MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 74 O HYP A 12 0.367 3.690 -2.079 1.00 93.80 O
HETATM 75 CB HYP A 12 -0.230 3.338 1.024 1.00 93.80 C
HETATM 76 CG HYP A 12 0.810 2.640 1.843 1.00 91.48 C
HETATM 77 CD HYP A 12 1.671 1.975 0.834 1.00 93.95 C
HETATM 78 OD1 HYP A 12 0.219 1.675 2.692 1.00 93.38 O
ATOM 79 N GLY A 13 -1.880 3.544 -1.848 1.00 96.62 N
ATOM 80 CA GLY A 13 -2.159 4.383 -2.989 1.00 96.18 C
ATOM 81 C GLY A 13 -1.842 5.843 -2.687 1.00 96.50 C
ATOM 82 O GLY A 13 -1.555 6.207 -1.546 1.00 96.14 O
ATOM 83 N PRO A 14 -1.904 6.720 -3.716 1.00 95.93 N
ATOM 84 CA PRO A 14 -1.617 8.137 -3.512 1.00 95.85 C
ATOM 85 C PRO A 14 -2.702 8.815 -2.686 1.00 96.03 C
ATOM 86 O PRO A 14 -3.845 8.370 -2.669 1.00 94.66 O
ATOM 87 CB PRO A 14 -1.557 8.696 -4.931 1.00 94.51 C
ATOM 88 CG PRO A 14 -2.448 7.788 -5.704 1.00 93.32 C
ATOM 89 CD PRO A 14 -2.225 6.415 -5.102 1.00 95.12 C
HETATM 90 N HYP A 15 -2.372 9.928 -2.019 1.00 93.75 N
HETATM 91 CA HYP A 15 -3.317 10.717 -1.260 1.00 93.05 C
HETATM 92 C HYP A 15 -4.419 11.329 -2.150 1.00 93.05 C
HETATM 93 O HYP A 15 -4.178 11.592 -3.342 1.00 94.37 O
HETATM 94 CB HYP A 15 -2.416 11.844 -0.697 1.00 93.31 C
HETATM 95 CG HYP A 15 -1.026 11.293 -0.676 1.00 91.59 C
HETATM 96 CD HYP A 15 -1.010 10.382 -1.882 1.00 91.98 C
HETATM 97 OD1 HYP A 15 -0.811 10.515 0.491 1.00 93.35 O
ATOM 98 N GLY A 16 -5.611 11.479 -1.615 1.00 94.54 N
ATOM 99 CA GLY A 16 -6.689 12.085 -2.347 1.00 94.16 C
ATOM 100 C GLY A 16 -6.436 13.567 -2.572 1.00 94.61 C
ATOM 101 O GLY A 16 -5.515 14.144 -1.985 1.00 93.89 O
ATOM 102 N PRO A 17 -7.259 14.225 -3.414 1.00 92.52 N
ATOM 103 CA PRO A 17 -7.087 15.648 -3.689 1.00 92.68 C
ATOM 104 C PRO A 17 -7.446 16.496 -2.479 1.00 93.01 C
ATOM 105 O PRO A 17 -8.193 16.066 -1.605 1.00 91.67 O
ATOM 106 CB PRO A 17 -8.032 15.898 -4.861 1.00 90.08 C
ATOM 107 CG PRO A 17 -9.101 14.872 -4.663 1.00 87.00 C
ATOM 108 CD PRO A 17 -8.376 13.650 -4.142 1.00 89.52 C
HETATM 109 N HYP A 18 -6.925 17.727 -2.439 1.00 93.97 N
HETATM 110 CA HYP A 18 -7.279 18.697 -1.366 1.00 91.99 C
HETATM 111 C HYP A 18 -8.775 19.074 -1.342 1.00 94.99 C
HETATM 112 O HYP A 18 -9.422 19.029 -2.384 1.00 94.74 O
HETATM 113 CB HYP A 18 -6.442 19.962 -1.793 1.00 91.30 C
HETATM 114 CG HYP A 18 -5.293 19.442 -2.627 1.00 90.33 C
HETATM 115 CD HYP A 18 -5.898 18.220 -3.332 1.00 91.65 C
HETATM 116 OD1 HYP A 18 -4.230 18.985 -1.784 1.00 90.81 O
ATOM 117 N GLY A 19 -9.338 19.332 -0.183 1.00 93.23 N
ATOM 118 CA GLY A 19 -10.721 19.740 -0.053 1.00 92.75 C
ATOM 119 C GLY A 19 -10.913 21.153 -0.584 1.00 93.33 C
ATOM 120 O GLY A 19 -9.948 21.839 -0.925 1.00 91.96 O
ATOM 121 N PRO A 20 -12.176 21.637 -0.653 1.00 94.14 N
