MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 68 CD GLU A 11 -2.411 -4.960 -7.535 1.00 78.96 C
ATOM 69 OE1 GLU A 11 -3.373 -4.732 -6.780 1.00 74.75 O
ATOM 70 OE2 GLU A 11 -2.533 -5.200 -8.742 1.00 75.14 O
ATOM 71 N ILE A 12 0.661 -1.956 -4.056 1.00 90.92 N
ATOM 72 CA ILE A 12 0.570 -0.952 -3.001 1.00 90.88 C
ATOM 73 C ILE A 12 -0.912 -0.745 -2.698 1.00 90.82 C
ATOM 74 O ILE A 12 -1.725 -0.613 -3.617 1.00 87.67 O
ATOM 75 CB ILE A 12 1.229 0.371 -3.432 1.00 87.81 C
ATOM 76 CG1 ILE A 12 2.726 0.150 -3.665 1.00 84.10 C
ATOM 77 CG2 ILE A 12 1.018 1.449 -2.378 1.00 82.03 C
ATOM 78 CD1 ILE A 12 3.437 1.354 -4.252 1.00 76.11 C
ATOM 79 N GLY A 13 -1.233 -0.738 -1.404 1.00 91.01 N
ATOM 80 CA GLY A 13 -2.619 -0.588 -1.009 1.00 89.78 C
ATOM 81 C GLY A 13 -3.216 0.751 -1.390 1.00 90.13 C
ATOM 82 O GLY A 13 -2.505 1.679 -1.787 1.00 89.69 O
ATOM 83 N PRO A 14 -4.552 0.895 -1.266 1.00 89.30 N
ATOM 84 CA PRO A 14 -5.231 2.144 -1.612 1.00 89.86 C
ATOM 85 C PRO A 14 -4.917 3.249 -0.615 1.00 89.11 C
ATOM 86 O PRO A 14 -4.462 2.989 0.493 1.00 87.88 O
ATOM 87 CB PRO A 14 -6.707 1.771 -1.578 1.00 87.85 C
ATOM 88 CG PRO A 14 -6.769 0.664 -0.588 1.00 87.02 C
ATOM 89 CD PRO A 14 -5.498 -0.119 -0.809 1.00 87.79 C
HETATM 90 N HYP A 15 -5.192 4.507 -0.978 1.00 84.97 N
HETATM 91 CA HYP A 15 -5.029 5.643 -0.128 1.00 88.17 C
HETATM 92 C HYP A 15 -5.901 5.573 1.141 1.00 88.08 C
HETATM 93 O HYP A 15 -6.931 4.877 1.142 1.00 85.12 O
HETATM 94 CB HYP A 15 -5.509 6.791 -1.033 1.00 81.70 C
HETATM 95 CG HYP A 15 -5.215 6.281 -2.423 1.00 79.69 C
HETATM 96 CD HYP A 15 -5.538 4.839 -2.293 1.00 85.48 C
HETATM 97 OD1 HYP A 15 -3.872 6.442 -2.743 1.00 84.01 O
ATOM 98 N GLY A 16 -5.453 6.162 2.188 1.00 92.34 N
ATOM 99 CA GLY A 16 -6.207 6.170 3.411 1.00 91.37 C
ATOM 100 C GLY A 16 -7.464 7.011 3.291 1.00 91.81 C
ATOM 101 O GLY A 16 -7.672 7.696 2.283 1.00 91.92 O
ATOM 102 N PRO A 17 -8.324 6.983 4.322 1.00 86.53 N
ATOM 103 CA PRO A 17 -9.566 7.748 4.286 1.00 89.05 C
ATOM 104 C PRO A 17 -9.312 9.240 4.415 1.00 89.12 C
ATOM 105 O PRO A 17 -8.298 9.669 4.945 1.00 89.23 O
ATOM 106 CB PRO A 17 -10.345 7.203 5.485 1.00 88.00 C
ATOM 107 CG PRO A 17 -9.281 6.781 6.432 1.00 85.22 C
ATOM 108 CD PRO A 17 -8.188 6.219 5.558 1.00 86.21 C
HETATM 109 N HYP A 18 -10.235 10.068 3.967 1.00 87.87 N
HETATM 110 CA HYP A 18 -10.184 11.491 4.107 1.00 92.35 C
HETATM 111 C HYP A 18 -10.273 11.926 5.571 1.00 85.66 C
HETATM 112 O HYP A 18 -10.815 11.208 6.438 1.00 91.71 O
HETATM 113 CB HYP A 18 -11.481 11.926 3.401 1.00 88.42 C
HETATM 114 CG HYP A 18 -11.763 10.857 2.405 1.00 84.83 C
HETATM 115 CD HYP A 18 -11.308 9.627 3.117 1.00 88.78 C
HETATM 116 OD1 HYP A 18 -11.018 11.048 1.236 1.00 89.27 O
