MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 13 CA HYP A 3 21.549 -18.245 6.487 1.00 96.16 C
HETATM 14 C HYP A 3 20.067 -18.525 6.296 1.00 96.99 C
HETATM 15 O HYP A 3 19.685 -19.258 5.372 1.00 95.40 O
HETATM 16 CB HYP A 3 21.990 -17.172 5.503 1.00 95.26 C
HETATM 17 CG HYP A 3 23.363 -17.572 5.070 1.00 93.94 C
HETATM 18 CD HYP A 3 23.270 -19.100 5.040 1.00 95.88 C
HETATM 19 OD1 HYP A 3 24.328 -17.182 5.991 1.00 94.54 O
ATOM 20 N GLY A 4 19.276 -17.942 7.180 1.00 97.02 N
ATOM 21 CA GLY A 4 17.844 -18.087 7.051 1.00 96.79 C
ATOM 22 C GLY A 4 17.337 -17.332 5.832 1.00 96.91 C
ATOM 23 O GLY A 4 18.061 -16.527 5.237 1.00 96.56 O
ATOM 24 N PRO A 5 16.091 -17.576 5.458 1.00 96.80 N
ATOM 25 CA PRO A 5 15.527 -16.892 4.293 1.00 96.79 C
ATOM 26 C PRO A 5 15.255 -15.426 4.594 1.00 97.00 C
ATOM 27 O PRO A 5 15.149 -15.029 5.749 1.00 96.58 O
ATOM 28 CB PRO A 5 14.238 -17.667 4.015 1.00 95.90 C
ATOM 29 CG PRO A 5 13.845 -18.156 5.363 1.00 94.61 C
ATOM 30 CD PRO A 5 15.142 -18.508 6.054 1.00 95.99 C
HETATM 31 N HYP A 6 15.151 -14.616 3.557 1.00 97.25 N
HETATM 32 CA HYP A 6 14.721 -13.228 3.724 1.00 97.08 C
HETATM 33 C HYP A 6 13.376 -13.101 4.355 1.00 97.58 C
HETATM 34 O HYP A 6 12.539 -13.986 4.183 1.00 96.76 O
HETATM 35 CB HYP A 6 14.689 -12.691 2.270 1.00 95.81 C
HETATM 36 CG HYP A 6 15.649 -13.569 1.536 1.00 94.54 C
HETATM 37 CD HYP A 6 15.455 -14.916 2.200 1.00 96.21 C
HETATM 38 OD1 HYP A 6 16.971 -13.130 1.723 1.00 93.01 O
ATOM 39 N GLY A 7 13.168 -12.042 5.116 1.00 97.44 N
ATOM 40 CA GLY A 7 11.892 -11.817 5.750 1.00 97.17 C
ATOM 41 C GLY A 7 10.811 -11.570 4.719 1.00 97.31 C
ATOM 42 O GLY A 7 11.094 -11.353 3.533 1.00 97.05 O
ATOM 43 N PRO A 8 9.563 -11.591 5.156 1.00 97.21 N
ATOM 44 CA PRO A 8 8.455 -11.353 4.233 1.00 97.19 C
ATOM 45 C PRO A 8 8.392 -9.893 3.802 1.00 97.11 C
ATOM 46 O PRO A 8 8.920 -9.010 4.475 1.00 96.48 O
ATOM 47 CB PRO A 8 7.227 -11.752 5.045 1.00 96.44 C
ATOM 48 CG PRO A 8 7.639 -11.466 6.450 1.00 95.61 C
ATOM 49 CD PRO A 8 9.095 -11.853 6.514 1.00 96.84 C
HETATM 50 N HYP A 9 7.774 -9.594 2.709 1.00 97.28 N
HETATM 51 CA HYP A 9 7.500 -8.250 2.256 1.00 97.17 C
HETATM 52 C HYP A 9 6.669 -7.518 3.222 1.00 97.39 C
HETATM 53 O HYP A 9 5.829 -8.089 3.889 1.00 96.62 O
HETATM 54 CB HYP A 9 6.733 -8.459 0.919 1.00 96.04 C
HETATM 55 CG HYP A 9 7.256 -9.756 0.437 1.00 95.06 C
HETATM 56 CD HYP A 9 7.420 -10.543 1.701 1.00 96.19 C
HETATM 57 OD1 HYP A 9 8.513 -9.592 -0.189 1.00 93.12 O
ATOM 58 N GLY A 10 6.901 -6.208 3.330 1.00 97.16 N
ATOM 59 CA GLY A 10 6.132 -5.377 4.223 1.00 96.72 C
ATOM 60 C GLY A 10 4.668 -5.341 3.823 1.00 97.10 C
ATOM 61 O GLY A 10 4.296 -5.707 2.707 1.00 96.66 O
ATOM 62 N ALA A 11 3.849 -4.881 4.748 1.00 96.93 N
