MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 3 C GLY A 1 17.585 -27.615 6.557 1.00 84.54 C
ATOM 4 O GLY A 1 16.412 -27.986 6.625 1.00 82.41 O
ATOM 5 N PRO A 2 17.935 -26.383 6.950 1.00 86.62 N
ATOM 6 CA PRO A 2 16.956 -25.443 7.504 1.00 89.68 C
ATOM 7 C PRO A 2 15.994 -24.935 6.443 1.00 89.70 C
ATOM 8 O PRO A 2 16.293 -24.946 5.252 1.00 88.38 O
ATOM 9 CB PRO A 2 17.833 -24.315 8.062 1.00 87.39 C
ATOM 10 CG PRO A 2 19.034 -24.348 7.185 1.00 82.15 C
ATOM 11 CD PRO A 2 19.284 -25.818 6.933 1.00 82.72 C
HETATM 12 N HYP A 3 14.911 -24.573 6.846 1.00 86.67 N
HETATM 13 CA HYP A 3 13.855 -23.903 5.968 1.00 84.76 C
HETATM 14 C HYP A 3 14.342 -22.634 5.298 1.00 86.58 C
HETATM 15 O HYP A 3 15.170 -21.907 5.862 1.00 85.99 O
HETATM 16 CB HYP A 3 12.769 -23.605 6.993 1.00 85.17 C
HETATM 17 CG HYP A 3 12.981 -24.571 8.162 1.00 82.91 C
HETATM 18 CD HYP A 3 14.525 -24.680 8.243 1.00 85.63 C
HETATM 19 OD1 HYP A 3 12.473 -25.835 7.864 1.00 85.76 O
ATOM 20 N GLY A 4 13.831 -22.343 4.121 1.00 87.22 N
ATOM 21 CA GLY A 4 14.176 -21.134 3.413 1.00 85.67 C
ATOM 22 C GLY A 4 13.519 -19.928 4.066 1.00 85.44 C
ATOM 23 O GLY A 4 12.651 -20.069 4.929 1.00 85.85 O
ATOM 24 N PRO A 5 13.906 -18.728 3.656 1.00 87.64 N
ATOM 25 CA PRO A 5 13.332 -17.513 4.232 1.00 88.59 C
ATOM 26 C PRO A 5 11.902 -17.284 3.763 1.00 88.30 C
ATOM 27 O PRO A 5 11.488 -17.785 2.720 1.00 86.92 O
ATOM 28 CB PRO A 5 14.271 -16.411 3.745 1.00 86.45 C
ATOM 29 CG PRO A 5 14.738 -16.937 2.428 1.00 84.00 C
ATOM 30 CD PRO A 5 14.928 -18.425 2.662 1.00 85.28 C
HETATM 31 N HYP A 6 11.149 -16.564 4.561 1.00 87.88 N
HETATM 32 CA HYP A 6 9.792 -16.127 4.122 1.00 89.26 C
HETATM 33 C HYP A 6 9.802 -15.310 2.877 1.00 86.75 C
HETATM 34 O HYP A 6 10.783 -14.596 2.583 1.00 84.44 O
