MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 111 CD HYP A 18 7.848 -11.868 2.472 1.00 91.51 C
HETATM 112 OD1 HYP A 18 9.820 -10.628 2.998 1.00 89.68 O
ATOM 113 N GLY A 19 9.750 -13.224 -1.648 1.00 91.91 N
ATOM 114 CA GLY A 19 9.733 -14.261 -2.646 1.00 91.58 C
ATOM 115 C GLY A 19 10.342 -15.536 -2.090 1.00 92.33 C
ATOM 116 O GLY A 19 10.926 -15.538 -1.005 1.00 91.86 O
ATOM 117 N PRO A 20 10.225 -16.647 -2.823 1.00 91.41 N
ATOM 118 CA PRO A 20 10.775 -17.915 -2.359 1.00 90.95 C
ATOM 119 C PRO A 20 12.291 -17.922 -2.432 1.00 91.13 C
ATOM 120 O PRO A 20 12.883 -17.154 -3.181 1.00 89.87 O
ATOM 121 CB PRO A 20 10.145 -18.929 -3.311 1.00 88.10 C
ATOM 122 CG PRO A 20 9.967 -18.148 -4.568 1.00 85.30 C
ATOM 123 CD PRO A 20 9.544 -16.774 -4.103 1.00 87.83 C
HETATM 124 N HYP A 21 12.962 -18.803 -1.660 1.00 94.79 N
HETATM 125 CA HYP A 21 14.384 -18.934 -1.730 1.00 93.17 C
HETATM 126 C HYP A 21 14.885 -19.339 -3.107 1.00 95.18 C
HETATM 127 O HYP A 21 14.153 -20.035 -3.835 1.00 92.78 O
HETATM 128 CB HYP A 21 14.670 -20.120 -0.745 1.00 92.35 C
HETATM 129 CG HYP A 21 13.526 -20.085 0.243 1.00 89.82 C
HETATM 130 CD HYP A 21 12.367 -19.635 -0.614 1.00 91.35 C
HETATM 131 OD1 HYP A 21 13.747 -19.108 1.260 1.00 89.87 O
ATOM 132 N GLY A 22 16.048 -18.888 -3.537 1.00 89.84 N
ATOM 133 CA GLY A 22 16.598 -19.232 -4.814 1.00 89.27 C
ATOM 134 C GLY A 22 16.889 -20.725 -4.901 1.00 90.04 C
ATOM 135 O GLY A 22 16.859 -21.428 -3.887 1.00 88.74 O
ATOM 136 N PRO A 23 17.215 -21.238 -6.097 1.00 90.84 N
ATOM 137 CA PRO A 23 17.494 -22.658 -6.259 1.00 91.17 C
ATOM 138 C PRO A 23 18.791 -23.044 -5.576 1.00 90.74 C
ATOM 139 O PRO A 23 19.701 -22.218 -5.447 1.00 87.03 O
ATOM 140 CB PRO A 23 17.551 -22.847 -7.767 1.00 86.78 C
ATOM 141 CG PRO A 23 17.993 -21.517 -8.264 1.00 82.39 C
ATOM 142 CD PRO A 23 17.292 -20.530 -7.366 1.00 85.22 C
HETATM 143 N HYP A 24 18.974 -24.297 -5.172 1.00 92.89 N
HETATM 144 CA HYP A 24 20.237 -24.683 -4.521 1.00 87.93 C
HETATM 145 C HYP A 24 21.385 -24.547 -5.490 1.00 90.25 C
HETATM 146 O HYP A 24 22.468 -24.351 -5.066 1.00 88.84 O
HETATM 147 CB HYP A 24 20.011 -26.233 -4.267 1.00 90.84 C
HETATM 148 CG HYP A 24 18.541 -26.471 -4.287 1.00 88.92 C
HETATM 149 CD HYP A 24 18.009 -25.393 -5.236 1.00 90.81 C
HETATM 150 OD1 HYP A 24 18.002 -26.228 -2.989 1.00 85.00 O
HETATM 151 OXT HYP A 24 21.141 -24.651 -6.715 1.00 85.25 O
TER 152 HYP A 24
END
ATOM 1 N GLY A 1 56.389 -14.179-109.446 1.00 58.57 N
ATOM 2 CA GLY A 1 54.967 -14.255-109.082 1.00 63.84 C
ATOM 3 C GLY A 1 54.665 -13.192-108.053 1.00 60.52 C
ATOM 4 O GLY A 1 55.528 -12.943-107.213 1.00 57.55 O
ATOM 5 N LEU A 2 53.507 -12.530-108.147 1.00 62.63 N
ATOM 6 CA LEU A 2 53.067 -11.559-107.149 1.00 69.46 C
ATOM 7 C LEU A 2 52.725 -12.281-105.835 1.00 64.93 C
