MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 36 CG HYP A 6 2.679 -7.478 -0.855 1.00 80.62 C
HETATM 37 CD HYP A 6 2.873 -6.171 -0.160 1.00 83.11 C
HETATM 38 OD1 HYP A 6 1.538 -7.416 -1.661 1.00 78.14 O
ATOM 39 N GLY A 7 0.924 -8.766 3.233 1.00 82.32 N
ATOM 40 CA GLY A 7 1.045 -9.251 4.580 1.00 79.65 C
ATOM 41 C GLY A 7 2.025 -10.407 4.644 1.00 80.20 C
ATOM 42 O GLY A 7 2.728 -10.701 3.674 1.00 78.85 O
ATOM 43 N PRO A 8 2.066 -11.074 5.768 1.00 81.64 N
ATOM 44 CA PRO A 8 2.934 -12.242 5.884 1.00 81.85 C
ATOM 45 C PRO A 8 2.460 -13.331 4.927 1.00 82.52 C
ATOM 46 O PRO A 8 1.333 -13.311 4.442 1.00 81.15 O
ATOM 47 CB PRO A 8 2.805 -12.655 7.343 1.00 79.12 C
ATOM 48 CG PRO A 8 1.578 -12.000 7.831 1.00 78.16 C
ATOM 49 CD PRO A 8 1.328 -10.791 6.986 1.00 78.59 C
HETATM 50 N HYP A 9 3.337 -14.304 4.665 1.00 76.37 N
HETATM 51 CA HYP A 9 2.985 -15.369 3.824 1.00 83.57 C
HETATM 52 C HYP A 9 1.677 -15.947 4.089 1.00 79.28 C
HETATM 53 O HYP A 9 1.361 -16.183 5.277 1.00 77.06 O
HETATM 54 CB HYP A 9 4.167 -16.321 3.878 1.00 80.64 C
HETATM 55 CG HYP A 9 5.328 -15.374 4.121 1.00 76.66 C
HETATM 56 CD HYP A 9 4.718 -14.349 5.040 1.00 77.73 C
HETATM 57 OD1 HYP A 9 5.742 -14.729 2.953 1.00 75.81 O
ATOM 58 N GLY A 10 0.770 -16.006 3.081 1.00 80.18 N
ATOM 59 CA GLY A 10 -0.551 -16.554 3.189 1.00 77.05 C
ATOM 60 C GLY A 10 -1.605 -15.599 3.718 1.00 76.34 C
ATOM 61 O GLY A 10 -2.766 -15.972 3.825 1.00 73.77 O
ATOM 62 N VAL A 11 -1.235 -14.370 4.065 1.00 72.49 N
ATOM 63 CA VAL A 11 -2.156 -13.387 4.618 1.00 73.17 C
ATOM 64 C VAL A 11 -2.006 -12.084 3.836 1.00 70.57 C
ATOM 65 O VAL A 11 -0.945 -11.470 3.880 1.00 68.86 O
ATOM 66 CB VAL A 11 -1.880 -13.124 6.112 1.00 69.82 C
ATOM 67 CG1 VAL A 11 -2.876 -12.115 6.655 1.00 64.40 C
ATOM 68 CG2 VAL A 11 -1.947 -14.418 6.912 1.00 67.20 C
ATOM 69 N PRO A 12 -3.042 -11.636 3.109 1.00 68.76 N
ATOM 70 CA PRO A 12 -2.940 -10.363 2.397 1.00 68.62 C
ATOM 71 C PRO A 12 -2.735 -9.213 3.361 1.00 68.62 C
ATOM 72 O PRO A 12 -3.230 -9.235 4.488 1.00 65.30 O
ATOM 73 CB PRO A 12 -4.293 -10.232 1.684 1.00 65.25 C
ATOM 74 CG PRO A 12 -4.801 -11.620 1.590 1.00 62.33 C
ATOM 75 CD PRO A 12 -4.333 -12.291 2.851 1.00 60.82 C
ATOM 76 N GLY A 13 -2.021 -8.217 2.902 1.00 76.37 N
ATOM 77 CA GLY A 13 -1.837 -7.035 3.717 1.00 73.97 C
ATOM 78 C GLY A 13 -3.104 -6.211 3.747 1.00 74.29 C
ATOM 79 O GLY A 13 -4.003 -6.397 2.922 1.00 73.52 O
ATOM 80 N PRO A 14 -3.210 -5.294 4.693 1.00 68.91 N
ATOM 81 CA PRO A 14 -4.379 -4.425 4.763 1.00 70.68 C
ATOM 82 C PRO A 14 -4.266 -3.327 3.717 1.00 70.41 C
ATOM 83 O PRO A 14 -3.203 -3.087 3.159 1.00 68.36 O
ATOM 84 CB PRO A 14 -4.298 -3.849 6.172 1.00 68.33 C
ATOM 85 CG PRO A 14 -2.829 -3.785 6.433 1.00 66.07 C