ATOM 117 N GLY A 19 -9.713 13.069 5.882 1.00 90.43 N
ATOM 118 CA GLY A 19 -9.765 13.606 7.217 1.00 90.28 C
ATOM 119 C GLY A 19 -11.173 14.040 7.577 1.00 90.70 C
ATOM 120 O GLY A 19 -12.080 14.020 6.744 1.00 90.96 O
ATOM 121 N PRO A 20 -11.381 14.465 8.830 1.00 84.23 N
ATOM 122 CA PRO A 20 -12.706 14.888 9.278 1.00 86.16 C
ATOM 123 C PRO A 20 -13.123 16.200 8.630 1.00 85.31 C
ATOM 124 O PRO A 20 -12.282 16.988 8.197 1.00 84.99 O
ATOM 125 CB PRO A 20 -12.536 15.028 10.792 1.00 83.34 C
ATOM 126 CG PRO A 20 -11.090 15.352 10.959 1.00 80.46 C
ATOM 127 CD PRO A 20 -10.389 14.541 9.897 1.00 83.77 C
HETATM 128 N HYP A 21 -14.406 16.466 8.587 1.00 88.85 N
HETATM 129 CA HYP A 21 -14.951 17.708 8.038 1.00 90.36 C
HETATM 130 C HYP A 21 -14.596 18.957 8.856 1.00 85.27 C
HETATM 131 O HYP A 21 -14.414 18.859 10.077 1.00 91.81 O
HETATM 132 CB HYP A 21 -16.491 17.492 8.197 1.00 87.62 C
HETATM 133 CG HYP A 21 -16.695 16.007 8.214 1.00 83.66 C
HETATM 134 CD HYP A 21 -15.450 15.507 8.908 1.00 89.80 C
HETATM 135 OD1 HYP A 21 -16.696 15.513 6.883 1.00 89.52 O
ATOM 136 N GLY A 22 -14.408 20.063 8.211 1.00 89.30 N
ATOM 137 CA GLY A 22 -14.120 21.303 8.873 1.00 88.69 C
ATOM 138 C GLY A 22 -15.353 21.828 9.595 1.00 89.02 C
ATOM 139 O GLY A 22 -16.427 21.232 9.524 1.00 87.50 O
ATOM 140 N PRO A 23 -15.249 22.990 10.265 1.00 87.51 N
ATOM 141 CA PRO A 23 -16.391 23.558 10.977 1.00 89.09 C
ATOM 142 C PRO A 23 -17.442 24.062 10.014 1.00 88.12 C
ATOM 143 O PRO A 23 -17.146 24.385 8.866 1.00 84.13 O
ATOM 144 CB PRO A 23 -15.769 24.689 11.795 1.00 84.59 C
ATOM 145 CG PRO A 23 -14.587 25.088 10.994 1.00 81.73 C
ATOM 146 CD PRO A 23 -14.056 23.807 10.410 1.00 83.96 C
HETATM 147 N HYP A 24 -18.702 24.236 10.464 1.00 89.26 N
HETATM 148 CA HYP A 24 -19.732 24.683 9.531 1.00 83.13 C
HETATM 149 C HYP A 24 -19.442 26.022 8.968 1.00 88.99 C
HETATM 150 O HYP A 24 -19.988 27.053 9.303 1.00 81.81 O
HETATM 151 CB HYP A 24 -21.013 24.779 10.414 1.00 86.28 C
HETATM 152 CG HYP A 24 -20.740 23.968 11.622 1.00 82.05 C
HETATM 153 CD HYP A 24 -19.216 24.045 11.790 1.00 88.85 C
HETATM 154 OD1 HYP A 24 -21.090 22.638 11.381 1.00 82.48 O
HETATM 155 OXT HYP A 24 -18.532 25.987 8.164 1.00 80.05 O
TER 156 HYP A 24
END
ATOM 1 N GLY A 1 -20.619 28.100 4.255 1.00 86.30 N
ATOM 2 CA GLY A 1 -19.575 28.252 3.249 1.00 89.42 C
ATOM 3 C GLY A 1 -19.465 27.026 2.369 1.00 90.54 C
ATOM 4 O GLY A 1 -20.087 25.997 2.653 1.00 86.89 O
ATOM 5 N PRO A 2 -18.680 27.084 1.308 1.00 88.82 N
ATOM 6 CA PRO A 2 -18.513 25.938 0.409 1.00 90.98 C
ATOM 7 C PRO A 2 -17.722 24.819 1.078 1.00 91.40 C
ATOM 8 O PRO A 2 -16.986 25.047 2.031 1.00 89.44 O
ATOM 9 CB PRO A 2 -17.768 26.526 -0.787 1.00 88.02 C
ATOM 10 CG PRO A 2 -16.975 27.634 -0.183 1.00 85.11 C

