRO A 17 -0.522 -0.672 6.466 1.00 93.56 C

HETATM 110 N HYP A 18 -4.189 1.381 4.468 1.00 92.78 N

HETATM 111 CA HYP A 18 -4.460 2.323 3.462 1.00 92.29 C

HETATM 112 C HYP A 18 -3.517 3.485 3.467 1.00 94.09 C

HETATM 113 O HYP A 18 -3.045 3.896 4.572 1.00 92.87 O

HETATM 114 CB HYP A 18 -5.904 2.785 3.781 1.00 90.15 C

HETATM 115 CG HYP A 18 -6.530 1.591 4.486 1.00 89.48 C

HETATM 116 CD HYP A 18 -5.354 1.067 5.311 1.00 92.56 C

HETATM 117 OD1 HYP A 18 -6.918 0.624 3.538 1.00 90.43 O

ATOM 118 N GLY A 19 -3.185 3.969 2.322 1.00 92.23 N

ATOM 119 CA GLY A 19 -2.313 5.100 2.218 1.00 92.29 C

ATOM 120 C GLY A 19 -2.973 6.339 2.781 1.00 92.90 C

ATOM 121 O GLY A 19 -4.155 6.335 3.121 1.00 93.05 O

ATOM 122 N PRO A 20 -2.209 7.417 2.887 1.00 90.12 N

ATOM 123 CA PRO A 20 -2.749 8.654 3.431 1.00 90.59 C

ATOM 124 C PRO A 20 -3.737 9.295 2.476 1.00 90.40 C

ATOM 125 O PRO A 20 -3.762 9.001 1.290 1.00 90.69 O

ATOM 126 CB PRO A 20 -1.508 9.518 3.619 1.00 88.08 C

ATOM 127 CG PRO A 20 -0.581 9.036 2.561 1.00 84.58 C

ATOM 128 CD PRO A 20 -0.807 7.551 2.505 1.00 87.26 C

HETATM 129 N HYP A 21 -4.558 10.172 3.017 1.00 91.75 N

HETATM 130 CA HYP A 21 -5.452 10.914 2.200 1.00 90.09 C

HETATM 131 C HYP A 21 -4.779 11.742 1.144 1.00 92.58 C

HETATM 132 O HYP A 21 -3.651 12.222 1.387 1.00 93.86 O

HETATM 133 CB HYP A 21 -6.189 11.816 3.209 1.00 89.76 C

HETATM 134 CG HYP A 21 -6.082 11.087 4.530 1.00 87.23 C

HETATM 135 CD HYP A 21 -4.712 10.445 4.455 1.00 91.17 C

HETATM 136 OD1 HYP A 21 -7.062 10.046 4.567 1.00 89.39 O

ATOM 137 N GLY A 22 -5.331 11.831 0.006 1.00 90.84 N

ATOM 138 CA GLY A 22 -4.790 12.679 -1.013 1.00 89.16 C

ATOM 139 C GLY A 22 -4.986 14.134 -0.625 1.00 89.10 C

ATOM 140 O GLY A 22 -5.519 14.444 0.439 1.00 88.85 O

ATOM 141 N PRO A 23 -4.581 15.062 -1.488 1.00 93.44 N

ATOM 142 CA PRO A 23 -4.760 16.478 -1.198 1.00 93.27 C

ATOM 143 C PRO A 23 -6.228 16.811 -1.017 1.00 92.10 C

ATOM 144 O PRO A 23 -7.096 16.120 -1.535 1.00 88.86 O

ATOM 145 CB PRO A 23 -4.188 17.173 -2.432 1.00 90.38 C

ATOM 146 CG PRO A 23 -3.268 16.172 -3.019 1.00 88.13 C

ATOM 147 CD PRO A 23 -3.900 14.846 -2.751 1.00 91.06 C

HETATM 148 N HYP A 24 -6.559 17.842 -0.339 1.00 92.95 N

HETATM 149 CA HYP A 24 -7.964 18.121 -0.177 1.00 84.74 C

HETATM 150 C HYP A 24 -8.787 17.653 -1.273 1.00 90.17 C

HETATM 151 O HYP A 24 -8.784 18.318 -2.315 1.00 82.64 O

HETATM 152 CB HYP A 24 -8.050 19.546 0.273 1.00 86.81 C

HETATM 153 CG HYP A 24 -6.653 19.898 0.785 1.00 86.00 C

HETATM 154 CD HYP A 24 -5.707 18.951 0.033 1.00 89.80 C

HETATM 155 OD1 HYP A 24 -6.552 19.592 2.178 1.00 85.51 O

HETATM 156 OXT HYP A 24 -9.498 16.640 -1.036 1.00 82.42 O

TER 157 HYP A 24

END

ATOM 1 N GLY A 1 18.144 -29.882 5.805 1.00 81.30 N

ATOM 2 CA GLY A 1 18.651 -28.525 6.008 1.00 83.92 C