ATOM 86 CD PRO A 14 -2.263 -5.019 5.782 1.00 63.80 C
HETATM 87 N HYP A 15 -5.365 -2.663 3.461 1.00 72.86 N
HETATM 88 CA HYP A 15 -5.340 -1.490 2.626 1.00 67.58 C
HETATM 89 C HYP A 15 -4.402 -0.459 3.187 1.00 74.78 C
HETATM 90 O HYP A 15 -4.224 -0.404 4.417 1.00 74.38 O
HETATM 91 CB HYP A 15 -6.800 -1.074 2.640 1.00 67.44 C
HETATM 92 CG HYP A 15 -7.521 -2.409 2.769 1.00 70.48 C
HETATM 93 CD HYP A 15 -6.683 -3.125 3.777 1.00 76.05 C
HETATM 94 OD1 HYP A 15 -7.510 -3.119 1.548 1.00 73.57 O
ATOM 95 N GLY A 16 -3.764 0.269 2.322 1.00 76.01 N
ATOM 96 CA GLY A 16 -2.840 1.281 2.762 1.00 73.15 C
ATOM 97 C GLY A 16 -3.561 2.427 3.436 1.00 73.43 C
ATOM 98 O GLY A 16 -4.795 2.488 3.448 1.00 73.37 O
ATOM 99 N PRO A 17 -2.795 3.362 3.995 1.00 65.10 N
ATOM 100 CA PRO A 17 -3.411 4.519 4.630 1.00 67.08 C
ATOM 101 C PRO A 17 -4.041 5.421 3.583 1.00 66.32 C
ATOM 102 O PRO A 17 -3.745 5.322 2.399 1.00 66.80 O
ATOM 103 CB PRO A 17 -2.234 5.200 5.327 1.00 66.33 C
ATOM 104 CG PRO A 17 -1.051 4.792 4.526 1.00 64.96 C
ATOM 105 CD PRO A 17 -1.336 3.393 4.062 1.00 62.99 C
HETATM 106 N HYP A 18 -4.909 6.300 4.015 1.00 70.39 N
HETATM 107 CA HYP A 18 -5.467 7.280 3.119 1.00 69.18 C
HETATM 108 C HYP A 18 -4.420 8.065 2.411 1.00 69.85 C
HETATM 109 O HYP A 18 -3.327 8.291 2.967 1.00 71.34 O
HETATM 110 CB HYP A 18 -6.321 8.075 4.064 1.00 67.33 C
HETATM 111 CG HYP A 18 -6.775 7.071 5.099 1.00 69.44 C
HETATM 112 CD HYP A 18 -5.525 6.270 5.321 1.00 73.96 C
HETATM 113 OD1 HYP A 18 -7.792 6.219 4.618 1.00 72.73 O
ATOM 114 N GLY A 19 -4.683 8.435 1.190 1.00 71.10 N
ATOM 115 CA GLY A 19 -3.765 9.229 0.419 1.00 68.49 C
ATOM 116 C GLY A 19 -3.590 10.603 1.024 1.00 68.41 C
ATOM 117 O GLY A 19 -4.272 10.971 1.979 1.00 69.11 O
ATOM 118 N PRO A 20 -2.678 11.381 0.453 1.00 59.51 N
ATOM 119 CA PRO A 20 -2.445 12.716 0.973 1.00 62.95 C
ATOM 120 C PRO A 20 -3.636 13.619 0.701 1.00 62.41 C
ATOM 121 O PRO A 20 -4.446 13.351 -0.177 1.00 63.87 O
ATOM 122 CB PRO A 20 -1.203 13.175 0.211 1.00 61.47 C
ATOM 123 CG PRO A 20 -1.264 12.407 -1.066 1.00 57.96 C
ATOM 124 CD PRO A 20 -1.843 11.063 -0.691 1.00 56.72 C
HETATM 125 N HYP A 21 -3.735 14.694 1.428 1.00 69.86 N
HETATM 126 CA HYP A 21 -4.759 15.651 1.210 1.00 70.58 C
HETATM 127 C HYP A 21 -4.688 16.271 -0.168 1.00 68.06 C
HETATM 128 O HYP A 21 -3.562 16.413 -0.722 1.00 73.67 O
HETATM 129 CB HYP A 21 -4.377 16.728 2.253 1.00 69.21 C
HETATM 130 CG HYP A 21 -3.639 15.986 3.352 1.00 69.54 C
HETATM 131 CD HYP A 21 -2.851 14.983 2.562 1.00 74.09 C
HETATM 132 OD1 HYP A 21 -4.555 15.293 4.194 1.00 74.09 O
ATOM 133 N GLY A 22 -5.795 16.519 -0.765 1.00 71.31 N
ATOM 134 CA GLY A 22 -5.818 17.178 -2.043 1.00 69.56 C
ATOM 135 C GLY A 22 -5.316 18.602 -1.920 1.00 67.84 C