ATOM 68 CD GLU A 11 -2.411 -4.960 -7.535 1.00 78.96 C

ATOM 69 OE1 GLU A 11 -3.373 -4.732 -6.780 1.00 74.75 O

ATOM 70 OE2 GLU A 11 -2.533 -5.200 -8.742 1.00 75.14 O

ATOM 71 N ILE A 12 0.661 -1.956 -4.056 1.00 90.92 N

ATOM 72 CA ILE A 12 0.570 -0.952 -3.001 1.00 90.88 C

ATOM 73 C ILE A 12 -0.912 -0.745 -2.698 1.00 90.82 C

ATOM 74 O ILE A 12 -1.725 -0.613 -3.617 1.00 87.67 O

ATOM 75 CB ILE A 12 1.229 0.371 -3.432 1.00 87.81 C

ATOM 76 CG1 ILE A 12 2.726 0.150 -3.665 1.00 84.10 C

ATOM 77 CG2 ILE A 12 1.018 1.449 -2.378 1.00 82.03 C

ATOM 78 CD1 ILE A 12 3.437 1.354 -4.252 1.00 76.11 C

ATOM 79 N GLY A 13 -1.233 -0.738 -1.404 1.00 91.01 N

ATOM 80 CA GLY A 13 -2.619 -0.588 -1.009 1.00 89.78 C

ATOM 81 C GLY A 13 -3.216 0.751 -1.390 1.00 90.13 C

ATOM 82 O GLY A 13 -2.505 1.679 -1.787 1.00 89.69 O

ATOM 83 N PRO A 14 -4.552 0.895 -1.266 1.00 89.30 N

ATOM 84 CA PRO A 14 -5.231 2.144 -1.612 1.00 89.86 C

ATOM 85 C PRO A 14 -4.917 3.249 -0.615 1.00 89.11 C

ATOM 86 O PRO A 14 -4.462 2.989 0.493 1.00 87.88 O

ATOM 87 CB PRO A 14 -6.707 1.771 -1.578 1.00 87.85 C

ATOM 88 CG PRO A 14 -6.769 0.664 -0.588 1.00 87.02 C

ATOM 89 CD PRO A 14 -5.498 -0.119 -0.809 1.00 87.79 C

HETATM 90 N HYP A 15 -5.192 4.507 -0.978 1.00 84.97 N

HETATM 91 CA HYP A 15 -5.029 5.643 -0.128 1.00 88.17 C

HETATM 92 C HYP A 15 -5.901 5.573 1.141 1.00 88.08 C

HETATM 93 O HYP A 15 -6.931 4.877 1.142 1.00 85.12 O

HETATM 94 CB HYP A 15 -5.509 6.791 -1.033 1.00 81.70 C

HETATM 95 CG HYP A 15 -5.215 6.281 -2.423 1.00 79.69 C

HETATM 96 CD HYP A 15 -5.538 4.839 -2.293 1.00 85.48 C

HETATM 97 OD1 HYP A 15 -3.872 6.442 -2.743 1.00 84.01 O

ATOM 98 N GLY A 16 -5.453 6.162 2.188 1.00 92.34 N

ATOM 99 CA GLY A 16 -6.207 6.170 3.411 1.00 91.37 C

ATOM 100 C GLY A 16 -7.464 7.011 3.291 1.00 91.81 C

