MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 66 CB PRO A 11 1.550 -5.265 -4.347 1.00 80.51 C
ATOM 67 CG PRO A 11 0.585 -6.385 -4.170 1.00 80.92 C
ATOM 68 CD PRO A 11 1.299 -7.351 -3.247 1.00 81.05 C
ATOM 69 N CYS A 12 1.799 -2.853 -2.207 1.00 81.04 N
ATOM 70 CA CYS A 12 1.133 -1.775 -1.494 1.00 82.05 C
ATOM 71 C CYS A 12 -0.278 -1.608 -2.038 1.00 82.74 C
ATOM 72 O CYS A 12 -0.524 -1.858 -3.221 1.00 79.02 O
ATOM 73 CB CYS A 12 1.920 -0.472 -1.658 1.00 76.95 C
ATOM 74 SG CYS A 12 1.317 0.883 -0.651 1.00 68.75 S
ATOM 75 N GLY A 13 -1.197 -1.208 -1.168 1.00 81.49 N
ATOM 76 CA GLY A 13 -2.566 -0.997 -1.590 1.00 80.61 C
ATOM 77 C GLY A 13 -2.711 0.194 -2.517 1.00 81.13 C
ATOM 78 O GLY A 13 -1.753 0.936 -2.746 1.00 81.32 O
ATOM 79 N PRO A 14 -3.918 0.412 -3.067 1.00 81.62 N
ATOM 80 CA PRO A 14 -4.150 1.529 -3.979 1.00 83.95 C
ATOM 81 C PRO A 14 -4.131 2.861 -3.254 1.00 83.64 C
ATOM 82 O PRO A 14 -4.265 2.923 -2.037 1.00 83.87 O
ATOM 83 CB PRO A 14 -5.530 1.226 -4.561 1.00 82.89 C
ATOM 84 CG PRO A 14 -6.208 0.476 -3.470 1.00 80.06 C
ATOM 85 CD PRO A 14 -5.117 -0.404 -2.896 1.00 79.31 C
HETATM 86 N HYP A 15 -3.977 3.972 -4.009 1.00 81.97 N
HETATM 87 CA HYP A 15 -4.014 5.285 -3.467 1.00 77.48 C
HETATM 88 C HYP A 15 -5.346 5.638 -2.774 1.00 83.27 C
HETATM 89 O HYP A 15 -6.384 5.056 -3.135 1.00 76.75 O
HETATM 90 CB HYP A 15 -3.843 6.150 -4.720 1.00 80.67 C
HETATM 91 CG HYP A 15 -3.074 5.268 -5.645 1.00 78.23 C
HETATM 92 CD HYP A 15 -3.683 3.936 -5.370 1.00 81.37 C
HETATM 93 OD1 HYP A 15 -1.719 5.260 -5.346 1.00 80.79 O
ATOM 94 N GLY A 16 -5.294 6.437 -1.775 1.00 84.21 N
ATOM 95 CA GLY A 16 -6.484 6.836 -1.075 1.00 82.76 C
ATOM 96 C GLY A 16 -7.373 7.695 -1.955 1.00 83.82 C
ATOM 97 O GLY A 16 -6.974 8.104 -3.049 1.00 84.26 O
ATOM 98 N PRO A 17 -8.600 7.975 -1.498 1.00 81.40 N
ATOM 99 CA PRO A 17 -9.525 8.781 -2.286 1.00 84.18 C
ATOM 100 C PRO A 17 -9.106 10.238 -2.343 1.00 84.03 C
ATOM 101 O PRO A 17 -8.396 10.730 -1.472 1.00 84.00 O
ATOM 102 CB PRO A 17 -10.860 8.599 -1.553 1.00 83.41 C
ATOM 103 CG PRO A 17 -10.436 8.392 -0.138 1.00 80.45 C
ATOM 104 CD PRO A 17 -9.197 7.533 -0.243 1.00 80.12 C
HETATM 105 N HYP A 18 -9.542 10.971 -3.346 1.00 82.26 N
HETATM 106 CA HYP A 18 -9.322 12.389 -3.460 1.00 84.89 C
HETATM 107 C HYP A 18 -10.008 13.179 -2.336 1.00 81.46 C
HETATM 108 O HYP A 18 -11.001 12.735 -1.753 1.00 84.27 O
HETATM 109 CB HYP A 18 -10.001 12.708 -4.789 1.00 82.17 C
HETATM 110 CG HYP A 18 -9.910 11.450 -5.584 1.00 80.91 C
HETATM 111 CD HYP A 18 -10.126 10.416 -4.538 1.00 83.08 C
HETATM 112 OD1 HYP A 18 -8.647 11.289 -6.161 1.00 84.19 O
ATOM 113 N GLY A 19 -9.452 14.315 -2.004 1.00 87.21 N
ATOM 114 CA GLY A 19 -10.015 15.169 -0.993 1.00 86.47 C