HETATM 35 CB HYP A 6 9.337 -15.283 5.353 1.00 84.66 C
HETATM 36 CG HYP A 6 10.086 -15.817 6.535 1.00 83.98 C
HETATM 37 CD HYP A 6 11.437 -16.129 5.921 1.00 86.54 C
HETATM 38 OD1 HYP A 6 9.507 -16.998 7.041 1.00 83.85 O
ATOM 39 N GLY A 7 8.731 -15.344 2.073 1.00 89.62 N
ATOM 40 CA GLY A 7 8.611 -14.589 0.849 1.00 87.86 C
ATOM 41 C GLY A 7 8.488 -13.105 1.133 1.00 87.83 C
ATOM 42 O GLY A 7 8.305 -12.683 2.278 1.00 87.50 O
ATOM 43 N PRO A 8 8.576 -12.285 0.094 1.00 85.14 N
ATOM 44 CA PRO A 8 8.481 -10.840 0.271 1.00 86.07 C
ATOM 45 C PRO A 8 7.058 -10.409 0.620 1.00 85.23 C
ATOM 46 O PRO A 8 6.096 -11.125 0.349 1.00 84.05 O
ATOM 47 CB PRO A 8 8.928 -10.282 -1.077 1.00 84.16 C
ATOM 48 CG PRO A 8 8.518 -11.356 -2.030 1.00 83.32 C
ATOM 49 CD PRO A 8 8.818 -12.642 -1.292 1.00 84.42 C
HETATM 50 N HYP A 9 6.918 -9.234 1.212 1.00 80.97 N
HETATM 51 CA HYP A 9 5.604 -8.668 1.482 1.00 85.69 C
HETATM 52 C HYP A 9 4.841 -8.423 0.252 1.00 82.95 C
HETATM 53 O HYP A 9 5.396 -8.107 -0.788 1.00 79.85 O
HETATM 54 CB HYP A 9 5.987 -7.329 2.172 1.00 81.26 C
HETATM 55 CG HYP A 9 7.350 -7.532 2.735 1.00 80.42 C
HETATM 56 CD HYP A 9 7.977 -8.424 1.732 1.00 83.50 C
HETATM 57 OD1 HYP A 9 7.295 -8.184 3.996 1.00 81.81 O
ATOM 58 N GLY A 10 3.499 -8.461 0.336 1.00 84.44 N
ATOM 59 CA GLY A 10 2.622 -8.213 -0.782 1.00 81.68 C
ATOM 60 C GLY A 10 2.733 -6.776 -1.271 1.00 81.50 C
ATOM 61 O GLY A 10 3.367 -5.936 -0.631 1.00 80.40 O
ATOM 62 N PRO A 11 2.090 -6.469 -2.404 1.00 81.89 N
ATOM 63 CA PRO A 11 2.157 -5.114 -2.949 1.00 82.24 C
ATOM 64 C PRO A 11 1.384 -4.110 -2.105 1.00 80.69 C
ATOM 65 O PRO A 11 0.452 -4.455 -1.382 1.00 79.04 O
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 3 C GLY A 1 17.585 -27.615 6.557 1.00 84.54 C