ATOM 63 CA ALA A 11 2.419 -4.775 4.480 1.00 96.88 C
ATOM 64 C ALA A 11 2.157 -3.704 3.424 1.00 97.37 C
ATOM 65 O ALA A 11 2.926 -2.747 3.293 1.00 96.63 O
ATOM 66 CB ALA A 11 1.672 -4.427 5.761 1.00 95.50 C
ATOM 67 N PRO A 12 1.052 -3.818 2.665 1.00 96.75 N
ATOM 68 CA PRO A 12 0.724 -2.784 1.686 1.00 96.62 C
ATOM 69 C PRO A 12 0.522 -1.442 2.383 1.00 96.89 C
ATOM 70 O PRO A 12 0.143 -1.390 3.555 1.00 95.94 O
ATOM 71 CB PRO A 12 -0.581 -3.280 1.048 1.00 95.57 C
ATOM 72 CG PRO A 12 -0.541 -4.755 1.232 1.00 94.44 C
ATOM 73 CD PRO A 12 0.106 -4.948 2.572 1.00 95.84 C
ATOM 74 N GLY A 13 0.800 -0.384 1.654 1.00 96.66 N
ATOM 75 CA GLY A 13 0.594 0.943 2.197 1.00 96.16 C
ATOM 76 C GLY A 13 -0.881 1.254 2.358 1.00 96.76 C
ATOM 77 O GLY A 13 -1.741 0.492 1.907 1.00 96.68 O
ATOM 78 N PRO A 14 -1.194 2.378 3.002 1.00 96.43 N
ATOM 79 CA PRO A 14 -2.591 2.746 3.203 1.00 96.37 C
ATOM 80 C PRO A 14 -3.243 3.191 1.900 1.00 96.60 C
ATOM 81 O PRO A 14 -2.563 3.531 0.937 1.00 96.06 O
ATOM 82 CB PRO A 14 -2.508 3.900 4.203 1.00 95.50 C
ATOM 83 CG PRO A 14 -1.184 4.521 3.913 1.00 94.49 C
ATOM 84 CD PRO A 14 -0.276 3.358 3.594 1.00 95.65 C
HETATM 85 N HYP A 15 -4.559 3.198 1.836 1.00 96.19 N
HETATM 86 CA HYP A 15 -5.297 3.718 0.710 1.00 96.35 C
HETATM 87 C HYP A 15 -4.980 5.143 0.411 1.00 96.99 C
HETATM 88 O HYP A 15 -4.654 5.905 1.333 1.00 95.58 O
HETATM 89 CB HYP A 15 -6.733 3.539 1.129 1.00 95.83 C
HETATM 90 CG HYP A 15 -6.685 2.400 2.099 1.00 94.52 C
HETATM 91 CD HYP A 15 -5.404 2.626 2.800 1.00 96.05 C
HETATM 92 OD1 HYP A 15 -6.649 1.151 1.443 1.00 94.44 O
ATOM 93 N GLY A 16 -5.047 5.528 -0.813 1.00 96.43 N
ATOM 94 CA GLY A 16 -4.833 6.907 -1.183 1.00 95.78 C
ATOM 95 C GLY A 16 -5.969 7.780 -0.674 1.00 96.00 C
ATOM 96 O GLY A 16 -6.976 7.284 -0.156 1.00 95.98 O
ATOM 97 N PRO A 17 -5.818 9.093 -0.827 1.00 95.94 N
ATOM 98 CA PRO A 17 -6.856 10.009 -0.358 1.00 95.57 C
ATOM 99 C PRO A 17 -8.108 9.925 -1.215 1.00 95.52 C
ATOM 100 O PRO A 17 -8.071 9.453 -2.344 1.00 94.69 O
ATOM 101 CB PRO A 17 -6.183 11.380 -0.468 1.00 94.13 C
ATOM 102 CG PRO A 17 -5.210 11.202 -1.580 1.00 93.37 C
ATOM 103 CD PRO A 17 -4.681 9.800 -1.421 1.00 95.21 C
HETATM 104 N HYP A 18 -9.221 10.383 -0.721 1.00 96.65 N
HETATM 105 CA HYP A 18 -10.453 10.457 -1.440 1.00 96.29 C
HETATM 106 C HYP A 18 -10.350 11.306 -2.689 1.00 96.78 C
HETATM 107 O HYP A 18 -9.610 12.309 -2.708 1.00 95.64 O
HETATM 108 CB HYP A 18 -11.428 11.086 -0.478 1.00 95.50 C
HETATM 109 CG HYP A 18 -10.858 10.761 0.883 1.00 94.14 C
HETATM 110 CD HYP A 18 -9.373 10.806 0.627 1.00 95.72 C
HETATM 111 OD1 HYP A 18 -11.227 9.470 1.271 1.00 93.51 O
ATOM 112 N GLY A 19 -11.036 10.912 -3.730 1.00 95.72 N