ATOM 122 CA PRO A 20 -12.455 22.981 -1.147 1.00 94.15 C
ATOM 123 C PRO A 20 -11.989 24.037 -0.164 1.00 93.94 C
ATOM 124 O PRO A 20 -11.875 23.776 1.039 1.00 91.03 O
ATOM 125 CB PRO A 20 -13.968 22.987 -1.319 1.00 91.50 C
ATOM 126 CG PRO A 20 -14.441 22.020 -0.284 1.00 89.12 C
ATOM 127 CD PRO A 20 -13.393 20.931 -0.271 1.00 92.06 C
HETATM 128 N HYP A 21 -11.754 25.333 -0.619 1.00 93.88 N
HETATM 129 CA HYP A 21 -11.400 26.350 0.336 1.00 91.34 C
HETATM 130 C HYP A 21 -12.636 26.763 1.177 1.00 93.59 C
HETATM 131 O HYP A 21 -13.418 25.890 1.385 1.00 91.56 O
HETATM 132 CB HYP A 21 -11.112 27.669 -0.565 1.00 91.69 C
HETATM 133 CG HYP A 21 -10.814 27.166 -1.922 1.00 91.17 C
HETATM 134 CD HYP A 21 -11.614 25.827 -2.004 1.00 92.66 C
HETATM 135 OD1 HYP A 21 -9.427 26.885 -1.992 1.00 87.14 O
HETATM 136 OXT HYP A 21 -12.842 27.938 1.598 1.00 87.63 O
TER 137 HYP A 21
END
ATOM 1 N GLY A 1 -3.831 -4.125 7.926 1.00 69.04 N
ATOM 2 CA GLY A 1 -3.954 -2.687 7.733 1.00 71.23 C
ATOM 3 C GLY A 1 -4.462 -2.355 6.352 1.00 72.33 C
ATOM 4 O GLY A 1 -4.694 -3.248 5.539 1.00 69.15 O
ATOM 5 N PRO A 2 -4.629 -1.078 6.068 1.00 72.04 N
ATOM 6 CA PRO A 2 -5.161 -0.660 4.780 1.00 73.88 C
ATOM 7 C PRO A 2 -4.154 -0.830 3.654 1.00 74.23 C
ATOM 8 O PRO A 2 -2.951 -0.893 3.882 1.00 72.61 O
ATOM 9 CB PRO A 2 -5.483 0.818 4.995 1.00 71.41 C
ATOM 10 CG PRO A 2 -4.500 1.245 6.021 1.00 67.12 C
ATOM 11 CD PRO A 2 -4.343 0.066 6.935 1.00 65.65 C
HETATM 12 N HYP A 3 -4.638 -0.917 2.476 1.00 75.37 N
HETATM 13 CA HYP A 3 -3.822 -0.934 1.305 1.00 77.46 C
HETATM 14 C HYP A 3 -2.952 0.281 1.156 1.00 78.28 C
HETATM 15 O HYP A 3 -3.343 1.382 1.630 1.00 79.14 O
HETATM 16 CB HYP A 3 -4.842 -1.101 0.184 1.00 75.37 C
HETATM 17 CG HYP A 3 -5.976 -1.826 0.853 1.00 72.06 C
HETATM 18 CD HYP A 3 -6.024 -1.139 2.206 1.00 75.66 C
HETATM 19 OD1 HYP A 3 -5.690 -3.184 1.040 1.00 74.45 O
ATOM 20 N GLY A 4 -1.797 0.136 0.627 1.00 80.00 N
ATOM 21 CA GLY A 4 -0.922 1.258 0.400 1.00 77.95 C
ATOM 22 C GLY A 4 -1.482 2.197 -0.648 1.00 77.41 C
ATOM 23 O GLY A 4 -2.510 1.927 -1.274 1.00 74.99 O
ATOM 24 N PRO A 5 -0.802 3.302 -0.860 1.00 76.44 N
ATOM 25 CA PRO A 5 -1.260 4.287 -1.826 1.00 74.66 C
ATOM 26 C PRO A 5 -1.025 3.823 -3.256 1.00 74.64 C
ATOM 27 O PRO A 5 -0.239 2.924 -3.512 1.00 72.53 O
ATOM 28 CB PRO A 5 -0.409 5.510 -1.492 1.00 71.12 C
ATOM 29 CG PRO A 5 0.853 4.924 -0.968 1.00 68.25 C
ATOM 30 CD PRO A 5 0.434 3.705 -0.198 1.00 68.16 C
HETATM 31 N HYP A 6 -1.699 4.447 -4.186 1.00 73.88 N
HETATM 32 CA HYP A 6 -1.459 4.233 -5.565 1.00 76.08 C
HETATM 33 C HYP A 6 -0.046 4.494 -5.980 1.00 75.37 C
HETATM 34 O HYP A 6 0.620 5.297 -5.332 1.00 74.60 O
HETATM 35 CB HYP A 6 -2.504 5.135 -6.211 1.00 72.38 C