HETATM 36 CG HYP A 6 2.679 -7.478 -0.855 1.00 80.62 C

HETATM 37 CD HYP A 6 2.873 -6.171 -0.160 1.00 83.11 C

HETATM 38 OD1 HYP A 6 1.538 -7.416 -1.661 1.00 78.14 O

ATOM 39 N GLY A 7 0.924 -8.766 3.233 1.00 82.32 N

ATOM 40 CA GLY A 7 1.045 -9.251 4.580 1.00 79.65 C

ATOM 41 C GLY A 7 2.025 -10.407 4.644 1.00 80.20 C

ATOM 42 O GLY A 7 2.728 -10.701 3.674 1.00 78.85 O

ATOM 43 N PRO A 8 2.066 -11.074 5.768 1.00 81.64 N

ATOM 44 CA PRO A 8 2.934 -12.242 5.884 1.00 81.85 C

ATOM 45 C PRO A 8 2.460 -13.331 4.927 1.00 82.52 C

ATOM 46 O PRO A 8 1.333 -13.311 4.442 1.00 81.15 O

ATOM 47 CB PRO A 8 2.805 -12.655 7.343 1.00 79.12 C

ATOM 48 CG PRO A 8 1.578 -12.000 7.831 1.00 78.16 C

ATOM 49 CD PRO A 8 1.328 -10.791 6.986 1.00 78.59 C

HETATM 50 N HYP A 9 3.337 -14.304 4.665 1.00 76.37 N

HETATM 51 CA HYP A 9 2.985 -15.369 3.824 1.00 83.57 C

HETATM 52 C HYP A 9 1.677 -15.947 4.089 1.00 79.28 C

HETATM 53 O HYP A 9 1.361 -16.183 5.277 1.00 77.06 O

HETATM 54 CB HYP A 9 4.167 -16.321 3.878 1.00 80.64 C

HETATM 55 CG HYP A 9 5.328 -15.374 4.121 1.00 76.66 C

HETATM 56 CD HYP A 9 4.718 -14.349 5.040 1.00 77.73 C

HETATM 57 OD1 HYP A 9 5.742 -14.729 2.953 1.00 75.81 O

ATOM 58 N GLY A 10 0.770 -16.006 3.081 1.00 80.18 N

ATOM 59 CA GLY A 10 -0.551 -16.554 3.189 1.00 77.05 C

ATOM 60 C GLY A 10 -1.605 -15.599 3.718 1.00 76.34 C

ATOM 61 O GLY A 10 -2.766 -15.972 3.825 1.00 73.77 O

ATOM 62 N VAL A 11 -1.235 -14.370 4.065 1.00 72.49 N

ATOM 63 CA VAL A 11 -2.156 -13.387 4.618 1.00 73.17 C

ATOM 64 C VAL A 11 -2.006 -12.084 3.836 1.00 70.57 C

ATOM 65 O VAL A 11 -0.945 -11.470 3.880 1.00 68.86 O

ATOM 66 CB VAL A 11 -1.880 -13.124 6.112 1.00 69.82 C

ATOM 67 CG1 VAL A 11 -2.876 -12.115 6.655 1.00 64.40 C

ATOM 68 CG2 VAL A 11 -1.947 -14.418 6.912 1.00 67.20 C

ATOM 69 N PRO A 12 -3.042 -11.636 3.109 1.00 68.76 N