HETATM 13 CA HYP A 3 21.549 -18.245 6.487 1.00 96.16 C

HETATM 14 C HYP A 3 20.067 -18.525 6.296 1.00 96.99 C

HETATM 15 O HYP A 3 19.685 -19.258 5.372 1.00 95.40 O

HETATM 16 CB HYP A 3 21.990 -17.172 5.503 1.00 95.26 C

HETATM 17 CG HYP A 3 23.363 -17.572 5.070 1.00 93.94 C

HETATM 18 CD HYP A 3 23.270 -19.100 5.040 1.00 95.88 C

HETATM 19 OD1 HYP A 3 24.328 -17.182 5.991 1.00 94.54 O

ATOM 20 N GLY A 4 19.276 -17.942 7.180 1.00 97.02 N

ATOM 21 CA GLY A 4 17.844 -18.087 7.051 1.00 96.79 C

ATOM 22 C GLY A 4 17.337 -17.332 5.832 1.00 96.91 C

ATOM 23 O GLY A 4 18.061 -16.527 5.237 1.00 96.56 O

ATOM 24 N PRO A 5 16.091 -17.576 5.458 1.00 96.80 N

ATOM 25 CA PRO A 5 15.527 -16.892 4.293 1.00 96.79 C

ATOM 26 C PRO A 5 15.255 -15.426 4.594 1.00 97.00 C

ATOM 27 O PRO A 5 15.149 -15.029 5.749 1.00 96.58 O

ATOM 28 CB PRO A 5 14.238 -17.667 4.015 1.00 95.90 C

ATOM 29 CG PRO A 5 13.845 -18.156 5.363 1.00 94.61 C

ATOM 30 CD PRO A 5 15.142 -18.508 6.054 1.00 95.99 C

HETATM 31 N HYP A 6 15.151 -14.616 3.557 1.00 97.25 N

HETATM 32 CA HYP A 6 14.721 -13.228 3.724 1.00 97.08 C

HETATM 33 C HYP A 6 13.376 -13.101 4.355 1.00 97.58 C

HETATM 34 O HYP A 6 12.539 -13.986 4.183 1.00 96.76 O

HETATM 35 CB HYP A 6 14.689 -12.691 2.270 1.00 95.81 C

HETATM 36 CG HYP A 6 15.649 -13.569 1.536 1.00 94.54 C

HETATM 37 CD HYP A 6 15.455 -14.916 2.200 1.00 96.21 C

HETATM 38 OD1 HYP A 6 16.971 -13.130 1.723 1.00 93.01 O

ATOM 39 N GLY A 7 13.168 -12.042 5.116 1.00 97.44 N

ATOM 40 CA GLY A 7 11.892 -11.817 5.750 1.00 97.17 C

ATOM 41 C GLY A 7 10.811 -11.570 4.719 1.00 97.31 C

ATOM 42 O GLY A 7 11.094 -11.353 3.533 1.00 97.05 O

ATOM 43 N PRO A 8 9.563 -11.591 5.156 1.00 97.21 N

ATOM 44 CA PRO A 8 8.455 -11.353 4.233 1.00 97.19 C

ATOM 45 C PRO A 8 8.392 -9.893 3.802 1.00 97.11 C