ATOM 8 O LEU A 2 52.203 -13.396-105.884 1.00 64.10 O
ATOM 9 CB LEU A 2 51.851 -10.777-107.691 1.00 68.81 C
ATOM 10 CG LEU A 2 52.179 -9.833-108.864 1.00 60.91 C
ATOM 11 CD1 LEU A 2 50.900 -9.375-109.563 1.00 56.82 C
ATOM 12 CD2 LEU A 2 52.942 -8.592-108.384 1.00 55.70 C
ATOM 13 N PRO A 3 52.966 -11.677-104.634 1.00 64.91 N
ATOM 14 CA PRO A 3 52.537 -12.238-103.354 1.00 69.84 C
ATOM 15 C PRO A 3 51.010 -12.382-103.321 1.00 66.87 C
ATOM 16 O PRO A 3 50.292 -11.479-103.745 1.00 64.68 O
ATOM 17 CB PRO A 3 53.027 -11.259-102.274 1.00 70.23 C
ATOM 18 CG PRO A 3 54.082 -10.417-102.968 1.00 65.90 C
ATOM 19 CD PRO A 3 53.665 -10.404-104.428 1.00 67.60 C
ATOM 20 N GLY A 4 50.539 -13.497-102.817 1.00 68.68 N
ATOM 21 CA GLY A 4 49.107 -13.736-102.641 1.00 69.47 C
ATOM 22 C GLY A 4 48.452 -12.712-101.706 1.00 67.66 C
ATOM 23 O GLY A 4 49.134 -12.146-100.849 1.00 67.22 O
ATOM 24 N PRO A 5 47.134 -12.459-101.842 1.00 58.68 N
ATOM 25 CA PRO A 5 46.411 -11.526-100.985 1.00 64.49 C
ATOM 26 C PRO A 5 46.484 -11.975 -99.520 1.00 61.48 C
ATOM 27 O PRO A 5 46.456 -13.169 -99.206 1.00 61.25 O
ATOM 28 CB PRO A 5 44.976 -11.476-101.528 1.00 65.49 C
ATOM 29 CG PRO A 5 44.809 -12.832-102.210 1.00 63.12 C
ATOM 30 CD PRO A 5 46.208 -13.131-102.748 1.00 64.52 C
ATOM 31 N ARG A 6 46.599 -10.994 -98.605 1.00 67.76 N
ATOM 32 CA ARG A 6 46.575 -11.231 -97.161 1.00 72.89 C
ATOM 33 C ARG A 6 45.221 -11.815 -96.778 1.00 67.47 C
ATOM 34 O ARG A 6 44.198 -11.261 -97.160 1.00 63.27 O
ATOM 35 CB ARG A 6 46.869 -9.910 -96.431 1.00 70.90 C
ATOM 36 CG ARG A 6 47.063 -10.084 -94.917 1.00 67.50 C
ATOM 37 CD ARG A 6 47.465 -8.738 -94.293 1.00 64.04 C
ATOM 38 NE ARG A 6 47.804 -8.852 -92.869 1.00 59.72 N
ATOM 39 CZ ARG A 6 48.350 -7.915 -92.122 1.00 54.63 C
ATOM 40 NH1 ARG A 6 48.634 -6.725 -92.595 1.00 54.19 N
ATOM 41 NH2 ARG A 6 48.633 -8.147 -90.871 1.00 53.30 N
ATOM 42 N GLY A 7 45.206 -12.921 -96.056 1.00 68.49 N
ATOM 43 CA GLY A 7 43.978 -13.569 -95.607 1.00 68.67 C
ATOM 44 C GLY A 7 43.078 -12.612 -94.823 1.00 67.80 C
ATOM 45 O GLY A 7 43.575 -11.761 -94.074 1.00 66.16 O
ATOM 46 N GLU A 8 41.772 -12.748 -95.020 1.00 56.56 N
ATOM 47 CA GLU A 8 40.762 -11.962 -94.305 1.00 63.48 C
ATOM 48 C GLU A 8 40.858 -12.195 -92.794 1.00 59.14 C
ATOM 49 O GLU A 8 41.146 -13.294 -92.312 1.00 58.50 O
ATOM 50 CB GLU A 8 39.345 -12.269 -94.822 1.00 63.28 C
ATOM 51 CG GLU A 8 39.158 -11.807 -96.283 1.00 57.86 C
ATOM 52 CD GLU A 8 37.709 -12.004 -96.801 1.00 55.13 C
ATOM 53 OE1 GLU A 8 37.380 -11.344 -97.820 1.00 51.75 O
ATOM 54 OE2 GLU A 8 36.971 -12.801 -96.197 1.00 52.55 O
ATOM 55 N GLN A 9 40.649 -11.126 -92.028 1.00 65.67 N
ATOM 56 CA GLN A 9 40.629 -11.201 -90.572 1.00 70.05 C
ATOM 57 C GLN A 9 39.440 -12.051 -90.125 1.00 66.19 C