ATOM 115 C GLY A 19 -11.341 15.746 -1.453 1.00 86.83 C
ATOM 116 O GLY A 19 -11.747 15.562 -2.603 1.00 86.08 O
ATOM 117 N PRO A 20 -12.036 16.472 -0.565 1.00 81.21 N
ATOM 118 CA PRO A 20 -13.329 17.043 -0.908 1.00 81.88 C
ATOM 119 C PRO A 20 -13.204 18.168 -1.924 1.00 81.03 C
ATOM 120 O PRO A 20 -12.152 18.794 -2.054 1.00 79.64 O
ATOM 121 CB PRO A 20 -13.863 17.536 0.438 1.00 78.92 C
ATOM 122 CG PRO A 20 -12.625 17.843 1.206 1.00 76.48 C
ATOM 123 CD PRO A 20 -11.657 16.746 0.817 1.00 76.65 C
HETATM 124 N HYP A 21 -14.246 18.464 -2.636 1.00 88.08 N
HETATM 125 CA HYP A 21 -14.310 19.550 -3.618 1.00 86.45 C
HETATM 126 C HYP A 21 -14.187 20.940 -2.998 1.00 87.49 C
HETATM 127 O HYP A 21 -14.575 21.136 -1.845 1.00 85.56 O
HETATM 128 CB HYP A 21 -15.764 19.415 -4.166 1.00 85.18 C
HETATM 129 CG HYP A 21 -16.159 17.989 -3.933 1.00 83.54 C
HETATM 130 CD HYP A 21 -15.461 17.662 -2.640 1.00 86.18 C
HETATM 131 OD1 HYP A 21 -15.634 17.162 -4.953 1.00 84.04 O
ATOM 132 N GLY A 22 -13.595 21.862 -3.690 1.00 84.84 N
ATOM 133 CA GLY A 22 -13.480 23.221 -3.239 1.00 84.06 C
ATOM 134 C GLY A 22 -14.840 23.908 -3.297 1.00 83.84 C
ATOM 135 O GLY A 22 -15.818 23.322 -3.761 1.00 82.75 O
ATOM 136 N PRO A 23 -14.914 25.178 -2.897 1.00 82.54 N
ATOM 137 CA PRO A 23 -16.188 25.893 -2.922 1.00 83.86 C
ATOM 138 C PRO A 23 -16.611 26.214 -4.337 1.00 83.04 C
ATOM 139 O PRO A 23 -15.786 26.271 -5.252 1.00 79.82 O
ATOM 140 CB PRO A 23 -15.890 27.152 -2.102 1.00 79.89 C
ATOM 141 CG PRO A 23 -14.440 27.377 -2.339 1.00 77.15 C
ATOM 142 CD PRO A 23 -13.837 25.983 -2.341 1.00 77.87 C
HETATM 143 N HYP A 24 -17.899 26.506 -4.577 1.00 84.36 N
HETATM 144 CA HYP A 24 -18.317 26.820 -5.926 1.00 83.93 C
HETATM 145 C HYP A 24 -17.619 27.952 -6.519 1.00 80.96 C
HETATM 146 O HYP A 24 -17.676 29.051 -5.959 1.00 80.25 O
HETATM 147 CB HYP A 24 -19.851 27.103 -5.821 1.00 84.32 C
HETATM 148 CG HYP A 24 -20.267 26.450 -4.555 1.00 82.69 C
HETATM 149 CD HYP A 24 -19.003 26.524 -3.654 1.00 83.67 C
HETATM 150 OD1 HYP A 24 -20.541 25.092 -4.798 1.00 81.34 O
HETATM 151 OXT HYP A 24 -16.978 27.694 -7.554 1.00 77.87 O
TER 152 HYP A 24
END
ATOM 1 N GLY A 1 24.962 -23.594 10.166 1.00 92.34 N
ATOM 2 CA GLY A 1 23.953 -23.831 9.130 1.00 93.12 C
ATOM 3 C GLY A 1 23.874 -22.668 8.168 1.00 93.83 C
ATOM 4 O GLY A 1 24.494 -21.624 8.391 1.00 91.79 O
ATOM 5 N PRO A 2 23.120 -22.796 7.093 1.00 95.01 N
ATOM 6 CA PRO A 2 22.982 -21.712 6.119 1.00 95.46 C
ATOM 7 C PRO A 2 22.163 -20.564 6.684 1.00 95.82 C
ATOM 8 O PRO A 2 21.396 -20.734 7.631 1.00 94.23 O
ATOM 9 CB PRO A 2 22.279 -22.382 4.939 1.00 93.58 C
ATOM 10 CG PRO A 2 21.477 -23.466 5.582 1.00 91.30 C
ATOM 11 CD PRO A 2 22.349 -23.973 6.703 1.00 93.02 C
HETATM 12 N HYP A 3 22.345 -19.394 6.127 1.00 96.35 N