ATOM 70 CA PRO A 12 -2.940 -10.363 2.397 1.00 68.62 C

ATOM 71 C PRO A 12 -2.735 -9.213 3.361 1.00 68.62 C

ATOM 72 O PRO A 12 -3.230 -9.235 4.488 1.00 65.30 O

ATOM 73 CB PRO A 12 -4.293 -10.232 1.684 1.00 65.25 C

ATOM 74 CG PRO A 12 -4.801 -11.620 1.590 1.00 62.33 C

ATOM 75 CD PRO A 12 -4.333 -12.291 2.851 1.00 60.82 C

ATOM 76 N GLY A 13 -2.021 -8.217 2.902 1.00 76.37 N

ATOM 77 CA GLY A 13 -1.837 -7.035 3.717 1.00 73.97 C

ATOM 78 C GLY A 13 -3.104 -6.211 3.747 1.00 74.29 C

ATOM 79 O GLY A 13 -4.003 -6.397 2.922 1.00 73.52 O

ATOM 80 N PRO A 14 -3.210 -5.294 4.693 1.00 68.91 N

ATOM 81 CA PRO A 14 -4.379 -4.425 4.763 1.00 70.68 C

ATOM 82 C PRO A 14 -4.266 -3.327 3.717 1.00 70.41 C

ATOM 83 O PRO A 14 -3.203 -3.087 3.159 1.00 68.36 O

ATOM 84 CB PRO A 14 -4.298 -3.849 6.172 1.00 68.33 C

ATOM 85 CG PRO A 14 -2.829 -3.785 6.433 1.00 66.07 C

ATOM 86 CD PRO A 14 -2.263 -5.019 5.782 1.00 63.80 C

HETATM 87 N HYP A 15 -5.365 -2.663 3.461 1.00 72.86 N

HETATM 88 CA HYP A 15 -5.340 -1.490 2.626 1.00 67.58 C

HETATM 89 C HYP A 15 -4.402 -0.459 3.187 1.00 74.78 C

HETATM 90 O HYP A 15 -4.224 -0.404 4.417 1.00 74.38 O

HETATM 91 CB HYP A 15 -6.800 -1.074 2.640 1.00 67.44 C

HETATM 92 CG HYP A 15 -7.521 -2.409 2.769 1.00 70.48 C

HETATM 93 CD HYP A 15 -6.683 -3.125 3.777 1.00 76.05 C

HETATM 94 OD1 HYP A 15 -7.510 -3.119 1.548 1.00 73.57 O

ATOM 95 N GLY A 16 -3.764 0.269 2.322 1.00 76.01 N

ATOM 96 CA GLY A 16 -2.840 1.281 2.762 1.00 73.15 C

ATOM 97 C GLY A 16 -3.561 2.427 3.436 1.00 73.43 C

ATOM 98 O GLY A 16 -4.795 2.488 3.448 1.00 73.37 O

ATOM 99 N PRO A 17 -2.795 3.362 3.995 1.00 65.10 N

ATOM 100 CA PRO A 17 -3.411 4.519 4.630 1.00 67.08 C

ATOM 101 C PRO A 17 -4.041 5.421 3.583 1.00 66.32 C

ATOM 102 O PRO A 17 -3.745 5.322 2.399 1.00 66.80 O

