MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 82 C PRO A 14 -0.908 0.131 -7.129 1.00 77.71 C
ATOM 83 O PRO A 14 0.006 0.781 -6.634 1.00 74.59 O
ATOM 84 CB PRO A 14 -0.388 -1.869 -8.552 1.00 73.84 C
ATOM 85 CG PRO A 14 1.101 -1.788 -8.541 1.00 73.35 C
ATOM 86 CD PRO A 14 1.438 -0.601 -9.398 1.00 72.50 C
HETATM 87 N HYP A 15 -1.992 -0.151 -6.475 1.00 77.36 N
HETATM 88 CA HYP A 15 -2.090 0.152 -5.096 1.00 79.48 C
HETATM 89 C HYP A 15 -0.991 -0.534 -4.341 1.00 82.58 C
HETATM 90 O HYP A 15 -0.545 -1.608 -4.746 1.00 78.01 O
HETATM 91 CB HYP A 15 -3.490 -0.351 -4.764 1.00 76.97 C
HETATM 92 CG HYP A 15 -4.224 -0.165 -6.066 1.00 74.71 C
HETATM 93 CD HYP A 15 -3.200 -0.622 -7.072 1.00 76.96 C
HETATM 94 OD1 HYP A 15 -4.550 1.183 -6.285 1.00 73.33 O
ATOM 95 N GLY A 16 -0.557 0.113 -3.311 1.00 75.81 N
ATOM 96 CA GLY A 16 0.449 -0.483 -2.482 1.00 74.95 C
ATOM 97 C GLY A 16 -0.062 -1.732 -1.791 1.00 76.33 C
ATOM 98 O GLY A 16 -1.255 -2.053 -1.837 1.00 75.18 O
ATOM 99 N PRO A 17 0.832 -2.443 -1.141 1.00 73.60 N
ATOM 100 CA PRO A 17 0.432 -3.643 -0.433 1.00 75.38 C
ATOM 101 C PRO A 17 -0.379 -3.302 0.802 1.00 75.32 C
ATOM 102 O PRO A 17 -0.338 -2.187 1.299 1.00 72.19 O
ATOM 103 CB PRO A 17 1.768 -4.293 -0.062 1.00 72.93 C
ATOM 104 CG PRO A 17 2.696 -3.144 0.049 1.00 72.13 C
ATOM 105 CD PRO A 17 2.258 -2.166 -1.006 1.00 71.80 C
HETATM 106 N HYP A 18 -1.095 -4.240 1.294 1.00 78.69 N
HETATM 107 CA HYP A 18 -1.798 -4.068 2.510 1.00 79.18 C
HETATM 108 C HYP A 18 -0.893 -3.645 3.615 1.00 78.45 C
HETATM 109 O HYP A 18 0.288 -4.033 3.639 1.00 79.50 O
HETATM 110 CB HYP A 18 -2.445 -5.433 2.720 1.00 75.14 C
HETATM 111 CG HYP A 18 -2.650 -5.948 1.319 1.00 76.20 C
HETATM 112 CD HYP A 18 -1.394 -5.497 0.641 1.00 80.20 C
HETATM 113 OD1 HYP A 18 -3.749 -5.336 0.682 1.00 76.57 O
ATOM 114 N GLY A 19 -1.397 -2.803 4.484 1.00 73.50 N
ATOM 115 CA GLY A 19 -0.652 -2.400 5.642 1.00 71.29 C
ATOM 116 C GLY A 19 -0.413 -3.572 6.572 1.00 70.91 C
ATOM 117 O GLY A 19 -0.912 -4.679 6.353 1.00 69.30 O
ATOM 118 N PRO A 20 0.348 -3.332 7.622 1.00 72.21 N
ATOM 119 CA PRO A 20 0.652 -4.399 8.557 1.00 73.25 C
ATOM 120 C PRO A 20 -0.574 -4.808 9.349 1.00 72.51 C
ATOM 121 O PRO A 20 -1.532 -4.054 9.471 1.00 70.82 O
ATOM 122 CB PRO A 20 1.715 -3.786 9.460 1.00 71.56 C
ATOM 123 CG PRO A 20 1.432 -2.333 9.403 1.00 69.71 C
ATOM 124 CD PRO A 20 0.957 -2.065 8.005 1.00 69.06 C
HETATM 125 N HYP A 21 -0.551 -5.995 9.901 1.00 80.26 N
HETATM 126 CA HYP A 21 -1.595 -6.446 10.727 1.00 79.28 C
HETATM 127 C HYP A 21 -1.799 -5.539 11.941 1.00 74.76 C
HETATM 128 O HYP A 21 -0.833 -4.918 12.393 1.00 77.28 O
HETATM 129 CB HYP A 21 -1.097 -7.817 11.183 1.00 74.03 C