ATOM 46 O PRO A 8 8.920 -9.010 4.475 1.00 96.48 O

ATOM 47 CB PRO A 8 7.227 -11.752 5.045 1.00 96.44 C

ATOM 48 CG PRO A 8 7.639 -11.466 6.450 1.00 95.61 C

ATOM 49 CD PRO A 8 9.095 -11.853 6.514 1.00 96.84 C

HETATM 50 N HYP A 9 7.774 -9.594 2.709 1.00 97.28 N

HETATM 51 CA HYP A 9 7.500 -8.250 2.256 1.00 97.17 C

HETATM 52 C HYP A 9 6.669 -7.518 3.222 1.00 97.39 C

HETATM 53 O HYP A 9 5.829 -8.089 3.889 1.00 96.62 O

HETATM 54 CB HYP A 9 6.733 -8.459 0.919 1.00 96.04 C

HETATM 55 CG HYP A 9 7.256 -9.756 0.437 1.00 95.06 C

HETATM 56 CD HYP A 9 7.420 -10.543 1.701 1.00 96.19 C

HETATM 57 OD1 HYP A 9 8.513 -9.592 -0.189 1.00 93.12 O

ATOM 58 N GLY A 10 6.901 -6.208 3.330 1.00 97.16 N

ATOM 59 CA GLY A 10 6.132 -5.377 4.223 1.00 96.72 C

ATOM 60 C GLY A 10 4.668 -5.341 3.823 1.00 97.10 C

ATOM 61 O GLY A 10 4.296 -5.707 2.707 1.00 96.66 O

ATOM 62 N ALA A 11 3.849 -4.881 4.748 1.00 96.93 N

ATOM 63 CA ALA A 11 2.419 -4.775 4.480 1.00 96.88 C

ATOM 64 C ALA A 11 2.157 -3.704 3.424 1.00 97.37 C

ATOM 65 O ALA A 11 2.926 -2.747 3.293 1.00 96.63 O

ATOM 66 CB ALA A 11 1.672 -4.427 5.761 1.00 95.50 C

ATOM 67 N PRO A 12 1.052 -3.818 2.665 1.00 96.75 N

ATOM 68 CA PRO A 12 0.724 -2.784 1.686 1.00 96.62 C

ATOM 69 C PRO A 12 0.522 -1.442 2.383 1.00 96.89 C

ATOM 70 O PRO A 12 0.143 -1.390 3.555 1.00 95.94 O

ATOM 71 CB PRO A 12 -0.581 -3.280 1.048 1.00 95.57 C

ATOM 72 CG PRO A 12 -0.541 -4.755 1.232 1.00 94.44 C

ATOM 73 CD PRO A 12 0.106 -4.948 2.572 1.00 95.84 C

ATOM 74 N GLY A 13 0.800 -0.384 1.654 1.00 96.66 N

ATOM 75 CA GLY A 13 0.594 0.943 2.197 1.00 96.16 C

ATOM 76 C GLY A 13 -0.881 1.254 2.358 1.00 96.76 C

ATOM 77 O GLY A 13 -1.741 0.492 1.907 1.00 96.68 O

ATOM 78 N PRO A 14 -1.194 2.378 3.002 1.00 96.43 N

ATOM 79 CA PRO A 14 -2.591 2.746 3.203 1.00 96.37 C