ATOM 101 O GLY A 16 -7.672 7.696 2.283 1.00 91.92 O

ATOM 102 N PRO A 17 -8.324 6.983 4.322 1.00 86.53 N

ATOM 103 CA PRO A 17 -9.566 7.748 4.286 1.00 89.05 C

ATOM 104 C PRO A 17 -9.312 9.240 4.415 1.00 89.12 C

ATOM 105 O PRO A 17 -8.298 9.669 4.945 1.00 89.23 O

ATOM 106 CB PRO A 17 -10.345 7.203 5.485 1.00 88.00 C

ATOM 107 CG PRO A 17 -9.281 6.781 6.432 1.00 85.22 C

ATOM 108 CD PRO A 17 -8.188 6.219 5.558 1.00 86.21 C

HETATM 109 N HYP A 18 -10.235 10.068 3.967 1.00 87.87 N

HETATM 110 CA HYP A 18 -10.184 11.491 4.107 1.00 92.35 C

HETATM 111 C HYP A 18 -10.273 11.926 5.571 1.00 85.66 C

HETATM 112 O HYP A 18 -10.815 11.208 6.438 1.00 91.71 O

HETATM 113 CB HYP A 18 -11.481 11.926 3.401 1.00 88.42 C

HETATM 114 CG HYP A 18 -11.763 10.857 2.405 1.00 84.83 C

HETATM 115 CD HYP A 18 -11.308 9.627 3.117 1.00 88.78 C

HETATM 116 OD1 HYP A 18 -11.018 11.048 1.236 1.00 89.27 O

ATOM 117 N GLY A 19 -9.713 13.069 5.882 1.00 90.43 N

ATOM 118 CA GLY A 19 -9.765 13.606 7.217 1.00 90.28 C

ATOM 119 C GLY A 19 -11.173 14.040 7.577 1.00 90.70 C

ATOM 120 O GLY A 19 -12.080 14.020 6.744 1.00 90.96 O

ATOM 121 N PRO A 20 -11.381 14.465 8.830 1.00 84.23 N

ATOM 122 CA PRO A 20 -12.706 14.888 9.278 1.00 86.16 C

ATOM 123 C PRO A 20 -13.123 16.200 8.630 1.00 85.31 C

ATOM 124 O PRO A 20 -12.282 16.988 8.197 1.00 84.99 O

ATOM 125 CB PRO A 20 -12.536 15.028 10.792 1.00 83.34 C

ATOM 126 CG PRO A 20 -11.090 15.352 10.959 1.00 80.46 C

ATOM 127 CD PRO A 20 -10.389 14.541 9.897 1.00 83.77 C

HETATM 128 N HYP A 21 -14.406 16.466 8.587 1.00 88.85 N

HETATM 129 CA HYP A 21 -14.951 17.708 8.038 1.00 90.36 C

HETATM 130 C HYP A 21 -14.596 18.957 8.856 1.00 85.27 C

HETATM 131 O HYP A 21 -14.414 18.859 10.077 1.00 91.81 O

HETATM 132 CB HYP A 21 -16.491 17.492 8.197 1.00 87.62 C

HETATM 133 CG HYP A 21 -16.695 16.007 8.214 1.00 83.66 C