HETATM 130 CG HYP A 21 -0.223 -8.274 10.065 1.00 72.43 C
HETATM 131 CD HYP A 21 0.445 -7.000 9.636 1.00 79.06 C
HETATM 132 OD1 HYP A 21 -0.986 -8.778 8.981 1.00 75.74 O
ATOM 133 N GLY A 22 -3.021 -5.369 12.345 1.00 69.71 N
ATOM 134 CA GLY A 22 -3.318 -4.616 13.531 1.00 66.76 C
ATOM 135 C GLY A 22 -2.828 -5.331 14.780 1.00 65.64 C
ATOM 136 O GLY A 22 -2.271 -6.429 14.710 1.00 65.34 O
ATOM 137 N PRO A 23 -3.049 -4.716 15.923 1.00 66.91 N
ATOM 138 CA PRO A 23 -2.631 -5.333 17.173 1.00 72.46 C
ATOM 139 C PRO A 23 -3.361 -6.633 17.427 1.00 71.53 C
ATOM 140 O PRO A 23 -4.485 -6.818 16.965 1.00 70.14 O
ATOM 141 CB PRO A 23 -3.015 -4.294 18.231 1.00 68.48 C
ATOM 142 CG PRO A 23 -3.178 -3.033 17.478 1.00 63.32 C
ATOM 143 CD PRO A 23 -3.672 -3.422 16.126 1.00 64.42 C
HETATM 144 N HYP A 24 -2.820 -7.502 18.190 1.00 74.27 N
HETATM 145 CA HYP A 24 -3.512 -8.708 18.523 1.00 67.22 C
HETATM 146 C HYP A 24 -4.820 -8.427 19.217 1.00 64.49 C
HETATM 147 O HYP A 24 -4.989 -7.271 19.624 1.00 69.57 O
HETATM 148 CB HYP A 24 -2.537 -9.396 19.485 1.00 68.81 C
HETATM 149 CG HYP A 24 -1.199 -8.808 19.179 1.00 71.28 C
HETATM 150 CD HYP A 24 -1.525 -7.390 18.760 1.00 71.00 C
HETATM 151 OD1 HYP A 24 -0.624 -9.484 18.075 1.00 71.31 O
HETATM 152 OXT HYP A 24 -5.630 -9.359 19.395 1.00 67.50 O
TER 153 HYP A 24
END
ATOM 1 N GLY A 1 12.007 5.085 -9.501 1.00 82.20 N
ATOM 2 CA GLY A 1 10.722 5.736 -9.643 1.00 82.72 C
ATOM 3 C GLY A 1 10.094 5.991 -8.299 1.00 82.40 C
ATOM 4 O GLY A 1 10.659 5.631 -7.265 1.00 79.49 O
ATOM 5 N PRO A 2 8.930 6.590 -8.295 1.00 86.61 N
ATOM 6 CA PRO A 2 8.264 6.900 -7.034 1.00 86.98 C
ATOM 7 C PRO A 2 7.737 5.651 -6.355 1.00 87.04 C
ATOM 8 O PRO A 2 7.571 4.611 -6.976 1.00 84.70 O
ATOM 9 CB PRO A 2 7.117 7.818 -7.460 1.00 83.87 C
ATOM 10 CG PRO A 2 6.818 7.402 -8.852 1.00 80.32 C
ATOM 11 CD PRO A 2 8.138 7.027 -9.451 1.00 80.69 C
HETATM 12 N HYP A 3 7.513 5.785 -5.126 1.00 86.15 N
HETATM 13 CA HYP A 3 6.868 4.699 -4.360 1.00 87.17 C
HETATM 14 C HYP A 3 5.558 4.321 -4.963 1.00 85.87 C
HETATM 15 O HYP A 3 4.878 5.180 -5.572 1.00 88.77 O
HETATM 16 CB HYP A 3 6.747 5.355 -2.957 1.00 86.02 C
HETATM 17 CG HYP A 3 7.898 6.332 -2.914 1.00 84.27 C
HETATM 18 CD HYP A 3 7.877 6.923 -4.323 1.00 85.34 C
HETATM 19 OD1 HYP A 3 9.092 5.650 -2.714 1.00 85.79 O
ATOM 20 N GLY A 4 5.252 3.059 -4.861 1.00 90.51 N
ATOM 21 CA GLY A 4 3.981 2.595 -5.332 1.00 89.46 C
ATOM 22 C GLY A 4 2.850 3.142 -4.486 1.00 89.32 C
ATOM 23 O GLY A 4 3.070 3.760 -3.445 1.00 88.83 O
ATOM 24 N PRO A 5 1.626 2.916 -4.931 1.00 92.01 N
ATOM 25 CA PRO A 5 0.476 3.400 -4.179 1.00 91.36 C
ATOM 26 C PRO A 5 0.282 2.615 -2.896 1.00 91.23 C
ATOM 27 O PRO A 5 0.798 1.519 -2.739 1.00 90.05 O