ATOM 103 CB PRO A 17 -2.234 5.200 5.327 1.00 66.33 C

ATOM 104 CG PRO A 17 -1.051 4.792 4.526 1.00 64.96 C

ATOM 105 CD PRO A 17 -1.336 3.393 4.062 1.00 62.99 C

HETATM 106 N HYP A 18 -4.909 6.300 4.015 1.00 70.39 N

HETATM 107 CA HYP A 18 -5.467 7.280 3.119 1.00 69.18 C

HETATM 108 C HYP A 18 -4.420 8.065 2.411 1.00 69.85 C

HETATM 109 O HYP A 18 -3.327 8.291 2.967 1.00 71.34 O

HETATM 110 CB HYP A 18 -6.321 8.075 4.064 1.00 67.33 C

HETATM 111 CG HYP A 18 -6.775 7.071 5.099 1.00 69.44 C

HETATM 112 CD HYP A 18 -5.525 6.270 5.321 1.00 73.96 C

HETATM 113 OD1 HYP A 18 -7.792 6.219 4.618 1.00 72.73 O

ATOM 114 N GLY A 19 -4.683 8.435 1.190 1.00 71.10 N

ATOM 115 CA GLY A 19 -3.765 9.229 0.419 1.00 68.49 C

ATOM 116 C GLY A 19 -3.590 10.603 1.024 1.00 68.41 C

ATOM 117 O GLY A 19 -4.272 10.971 1.979 1.00 69.11 O

ATOM 118 N PRO A 20 -2.678 11.381 0.453 1.00 59.51 N

ATOM 119 CA PRO A 20 -2.445 12.716 0.973 1.00 62.95 C

ATOM 120 C PRO A 20 -3.636 13.619 0.701 1.00 62.41 C

ATOM 121 O PRO A 20 -4.446 13.351 -0.177 1.00 63.87 O

ATOM 122 CB PRO A 20 -1.203 13.175 0.211 1.00 61.47 C

ATOM 123 CG PRO A 20 -1.264 12.407 -1.066 1.00 57.96 C

ATOM 124 CD PRO A 20 -1.843 11.063 -0.691 1.00 56.72 C

HETATM 125 N HYP A 21 -3.735 14.694 1.428 1.00 69.86 N

HETATM 126 CA HYP A 21 -4.759 15.651 1.210 1.00 70.58 C

HETATM 127 C HYP A 21 -4.688 16.271 -0.168 1.00 68.06 C

HETATM 128 O HYP A 21 -3.562 16.413 -0.722 1.00 73.67 O

HETATM 129 CB HYP A 21 -4.377 16.728 2.253 1.00 69.21 C

HETATM 130 CG HYP A 21 -3.639 15.986 3.352 1.00 69.54 C

HETATM 131 CD HYP A 21 -2.851 14.983 2.562 1.00 74.09 C

HETATM 132 OD1 HYP A 21 -4.555 15.293 4.194 1.00 74.09 O

ATOM 133 N GLY A 22 -5.795 16.519 -0.765 1.00 71.31 N

ATOM 134 CA GLY A 22 -5.818 17.178 -2.043 1.00 69.56 C

ATOM 135 C GLY A 22 -5.316 18.602 -1.920 1.00 67.84 C