HETATM 134 CD HYP A 21 -15.450 15.507 8.908 1.00 89.80 C

HETATM 135 OD1 HYP A 21 -16.696 15.513 6.883 1.00 89.52 O

ATOM 136 N GLY A 22 -14.408 20.063 8.211 1.00 89.30 N

ATOM 137 CA GLY A 22 -14.120 21.303 8.873 1.00 88.69 C

ATOM 138 C GLY A 22 -15.353 21.828 9.595 1.00 89.02 C

ATOM 139 O GLY A 22 -16.427 21.232 9.524 1.00 87.50 O

ATOM 140 N PRO A 23 -15.249 22.990 10.265 1.00 87.51 N

ATOM 141 CA PRO A 23 -16.391 23.558 10.977 1.00 89.09 C

ATOM 142 C PRO A 23 -17.442 24.062 10.014 1.00 88.12 C

ATOM 143 O PRO A 23 -17.146 24.385 8.866 1.00 84.13 O

ATOM 144 CB PRO A 23 -15.769 24.689 11.795 1.00 84.59 C

ATOM 145 CG PRO A 23 -14.587 25.088 10.994 1.00 81.73 C

ATOM 146 CD PRO A 23 -14.056 23.807 10.410 1.00 83.96 C

HETATM 147 N HYP A 24 -18.702 24.236 10.464 1.00 89.26 N

HETATM 148 CA HYP A 24 -19.732 24.683 9.531 1.00 83.13 C

HETATM 149 C HYP A 24 -19.442 26.022 8.968 1.00 88.99 C

HETATM 150 O HYP A 24 -19.988 27.053 9.303 1.00 81.81 O

HETATM 151 CB HYP A 24 -21.013 24.779 10.414 1.00 86.28 C

HETATM 152 CG HYP A 24 -20.740 23.968 11.622 1.00 82.05 C

HETATM 153 CD HYP A 24 -19.216 24.045 11.790 1.00 88.85 C

HETATM 154 OD1 HYP A 24 -21.090 22.638 11.381 1.00 82.48 O

HETATM 155 OXT HYP A 24 -18.532 25.987 8.164 1.00 80.05 O

TER 156 HYP A 24

END

ATOM 1 N GLY A 1 -20.619 28.100 4.255 1.00 86.30 N

ATOM 2 CA GLY A 1 -19.575 28.252 3.249 1.00 89.42 C

ATOM 3 C GLY A 1 -19.465 27.026 2.369 1.00 90.54 C

ATOM 4 O GLY A 1 -20.087 25.997 2.653 1.00 86.89 O

ATOM 5 N PRO A 2 -18.680 27.084 1.308 1.00 88.82 N

ATOM 6 CA PRO A 2 -18.513 25.938 0.409 1.00 90.98 C

ATOM 7 C PRO A 2 -17.722 24.819 1.078 1.00 91.40 C

ATOM 8 O PRO A 2 -16.986 25.047 2.031 1.00 89.44 O

ATOM 9 CB PRO A 2 -17.768 26.526 -0.787 1.00 88.02 C

ATOM 10 CG PRO A 2 -16.975 27.634 -0.183 1.00 85.11 C