ATOM 82 C PRO A 14 -0.908 0.131 -7.129 1.00 77.71 C

ATOM 83 O PRO A 14 0.006 0.781 -6.634 1.00 74.59 O

ATOM 84 CB PRO A 14 -0.388 -1.869 -8.552 1.00 73.84 C

ATOM 85 CG PRO A 14 1.101 -1.788 -8.541 1.00 73.35 C

ATOM 86 CD PRO A 14 1.438 -0.601 -9.398 1.00 72.50 C

HETATM 87 N HYP A 15 -1.992 -0.151 -6.475 1.00 77.36 N

HETATM 88 CA HYP A 15 -2.090 0.152 -5.096 1.00 79.48 C

HETATM 89 C HYP A 15 -0.991 -0.534 -4.341 1.00 82.58 C

HETATM 90 O HYP A 15 -0.545 -1.608 -4.746 1.00 78.01 O

HETATM 91 CB HYP A 15 -3.490 -0.351 -4.764 1.00 76.97 C

HETATM 92 CG HYP A 15 -4.224 -0.165 -6.066 1.00 74.71 C

HETATM 93 CD HYP A 15 -3.200 -0.622 -7.072 1.00 76.96 C

HETATM 94 OD1 HYP A 15 -4.550 1.183 -6.285 1.00 73.33 O

ATOM 95 N GLY A 16 -0.557 0.113 -3.311 1.00 75.81 N

ATOM 96 CA GLY A 16 0.449 -0.483 -2.482 1.00 74.95 C

ATOM 97 C GLY A 16 -0.062 -1.732 -1.791 1.00 76.33 C

ATOM 98 O GLY A 16 -1.255 -2.053 -1.837 1.00 75.18 O

ATOM 99 N PRO A 17 0.832 -2.443 -1.141 1.00 73.60 N

ATOM 100 CA PRO A 17 0.432 -3.643 -0.433 1.00 75.38 C

ATOM 101 C PRO A 17 -0.379 -3.302 0.802 1.00 75.32 C

ATOM 102 O PRO A 17 -0.338 -2.187 1.299 1.00 72.19 O

ATOM 103 CB PRO A 17 1.768 -4.293 -0.062 1.00 72.93 C

ATOM 104 CG PRO A 17 2.696 -3.144 0.049 1.00 72.13 C

ATOM 105 CD PRO A 17 2.258 -2.166 -1.006 1.00 71.80 C

HETATM 106 N HYP A 18 -1.095 -4.240 1.294 1.00 78.69 N

HETATM 107 CA HYP A 18 -1.798 -4.068 2.510 1.00 79.18 C

HETATM 108 C HYP A 18 -0.893 -3.645 3.615 1.00 78.45 C

HETATM 109 O HYP A 18 0.288 -4.033 3.639 1.00 79.50 O

HETATM 110 CB HYP A 18 -2.445 -5.433 2.720 1.00 75.14 C

HETATM 111 CG HYP A 18 -2.650 -5.948 1.319 1.00 76.20 C

HETATM 112 CD HYP A 18 -1.394 -5.497 0.641 1.00 80.20 C

HETATM 113 OD1 HYP A 18 -3.749 -5.336 0.682 1.00 76.57 O