HETATM 111 CD HYP A 18 7.848 -11.868 2.472 1.00 91.51 C

HETATM 112 OD1 HYP A 18 9.820 -10.628 2.998 1.00 89.68 O

ATOM 113 N GLY A 19 9.750 -13.224 -1.648 1.00 91.91 N

ATOM 114 CA GLY A 19 9.733 -14.261 -2.646 1.00 91.58 C

ATOM 115 C GLY A 19 10.342 -15.536 -2.090 1.00 92.33 C

ATOM 116 O GLY A 19 10.926 -15.538 -1.005 1.00 91.86 O

ATOM 117 N PRO A 20 10.225 -16.647 -2.823 1.00 91.41 N

ATOM 118 CA PRO A 20 10.775 -17.915 -2.359 1.00 90.95 C

ATOM 119 C PRO A 20 12.291 -17.922 -2.432 1.00 91.13 C

ATOM 120 O PRO A 20 12.883 -17.154 -3.181 1.00 89.87 O

ATOM 121 CB PRO A 20 10.145 -18.929 -3.311 1.00 88.10 C

ATOM 122 CG PRO A 20 9.967 -18.148 -4.568 1.00 85.30 C

ATOM 123 CD PRO A 20 9.544 -16.774 -4.103 1.00 87.83 C

HETATM 124 N HYP A 21 12.962 -18.803 -1.660 1.00 94.79 N

HETATM 125 CA HYP A 21 14.384 -18.934 -1.730 1.00 93.17 C

HETATM 126 C HYP A 21 14.885 -19.339 -3.107 1.00 95.18 C

HETATM 127 O HYP A 21 14.153 -20.035 -3.835 1.00 92.78 O

HETATM 128 CB HYP A 21 14.670 -20.120 -0.745 1.00 92.35 C

HETATM 129 CG HYP A 21 13.526 -20.085 0.243 1.00 89.82 C

HETATM 130 CD HYP A 21 12.367 -19.635 -0.614 1.00 91.35 C

HETATM 131 OD1 HYP A 21 13.747 -19.108 1.260 1.00 89.87 O

ATOM 132 N GLY A 22 16.048 -18.888 -3.537 1.00 89.84 N

ATOM 133 CA GLY A 22 16.598 -19.232 -4.814 1.00 89.27 C

ATOM 134 C GLY A 22 16.889 -20.725 -4.901 1.00 90.04 C

ATOM 135 O GLY A 22 16.859 -21.428 -3.887 1.00 88.74 O

ATOM 136 N PRO A 23 17.215 -21.238 -6.097 1.00 90.84 N

ATOM 137 CA PRO A 23 17.494 -22.658 -6.259 1.00 91.17 C

ATOM 138 C PRO A 23 18.791 -23.044 -5.576 1.00 90.74 C

ATOM 139 O PRO A 23 19.701 -22.218 -5.447 1.00 87.03 O

ATOM 140 CB PRO A 23 17.551 -22.847 -7.767 1.00 86.78 C

ATOM 141 CG PRO A 23 17.993 -21.517 -8.264 1.00 82.39 C

ATOM 142 CD PRO A 23 17.292 -20.530 -7.366 1.00 85.22 C