ATOM 66 CB PRO A 11 1.550 -5.265 -4.347 1.00 80.51 C

ATOM 67 CG PRO A 11 0.585 -6.385 -4.170 1.00 80.92 C

ATOM 68 CD PRO A 11 1.299 -7.351 -3.247 1.00 81.05 C

ATOM 69 N CYS A 12 1.799 -2.853 -2.207 1.00 81.04 N

ATOM 70 CA CYS A 12 1.133 -1.775 -1.494 1.00 82.05 C

ATOM 71 C CYS A 12 -0.278 -1.608 -2.038 1.00 82.74 C

ATOM 72 O CYS A 12 -0.524 -1.858 -3.221 1.00 79.02 O

ATOM 73 CB CYS A 12 1.920 -0.472 -1.658 1.00 76.95 C

ATOM 74 SG CYS A 12 1.317 0.883 -0.651 1.00 68.75 S

ATOM 75 N GLY A 13 -1.197 -1.208 -1.168 1.00 81.49 N

ATOM 76 CA GLY A 13 -2.566 -0.997 -1.590 1.00 80.61 C

ATOM 77 C GLY A 13 -2.711 0.194 -2.517 1.00 81.13 C

ATOM 78 O GLY A 13 -1.753 0.936 -2.746 1.00 81.32 O

ATOM 79 N PRO A 14 -3.918 0.412 -3.067 1.00 81.62 N

ATOM 80 CA PRO A 14 -4.150 1.529 -3.979 1.00 83.95 C

ATOM 81 C PRO A 14 -4.131 2.861 -3.254 1.00 83.64 C

ATOM 82 O PRO A 14 -4.265 2.923 -2.037 1.00 83.87 O

ATOM 83 CB PRO A 14 -5.530 1.226 -4.561 1.00 82.89 C

ATOM 84 CG PRO A 14 -6.208 0.476 -3.470 1.00 80.06 C

ATOM 85 CD PRO A 14 -5.117 -0.404 -2.896 1.00 79.31 C

HETATM 86 N HYP A 15 -3.977 3.972 -4.009 1.00 81.97 N

HETATM 87 CA HYP A 15 -4.014 5.285 -3.467 1.00 77.48 C

HETATM 88 C HYP A 15 -5.346 5.638 -2.774 1.00 83.27 C

HETATM 89 O HYP A 15 -6.384 5.056 -3.135 1.00 76.75 O

HETATM 90 CB HYP A 15 -3.843 6.150 -4.720 1.00 80.67 C

HETATM 91 CG HYP A 15 -3.074 5.268 -5.645 1.00 78.23 C

HETATM 92 CD HYP A 15 -3.683 3.936 -5.370 1.00 81.37 C

HETATM 93 OD1 HYP A 15 -1.719 5.260 -5.346 1.00 80.79 O

ATOM 94 N GLY A 16 -5.294 6.437 -1.775 1.00 84.21 N

ATOM 95 CA GLY A 16 -6.484 6.836 -1.075 1.00 82.76 C

ATOM 96 C GLY A 16 -7.373 7.695 -1.955 1.00 83.82 C

ATOM 97 O GLY A 16 -6.974 8.104 -3.049 1.00 84.26 O

ATOM 98 N PRO A 17 -8.600 7.975 -1.498 1.00 81.40 N

ATOM 99 CA PRO A 17 -9.525 8.781 -2.286 1.00 84.18 C