ATOM 114 N GLY A 19 -1.397 -2.803 4.484 1.00 73.50 N

ATOM 115 CA GLY A 19 -0.652 -2.400 5.642 1.00 71.29 C

ATOM 116 C GLY A 19 -0.413 -3.572 6.572 1.00 70.91 C

ATOM 117 O GLY A 19 -0.912 -4.679 6.353 1.00 69.30 O

ATOM 118 N PRO A 20 0.348 -3.332 7.622 1.00 72.21 N

ATOM 119 CA PRO A 20 0.652 -4.399 8.557 1.00 73.25 C

ATOM 120 C PRO A 20 -0.574 -4.808 9.349 1.00 72.51 C

ATOM 121 O PRO A 20 -1.532 -4.054 9.471 1.00 70.82 O

ATOM 122 CB PRO A 20 1.715 -3.786 9.460 1.00 71.56 C

ATOM 123 CG PRO A 20 1.432 -2.333 9.403 1.00 69.71 C

ATOM 124 CD PRO A 20 0.957 -2.065 8.005 1.00 69.06 C

HETATM 125 N HYP A 21 -0.551 -5.995 9.901 1.00 80.26 N

HETATM 126 CA HYP A 21 -1.595 -6.446 10.727 1.00 79.28 C

HETATM 127 C HYP A 21 -1.799 -5.539 11.941 1.00 74.76 C

HETATM 128 O HYP A 21 -0.833 -4.918 12.393 1.00 77.28 O

HETATM 129 CB HYP A 21 -1.097 -7.817 11.183 1.00 74.03 C

HETATM 130 CG HYP A 21 -0.223 -8.274 10.065 1.00 72.43 C

HETATM 131 CD HYP A 21 0.445 -7.000 9.636 1.00 79.06 C

HETATM 132 OD1 HYP A 21 -0.986 -8.778 8.981 1.00 75.74 O

ATOM 133 N GLY A 22 -3.021 -5.369 12.345 1.00 69.71 N

ATOM 134 CA GLY A 22 -3.318 -4.616 13.531 1.00 66.76 C

ATOM 135 C GLY A 22 -2.828 -5.331 14.780 1.00 65.64 C

ATOM 136 O GLY A 22 -2.271 -6.429 14.710 1.00 65.34 O

ATOM 137 N PRO A 23 -3.049 -4.716 15.923 1.00 66.91 N

ATOM 138 CA PRO A 23 -2.631 -5.333 17.173 1.00 72.46 C

ATOM 139 C PRO A 23 -3.361 -6.633 17.427 1.00 71.53 C

ATOM 140 O PRO A 23 -4.485 -6.818 16.965 1.00 70.14 O

ATOM 141 CB PRO A 23 -3.015 -4.294 18.231 1.00 68.48 C

ATOM 142 CG PRO A 23 -3.178 -3.033 17.478 1.00 63.32 C

ATOM 143 CD PRO A 23 -3.672 -3.422 16.126 1.00 64.42 C

HETATM 144 N HYP A 24 -2.820 -7.502 18.190 1.00 74.27 N

HETATM 145 CA HYP A 24 -3.512 -8.708 18.523 1.00 67.22 C

HETATM 146 C HYP A 24 -4.820 -8.427 19.217 1.00 64.49 C