ATOM 80 C PRO A 14 -3.243 3.191 1.900 1.00 96.60 C

ATOM 81 O PRO A 14 -2.563 3.531 0.937 1.00 96.06 O

ATOM 82 CB PRO A 14 -2.508 3.900 4.203 1.00 95.50 C

ATOM 83 CG PRO A 14 -1.184 4.521 3.913 1.00 94.49 C

ATOM 84 CD PRO A 14 -0.276 3.358 3.594 1.00 95.65 C

HETATM 85 N HYP A 15 -4.559 3.198 1.836 1.00 96.19 N

HETATM 86 CA HYP A 15 -5.297 3.718 0.710 1.00 96.35 C

HETATM 87 C HYP A 15 -4.980 5.143 0.411 1.00 96.99 C

HETATM 88 O HYP A 15 -4.654 5.905 1.333 1.00 95.58 O

HETATM 89 CB HYP A 15 -6.733 3.539 1.129 1.00 95.83 C

HETATM 90 CG HYP A 15 -6.685 2.400 2.099 1.00 94.52 C

HETATM 91 CD HYP A 15 -5.404 2.626 2.800 1.00 96.05 C

HETATM 92 OD1 HYP A 15 -6.649 1.151 1.443 1.00 94.44 O

ATOM 93 N GLY A 16 -5.047 5.528 -0.813 1.00 96.43 N

ATOM 94 CA GLY A 16 -4.833 6.907 -1.183 1.00 95.78 C

ATOM 95 C GLY A 16 -5.969 7.780 -0.674 1.00 96.00 C

ATOM 96 O GLY A 16 -6.976 7.284 -0.156 1.00 95.98 O

ATOM 97 N PRO A 17 -5.818 9.093 -0.827 1.00 95.94 N

ATOM 98 CA PRO A 17 -6.856 10.009 -0.358 1.00 95.57 C

ATOM 99 C PRO A 17 -8.108 9.925 -1.215 1.00 95.52 C

ATOM 100 O PRO A 17 -8.071 9.453 -2.344 1.00 94.69 O

ATOM 101 CB PRO A 17 -6.183 11.380 -0.468 1.00 94.13 C

ATOM 102 CG PRO A 17 -5.210 11.202 -1.580 1.00 93.37 C

ATOM 103 CD PRO A 17 -4.681 9.800 -1.421 1.00 95.21 C

HETATM 104 N HYP A 18 -9.221 10.383 -0.721 1.00 96.65 N

HETATM 105 CA HYP A 18 -10.453 10.457 -1.440 1.00 96.29 C

HETATM 106 C HYP A 18 -10.350 11.306 -2.689 1.00 96.78 C

HETATM 107 O HYP A 18 -9.610 12.309 -2.708 1.00 95.64 O

HETATM 108 CB HYP A 18 -11.428 11.086 -0.478 1.00 95.50 C

HETATM 109 CG HYP A 18 -10.858 10.761 0.883 1.00 94.14 C

HETATM 110 CD HYP A 18 -9.373 10.806 0.627 1.00 95.72 C

HETATM 111 OD1 HYP A 18 -11.227 9.470 1.271 1.00 93.51 O

ATOM 112 N GLY A 19 -11.036 10.912 -3.730 1.00 95.72 N