HETATM 74 O HYP A 12 0.367 3.690 -2.079 1.00 93.80 O

HETATM 75 CB HYP A 12 -0.230 3.338 1.024 1.00 93.80 C

HETATM 76 CG HYP A 12 0.810 2.640 1.843 1.00 91.48 C

HETATM 77 CD HYP A 12 1.671 1.975 0.834 1.00 93.95 C

HETATM 78 OD1 HYP A 12 0.219 1.675 2.692 1.00 93.38 O

ATOM 79 N GLY A 13 -1.880 3.544 -1.848 1.00 96.62 N

ATOM 80 CA GLY A 13 -2.159 4.383 -2.989 1.00 96.18 C

ATOM 81 C GLY A 13 -1.842 5.843 -2.687 1.00 96.50 C

ATOM 82 O GLY A 13 -1.555 6.207 -1.546 1.00 96.14 O

ATOM 83 N PRO A 14 -1.904 6.720 -3.716 1.00 95.93 N

ATOM 84 CA PRO A 14 -1.617 8.137 -3.512 1.00 95.85 C

ATOM 85 C PRO A 14 -2.702 8.815 -2.686 1.00 96.03 C

ATOM 86 O PRO A 14 -3.845 8.370 -2.669 1.00 94.66 O

ATOM 87 CB PRO A 14 -1.557 8.696 -4.931 1.00 94.51 C

ATOM 88 CG PRO A 14 -2.448 7.788 -5.704 1.00 93.32 C

ATOM 89 CD PRO A 14 -2.225 6.415 -5.102 1.00 95.12 C

HETATM 90 N HYP A 15 -2.372 9.928 -2.019 1.00 93.75 N

HETATM 91 CA HYP A 15 -3.317 10.717 -1.260 1.00 93.05 C

HETATM 92 C HYP A 15 -4.419 11.329 -2.150 1.00 93.05 C

HETATM 93 O HYP A 15 -4.178 11.592 -3.342 1.00 94.37 O

HETATM 94 CB HYP A 15 -2.416 11.844 -0.697 1.00 93.31 C

HETATM 95 CG HYP A 15 -1.026 11.293 -0.676 1.00 91.59 C

HETATM 96 CD HYP A 15 -1.010 10.382 -1.882 1.00 91.98 C

HETATM 97 OD1 HYP A 15 -0.811 10.515 0.491 1.00 93.35 O

ATOM 98 N GLY A 16 -5.611 11.479 -1.615 1.00 94.54 N

ATOM 99 CA GLY A 16 -6.689 12.085 -2.347 1.00 94.16 C

ATOM 100 C GLY A 16 -6.436 13.567 -2.572 1.00 94.61 C

ATOM 101 O GLY A 16 -5.515 14.144 -1.985 1.00 93.89 O

ATOM 102 N PRO A 17 -7.259 14.225 -3.414 1.00 92.52 N

ATOM 103 CA PRO A 17 -7.087 15.648 -3.689 1.00 92.68 C

ATOM 104 C PRO A 17 -7.446 16.496 -2.479 1.00 93.01 C

ATOM 105 O PRO A 17 -8.193 16.066 -1.605 1.00 91.67 O

ATOM 106 CB PRO A 17 -8.032 15.898 -4.861 1.00 90.08 C