HETATM 147 O HYP A 24 -4.989 -7.271 19.624 1.00 69.57 O

HETATM 148 CB HYP A 24 -2.537 -9.396 19.485 1.00 68.81 C

HETATM 149 CG HYP A 24 -1.199 -8.808 19.179 1.00 71.28 C

HETATM 150 CD HYP A 24 -1.525 -7.390 18.760 1.00 71.00 C

HETATM 151 OD1 HYP A 24 -0.624 -9.484 18.075 1.00 71.31 O

HETATM 152 OXT HYP A 24 -5.630 -9.359 19.395 1.00 67.50 O

TER 153 HYP A 24

END

ATOM 1 N GLY A 1 12.007 5.085 -9.501 1.00 82.20 N

ATOM 2 CA GLY A 1 10.722 5.736 -9.643 1.00 82.72 C

ATOM 3 C GLY A 1 10.094 5.991 -8.299 1.00 82.40 C

ATOM 4 O GLY A 1 10.659 5.631 -7.265 1.00 79.49 O

ATOM 5 N PRO A 2 8.930 6.590 -8.295 1.00 86.61 N

ATOM 6 CA PRO A 2 8.264 6.900 -7.034 1.00 86.98 C

ATOM 7 C PRO A 2 7.737 5.651 -6.355 1.00 87.04 C

ATOM 8 O PRO A 2 7.571 4.611 -6.976 1.00 84.70 O

ATOM 9 CB PRO A 2 7.117 7.818 -7.460 1.00 83.87 C

ATOM 10 CG PRO A 2 6.818 7.402 -8.852 1.00 80.32 C

ATOM 11 CD PRO A 2 8.138 7.027 -9.451 1.00 80.69 C

HETATM 12 N HYP A 3 7.513 5.785 -5.126 1.00 86.15 N

HETATM 13 CA HYP A 3 6.868 4.699 -4.360 1.00 87.17 C

HETATM 14 C HYP A 3 5.558 4.321 -4.963 1.00 85.87 C

HETATM 15 O HYP A 3 4.878 5.180 -5.572 1.00 88.77 O

HETATM 16 CB HYP A 3 6.747 5.355 -2.957 1.00 86.02 C

HETATM 17 CG HYP A 3 7.898 6.332 -2.914 1.00 84.27 C

HETATM 18 CD HYP A 3 7.877 6.923 -4.323 1.00 85.34 C

HETATM 19 OD1 HYP A 3 9.092 5.650 -2.714 1.00 85.79 O

ATOM 20 N GLY A 4 5.252 3.059 -4.861 1.00 90.51 N

ATOM 21 CA GLY A 4 3.981 2.595 -5.332 1.00 89.46 C

ATOM 22 C GLY A 4 2.850 3.142 -4.486 1.00 89.32 C

ATOM 23 O GLY A 4 3.070 3.760 -3.445 1.00 88.83 O

ATOM 24 N PRO A 5 1.626 2.916 -4.931 1.00 92.01 N

ATOM 25 CA PRO A 5 0.476 3.400 -4.179 1.00 91.36 C

ATOM 26 C PRO A 5 0.282 2.615 -2.896 1.00 91.23 C

ATOM 27 O PRO A 5 0.798 1.519 -2.739 1.00 90.05 O