HETATM 143 N HYP A 24 18.974 -24.297 -5.172 1.00 92.89 N

HETATM 144 CA HYP A 24 20.237 -24.683 -4.521 1.00 87.93 C

HETATM 145 C HYP A 24 21.385 -24.547 -5.490 1.00 90.25 C

HETATM 146 O HYP A 24 22.468 -24.351 -5.066 1.00 88.84 O

HETATM 147 CB HYP A 24 20.011 -26.233 -4.267 1.00 90.84 C

HETATM 148 CG HYP A 24 18.541 -26.471 -4.287 1.00 88.92 C

HETATM 149 CD HYP A 24 18.009 -25.393 -5.236 1.00 90.81 C

HETATM 150 OD1 HYP A 24 18.002 -26.228 -2.989 1.00 85.00 O

HETATM 151 OXT HYP A 24 21.141 -24.651 -6.715 1.00 85.25 O

TER 152 HYP A 24

END

ATOM 1 N GLY A 1 56.389 -14.179-109.446 1.00 58.57 N

ATOM 2 CA GLY A 1 54.967 -14.255-109.082 1.00 63.84 C

ATOM 3 C GLY A 1 54.665 -13.192-108.053 1.00 60.52 C

ATOM 4 O GLY A 1 55.528 -12.943-107.213 1.00 57.55 O

ATOM 5 N LEU A 2 53.507 -12.530-108.147 1.00 62.63 N

ATOM 6 CA LEU A 2 53.067 -11.559-107.149 1.00 69.46 C

ATOM 7 C LEU A 2 52.725 -12.281-105.835 1.00 64.93 C

ATOM 8 O LEU A 2 52.203 -13.396-105.884 1.00 64.10 O

ATOM 9 CB LEU A 2 51.851 -10.777-107.691 1.00 68.81 C

ATOM 10 CG LEU A 2 52.179 -9.833-108.864 1.00 60.91 C

ATOM 11 CD1 LEU A 2 50.900 -9.375-109.563 1.00 56.82 C

ATOM 12 CD2 LEU A 2 52.942 -8.592-108.384 1.00 55.70 C

ATOM 13 N PRO A 3 52.966 -11.677-104.634 1.00 64.91 N

ATOM 14 CA PRO A 3 52.537 -12.238-103.354 1.00 69.84 C

ATOM 15 C PRO A 3 51.010 -12.382-103.321 1.00 66.87 C

ATOM 16 O PRO A 3 50.292 -11.479-103.745 1.00 64.68 O

ATOM 17 CB PRO A 3 53.027 -11.259-102.274 1.00 70.23 C

ATOM 18 CG PRO A 3 54.082 -10.417-102.968 1.00 65.90 C

ATOM 19 CD PRO A 3 53.665 -10.404-104.428 1.00 67.60 C

ATOM 20 N GLY A 4 50.539 -13.497-102.817 1.00 68.68 N

ATOM 21 CA GLY A 4 49.107 -13.736-102.641 1.00 69.47 C

ATOM 22 C GLY A 4 48.452 -12.712-101.706 1.00 67.66 C

ATOM 23 O GLY A 4 49.134 -12.146-100.849 1.00 67.22 O

ATOM 24 N PRO A 5 47.134 -12.459-101.842 1.00 58.68 N