ATOM 107 CG PRO A 17 -9.101 14.872 -4.663 1.00 87.00 C

ATOM 108 CD PRO A 17 -8.376 13.650 -4.142 1.00 89.52 C

HETATM 109 N HYP A 18 -6.925 17.727 -2.439 1.00 93.97 N

HETATM 110 CA HYP A 18 -7.279 18.697 -1.366 1.00 91.99 C

HETATM 111 C HYP A 18 -8.775 19.074 -1.342 1.00 94.99 C

HETATM 112 O HYP A 18 -9.422 19.029 -2.384 1.00 94.74 O

HETATM 113 CB HYP A 18 -6.442 19.962 -1.793 1.00 91.30 C

HETATM 114 CG HYP A 18 -5.293 19.442 -2.627 1.00 90.33 C

HETATM 115 CD HYP A 18 -5.898 18.220 -3.332 1.00 91.65 C

HETATM 116 OD1 HYP A 18 -4.230 18.985 -1.784 1.00 90.81 O

ATOM 117 N GLY A 19 -9.338 19.332 -0.183 1.00 93.23 N

ATOM 118 CA GLY A 19 -10.721 19.740 -0.053 1.00 92.75 C

ATOM 119 C GLY A 19 -10.913 21.153 -0.584 1.00 93.33 C

ATOM 120 O GLY A 19 -9.948 21.839 -0.925 1.00 91.96 O

ATOM 121 N PRO A 20 -12.176 21.637 -0.653 1.00 94.14 N

ATOM 122 CA PRO A 20 -12.455 22.981 -1.147 1.00 94.15 C

ATOM 123 C PRO A 20 -11.989 24.037 -0.164 1.00 93.94 C

ATOM 124 O PRO A 20 -11.875 23.776 1.039 1.00 91.03 O

ATOM 125 CB PRO A 20 -13.968 22.987 -1.319 1.00 91.50 C

ATOM 126 CG PRO A 20 -14.441 22.020 -0.284 1.00 89.12 C

ATOM 127 CD PRO A 20 -13.393 20.931 -0.271 1.00 92.06 C

HETATM 128 N HYP A 21 -11.754 25.333 -0.619 1.00 93.88 N

HETATM 129 CA HYP A 21 -11.400 26.350 0.336 1.00 91.34 C

HETATM 130 C HYP A 21 -12.636 26.763 1.177 1.00 93.59 C

HETATM 131 O HYP A 21 -13.418 25.890 1.385 1.00 91.56 O

HETATM 132 CB HYP A 21 -11.112 27.669 -0.565 1.00 91.69 C

HETATM 133 CG HYP A 21 -10.814 27.166 -1.922 1.00 91.17 C

HETATM 134 CD HYP A 21 -11.614 25.827 -2.004 1.00 92.66 C

HETATM 135 OD1 HYP A 21 -9.427 26.885 -1.992 1.00 87.14 O

HETATM 136 OXT HYP A 21 -12.842 27.938 1.598 1.00 87.63 O

TER 137 HYP A 21

END

ATOM 1 N GLY A 1 -3.831 -4.125 7.926 1.00 69.04 N