ATOM 100 C PRO A 17 -9.106 10.238 -2.343 1.00 84.03 C

ATOM 101 O PRO A 17 -8.396 10.730 -1.472 1.00 84.00 O

ATOM 102 CB PRO A 17 -10.860 8.599 -1.553 1.00 83.41 C

ATOM 103 CG PRO A 17 -10.436 8.392 -0.138 1.00 80.45 C

ATOM 104 CD PRO A 17 -9.197 7.533 -0.243 1.00 80.12 C

HETATM 105 N HYP A 18 -9.542 10.971 -3.346 1.00 82.26 N

HETATM 106 CA HYP A 18 -9.322 12.389 -3.460 1.00 84.89 C

HETATM 107 C HYP A 18 -10.008 13.179 -2.336 1.00 81.46 C

HETATM 108 O HYP A 18 -11.001 12.735 -1.753 1.00 84.27 O

HETATM 109 CB HYP A 18 -10.001 12.708 -4.789 1.00 82.17 C

HETATM 110 CG HYP A 18 -9.910 11.450 -5.584 1.00 80.91 C

HETATM 111 CD HYP A 18 -10.126 10.416 -4.538 1.00 83.08 C

HETATM 112 OD1 HYP A 18 -8.647 11.289 -6.161 1.00 84.19 O

ATOM 113 N GLY A 19 -9.452 14.315 -2.004 1.00 87.21 N

ATOM 114 CA GLY A 19 -10.015 15.169 -0.993 1.00 86.47 C

ATOM 115 C GLY A 19 -11.341 15.746 -1.453 1.00 86.83 C

ATOM 116 O GLY A 19 -11.747 15.562 -2.603 1.00 86.08 O

ATOM 117 N PRO A 20 -12.036 16.472 -0.565 1.00 81.21 N

ATOM 118 CA PRO A 20 -13.329 17.043 -0.908 1.00 81.88 C

ATOM 119 C PRO A 20 -13.204 18.168 -1.924 1.00 81.03 C

ATOM 120 O PRO A 20 -12.152 18.794 -2.054 1.00 79.64 O

ATOM 121 CB PRO A 20 -13.863 17.536 0.438 1.00 78.92 C

ATOM 122 CG PRO A 20 -12.625 17.843 1.206 1.00 76.48 C

ATOM 123 CD PRO A 20 -11.657 16.746 0.817 1.00 76.65 C

HETATM 124 N HYP A 21 -14.246 18.464 -2.636 1.00 88.08 N

HETATM 125 CA HYP A 21 -14.310 19.550 -3.618 1.00 86.45 C

HETATM 126 C HYP A 21 -14.187 20.940 -2.998 1.00 87.49 C

HETATM 127 O HYP A 21 -14.575 21.136 -1.845 1.00 85.56 O

HETATM 128 CB HYP A 21 -15.764 19.415 -4.166 1.00 85.18 C

HETATM 129 CG HYP A 21 -16.159 17.989 -3.933 1.00 83.54 C

HETATM 130 CD HYP A 21 -15.461 17.662 -2.640 1.00 86.18 C

HETATM 131 OD1 HYP A 21 -15.634 17.162 -4.953 1.00 84.04 O