ATOM 25 CA PRO A 5 46.411 -11.526-100.985 1.00 64.49 C

ATOM 26 C PRO A 5 46.484 -11.975 -99.520 1.00 61.48 C

ATOM 27 O PRO A 5 46.456 -13.169 -99.206 1.00 61.25 O

ATOM 28 CB PRO A 5 44.976 -11.476-101.528 1.00 65.49 C

ATOM 29 CG PRO A 5 44.809 -12.832-102.210 1.00 63.12 C

ATOM 30 CD PRO A 5 46.208 -13.131-102.748 1.00 64.52 C

ATOM 31 N ARG A 6 46.599 -10.994 -98.605 1.00 67.76 N

ATOM 32 CA ARG A 6 46.575 -11.231 -97.161 1.00 72.89 C

ATOM 33 C ARG A 6 45.221 -11.815 -96.778 1.00 67.47 C

ATOM 34 O ARG A 6 44.198 -11.261 -97.160 1.00 63.27 O

ATOM 35 CB ARG A 6 46.869 -9.910 -96.431 1.00 70.90 C

ATOM 36 CG ARG A 6 47.063 -10.084 -94.917 1.00 67.50 C

ATOM 37 CD ARG A 6 47.465 -8.738 -94.293 1.00 64.04 C

ATOM 38 NE ARG A 6 47.804 -8.852 -92.869 1.00 59.72 N

ATOM 39 CZ ARG A 6 48.350 -7.915 -92.122 1.00 54.63 C

ATOM 40 NH1 ARG A 6 48.634 -6.725 -92.595 1.00 54.19 N

ATOM 41 NH2 ARG A 6 48.633 -8.147 -90.871 1.00 53.30 N

ATOM 42 N GLY A 7 45.206 -12.921 -96.056 1.00 68.49 N

ATOM 43 CA GLY A 7 43.978 -13.569 -95.607 1.00 68.67 C

ATOM 44 C GLY A 7 43.078 -12.612 -94.823 1.00 67.80 C

ATOM 45 O GLY A 7 43.575 -11.761 -94.074 1.00 66.16 O

ATOM 46 N GLU A 8 41.772 -12.748 -95.020 1.00 56.56 N

ATOM 47 CA GLU A 8 40.762 -11.962 -94.305 1.00 63.48 C

ATOM 48 C GLU A 8 40.858 -12.195 -92.794 1.00 59.14 C

ATOM 49 O GLU A 8 41.146 -13.294 -92.312 1.00 58.50 O

ATOM 50 CB GLU A 8 39.345 -12.269 -94.822 1.00 63.28 C

ATOM 51 CG GLU A 8 39.158 -11.807 -96.283 1.00 57.86 C

ATOM 52 CD GLU A 8 37.709 -12.004 -96.801 1.00 55.13 C

ATOM 53 OE1 GLU A 8 37.380 -11.344 -97.820 1.00 51.75 O

ATOM 54 OE2 GLU A 8 36.971 -12.801 -96.197 1.00 52.55 O

ATOM 55 N GLN A 9 40.649 -11.126 -92.028 1.00 65.67 N

ATOM 56 CA GLN A 9 40.629 -11.201 -90.572 1.00 70.05 C

ATOM 57 C GLN A 9 39.440 -12.051 -90.125 1.00 66.19 C