ATOM 2 CA GLY A 1 -3.954 -2.687 7.733 1.00 71.23 C

ATOM 3 C GLY A 1 -4.462 -2.355 6.352 1.00 72.33 C

ATOM 4 O GLY A 1 -4.694 -3.248 5.539 1.00 69.15 O

ATOM 5 N PRO A 2 -4.629 -1.078 6.068 1.00 72.04 N

ATOM 6 CA PRO A 2 -5.161 -0.660 4.780 1.00 73.88 C

ATOM 7 C PRO A 2 -4.154 -0.830 3.654 1.00 74.23 C

ATOM 8 O PRO A 2 -2.951 -0.893 3.882 1.00 72.61 O

ATOM 9 CB PRO A 2 -5.483 0.818 4.995 1.00 71.41 C

ATOM 10 CG PRO A 2 -4.500 1.245 6.021 1.00 67.12 C

ATOM 11 CD PRO A 2 -4.343 0.066 6.935 1.00 65.65 C

HETATM 12 N HYP A 3 -4.638 -0.917 2.476 1.00 75.37 N

HETATM 13 CA HYP A 3 -3.822 -0.934 1.305 1.00 77.46 C

HETATM 14 C HYP A 3 -2.952 0.281 1.156 1.00 78.28 C

HETATM 15 O HYP A 3 -3.343 1.382 1.630 1.00 79.14 O

HETATM 16 CB HYP A 3 -4.842 -1.101 0.184 1.00 75.37 C

HETATM 17 CG HYP A 3 -5.976 -1.826 0.853 1.00 72.06 C

HETATM 18 CD HYP A 3 -6.024 -1.139 2.206 1.00 75.66 C

HETATM 19 OD1 HYP A 3 -5.690 -3.184 1.040 1.00 74.45 O

ATOM 20 N GLY A 4 -1.797 0.136 0.627 1.00 80.00 N

ATOM 21 CA GLY A 4 -0.922 1.258 0.400 1.00 77.95 C

ATOM 22 C GLY A 4 -1.482 2.197 -0.648 1.00 77.41 C

ATOM 23 O GLY A 4 -2.510 1.927 -1.274 1.00 74.99 O

ATOM 24 N PRO A 5 -0.802 3.302 -0.860 1.00 76.44 N

ATOM 25 CA PRO A 5 -1.260 4.287 -1.826 1.00 74.66 C

ATOM 26 C PRO A 5 -1.025 3.823 -3.256 1.00 74.64 C

ATOM 27 O PRO A 5 -0.239 2.924 -3.512 1.00 72.53 O

ATOM 28 CB PRO A 5 -0.409 5.510 -1.492 1.00 71.12 C

ATOM 29 CG PRO A 5 0.853 4.924 -0.968 1.00 68.25 C

ATOM 30 CD PRO A 5 0.434 3.705 -0.198 1.00 68.16 C

HETATM 31 N HYP A 6 -1.699 4.447 -4.186 1.00 73.88 N

HETATM 32 CA HYP A 6 -1.459 4.233 -5.565 1.00 76.08 C

HETATM 33 C HYP A 6 -0.046 4.494 -5.980 1.00 75.37 C

HETATM 34 O HYP A 6 0.620 5.297 -5.332 1.00 74.60 O

HETATM 35 CB HYP A 6 -2.504 5.135 -6.211 1.00 72.38 C