ATOM 132 N GLY A 22 -13.595 21.862 -3.690 1.00 84.84 N

ATOM 133 CA GLY A 22 -13.480 23.221 -3.239 1.00 84.06 C

ATOM 134 C GLY A 22 -14.840 23.908 -3.297 1.00 83.84 C

ATOM 135 O GLY A 22 -15.818 23.322 -3.761 1.00 82.75 O

ATOM 136 N PRO A 23 -14.914 25.178 -2.897 1.00 82.54 N

ATOM 137 CA PRO A 23 -16.188 25.893 -2.922 1.00 83.86 C

ATOM 138 C PRO A 23 -16.611 26.214 -4.337 1.00 83.04 C

ATOM 139 O PRO A 23 -15.786 26.271 -5.252 1.00 79.82 O

ATOM 140 CB PRO A 23 -15.890 27.152 -2.102 1.00 79.89 C

ATOM 141 CG PRO A 23 -14.440 27.377 -2.339 1.00 77.15 C

ATOM 142 CD PRO A 23 -13.837 25.983 -2.341 1.00 77.87 C

HETATM 143 N HYP A 24 -17.899 26.506 -4.577 1.00 84.36 N

HETATM 144 CA HYP A 24 -18.317 26.820 -5.926 1.00 83.93 C

HETATM 145 C HYP A 24 -17.619 27.952 -6.519 1.00 80.96 C

HETATM 146 O HYP A 24 -17.676 29.051 -5.959 1.00 80.25 O

HETATM 147 CB HYP A 24 -19.851 27.103 -5.821 1.00 84.32 C

HETATM 148 CG HYP A 24 -20.267 26.450 -4.555 1.00 82.69 C

HETATM 149 CD HYP A 24 -19.003 26.524 -3.654 1.00 83.67 C

HETATM 150 OD1 HYP A 24 -20.541 25.092 -4.798 1.00 81.34 O

HETATM 151 OXT HYP A 24 -16.978 27.694 -7.554 1.00 77.87 O

TER 152 HYP A 24

END

ATOM 1 N GLY A 1 24.962 -23.594 10.166 1.00 92.34 N

ATOM 2 CA GLY A 1 23.953 -23.831 9.130 1.00 93.12 C

ATOM 3 C GLY A 1 23.874 -22.668 8.168 1.00 93.83 C

ATOM 4 O GLY A 1 24.494 -21.624 8.391 1.00 91.79 O

ATOM 5 N PRO A 2 23.120 -22.796 7.093 1.00 95.01 N

ATOM 6 CA PRO A 2 22.982 -21.712 6.119 1.00 95.46 C

ATOM 7 C PRO A 2 22.163 -20.564 6.684 1.00 95.82 C

ATOM 8 O PRO A 2 21.396 -20.734 7.631 1.00 94.23 O

ATOM 9 CB PRO A 2 22.279 -22.382 4.939 1.00 93.58 C

ATOM 10 CG PRO A 2 21.477 -23.466 5.582 1.00 91.30 C

ATOM 11 CD PRO A 2 22.349 -23.973 6.703 1.00 93.02 C

HETATM 12 N HYP A 3 22.345 -19.394 6.127 1.00 96.35 N