ATOM 4 O GLY A 1 16.412 -27.986 6.625 1.00 82.41 O

ATOM 5 N PRO A 2 17.935 -26.383 6.950 1.00 86.62 N

ATOM 6 CA PRO A 2 16.956 -25.443 7.504 1.00 89.68 C

ATOM 7 C PRO A 2 15.994 -24.935 6.443 1.00 89.70 C

ATOM 8 O PRO A 2 16.293 -24.946 5.252 1.00 88.38 O

ATOM 9 CB PRO A 2 17.833 -24.315 8.062 1.00 87.39 C

ATOM 10 CG PRO A 2 19.034 -24.348 7.185 1.00 82.15 C

ATOM 11 CD PRO A 2 19.284 -25.818 6.933 1.00 82.72 C

HETATM 12 N HYP A 3 14.911 -24.573 6.846 1.00 86.67 N

HETATM 13 CA HYP A 3 13.855 -23.903 5.968 1.00 84.76 C

HETATM 14 C HYP A 3 14.342 -22.634 5.298 1.00 86.58 C

HETATM 15 O HYP A 3 15.170 -21.907 5.862 1.00 85.99 O

HETATM 16 CB HYP A 3 12.769 -23.605 6.993 1.00 85.17 C

HETATM 17 CG HYP A 3 12.981 -24.571 8.162 1.00 82.91 C

HETATM 18 CD HYP A 3 14.525 -24.680 8.243 1.00 85.63 C

HETATM 19 OD1 HYP A 3 12.473 -25.835 7.864 1.00 85.76 O

ATOM 20 N GLY A 4 13.831 -22.343 4.121 1.00 87.22 N

ATOM 21 CA GLY A 4 14.176 -21.134 3.413 1.00 85.67 C

ATOM 22 C GLY A 4 13.519 -19.928 4.066 1.00 85.44 C

ATOM 23 O GLY A 4 12.651 -20.069 4.929 1.00 85.85 O

ATOM 24 N PRO A 5 13.906 -18.728 3.656 1.00 87.64 N

ATOM 25 CA PRO A 5 13.332 -17.513 4.232 1.00 88.59 C

ATOM 26 C PRO A 5 11.902 -17.284 3.763 1.00 88.30 C

ATOM 27 O PRO A 5 11.488 -17.785 2.720 1.00 86.92 O

ATOM 28 CB PRO A 5 14.271 -16.411 3.745 1.00 86.45 C

ATOM 29 CG PRO A 5 14.738 -16.937 2.428 1.00 84.00 C

ATOM 30 CD PRO A 5 14.928 -18.425 2.662 1.00 85.28 C

HETATM 31 N HYP A 6 11.149 -16.564 4.561 1.00 87.88 N

HETATM 32 CA HYP A 6 9.792 -16.127 4.122 1.00 89.26 C

HETATM 33 C HYP A 6 9.802 -15.310 2.877 1.00 86.75 C

HETATM 34 O HYP A 6 10.783 -14.596 2.583 1.00 84.44 O

HETATM 35 CB HYP A 6 9.337 -15.283 5.353 1.00 84.66 C

HETATM 36 CG HYP A 6 10.086 -15.817 6.535 1.00 83.98 C

HETATM 37 CD HYP A 6 11.437 -16.129 5.921 1.00 86.54 C

HETATM 38 OD1 HYP A 6 9.507 -16.998 7.041 1.00 83.85 O

ATOM 39 N GLY A 7 8.731 -15.344 2.073 1.00 89.62 N

ATOM 40 CA GLY A 7 8.611 -14.589 0.849 1.00 87.86 C

ATOM 41 C GLY A 7 8.488 -13.105 1.133 1.00 87.83 C

ATOM 42 O GLY A 7 8.305 -12.683 2.278 1.00 87.50 O

ATOM 43 N PRO A 8 8.576 -12.285 0.094 1.00 85.14 N

ATOM 44 CA PRO A 8 8.481 -10.840 0.271 1.00 86.07 C

ATOM 45 C PRO A 8 7.058 -10.409 0.620 1.00 85.23 C

ATOM 46 O PRO A 8 6.096 -11.125 0.349 1.00 84.05 O

ATOM 47 CB PRO A 8 8.928 -10.282 -1.077 1.00 84.16 C

ATOM 48 CG PRO A 8 8.518 -11.356 -2.030 1.00 83.32 C

ATOM 49 CD PRO A 8 8.818 -12.642 -1.292 1.00 84.42 C

HETATM 50 N HYP A 9 6.918 -9.234 1.212 1.00 80.97 N

HETATM 51 CA HYP A 9 5.604 -8.668 1.482 1.00 85.69 C

HETATM 52 C HYP A 9 4.841 -8.423 0.252 1.00 82.95 C

HETATM 53 O HYP A 9 5.396 -8.107 -0.788 1.00 79.85 O

HETATM 54 CB HYP A 9 5.987 -7.329 2.172 1.00 81.26 C

HETATM 55 CG HYP A 9 7.350 -7.532 2.735 1.00 80.42 C

HETATM 56 CD HYP A 9 7.977 -8.424 1.732 1.00 83.50 C

HETATM 57 OD1 HYP A 9 7.295 -8.184 3.996 1.00 81.81 O

ATOM 58 N GLY A 10 3.499 -8.461 0.336 1.00 84.44 N

ATOM 59 CA GLY A 10 2.622 -8.213 -0.782 1.00 81.68 C

ATOM 60 C GLY A 10 2.733 -6.776 -1.271 1.00 81.50 C

ATOM 61 O GLY A 10 3.367 -5.936 -0.631 1.00 80.40 O

ATOM 62 N PRO A 11 2.090 -6.469 -2.404 1.00 81.89 N

ATOM 63 CA PRO A 11 2.157 -5.114 -2.949 1.00 82.24 C

ATOM 64 C PRO A 11 1.384 -4.110 -2.105 1.00 80.69 C

ATOM 65 O PRO A 11 0.452 -4.455 -1.382 1.00 79.04 O

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