MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 136 O GLY A 22 -5.151 19.114 -0.807 1.00 68.21 O
ATOM 137 N PRO A 23 -5.090 19.266 -3.033 1.00 71.71 N
ATOM 138 CA PRO A 23 -4.623 20.647 -2.981 1.00 75.06 C
ATOM 139 C PRO A 23 -5.742 21.557 -2.525 1.00 74.23 C
ATOM 140 O PRO A 23 -6.923 21.247 -2.683 1.00 71.75 O
ATOM 141 CB PRO A 23 -4.199 20.933 -4.409 1.00 70.52 C
ATOM 142 CG PRO A 23 -5.033 20.013 -5.228 1.00 65.45 C
ATOM 143 CD PRO A 23 -5.215 18.773 -4.396 1.00 66.31 C
HETATM 144 N HYP A 24 -5.388 22.752 -1.991 1.00 76.27 N
HETATM 145 CA HYP A 24 -6.468 23.638 -1.638 1.00 78.62 C
HETATM 146 C HYP A 24 -6.977 24.207 -2.981 1.00 70.99 C
HETATM 147 O HYP A 24 -6.657 25.269 -3.447 1.00 76.98 O
HETATM 148 CB HYP A 24 -5.675 24.829 -0.964 1.00 75.73 C
HETATM 149 CG HYP A 24 -4.377 24.257 -0.478 1.00 73.04 C
HETATM 150 CD HYP A 24 -4.060 23.146 -1.506 1.00 76.42 C
HETATM 151 OD1 HYP A 24 -4.575 23.671 0.796 1.00 76.10 O
HETATM 152 OXT HYP A 24 -7.665 23.389 -3.560 1.00 70.17 O
TER 153 HYP A 24
END
ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N
ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C
ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C
ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O
ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N
ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C
ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C
ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O
ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C
ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C
ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C
HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N
HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C
HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C
HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O
HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C
HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C
HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C
HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O
ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N
ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C
ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C
ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O
ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N
ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C
ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C
ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O
ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C
ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C
ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C
HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N
HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C
HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C
HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O
HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C
HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C
HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C
HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O
ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N
ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C
ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C
ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O
ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N
ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C
ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C
ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O
ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C
ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C
ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C
HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N
HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C
HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C
HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O
HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C
HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C
HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C
HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O
ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N
ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C
ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C
ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O
ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N
ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C
ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C
ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O
ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C
ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C
ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C
HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N
HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C
HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C
HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O
HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C
HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C
HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C
HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O
ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N
ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C
ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C
ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O
ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N

ATOM 136 O GLY A 22 -5.151 19.114 -0.807 1.00 68.21 O

ATOM 137 N PRO A 23 -5.090 19.266 -3.033 1.00 71.71 N

ATOM 138 CA PRO A 23 -4.623 20.647 -2.981 1.00 75.06 C

ATOM 139 C PRO A 23 -5.742 21.557 -2.525 1.00 74.23 C

ATOM 140 O PRO A 23 -6.923 21.247 -2.683 1.00 71.75 O

ATOM 141 CB PRO A 23 -4.199 20.933 -4.409 1.00 70.52 C

ATOM 142 CG PRO A 23 -5.033 20.013 -5.228 1.00 65.45 C

ATOM 143 CD PRO A 23 -5.215 18.773 -4.396 1.00 66.31 C

HETATM 144 N HYP A 24 -5.388 22.752 -1.991 1.00 76.27 N

HETATM 145 CA HYP A 24 -6.468 23.638 -1.638 1.00 78.62 C

HETATM 146 C HYP A 24 -6.977 24.207 -2.981 1.00 70.99 C

HETATM 147 O HYP A 24 -6.657 25.269 -3.447 1.00 76.98 O

HETATM 148 CB HYP A 24 -5.675 24.829 -0.964 1.00 75.73 C

HETATM 149 CG HYP A 24 -4.377 24.257 -0.478 1.00 73.04 C

HETATM 150 CD HYP A 24 -4.060 23.146 -1.506 1.00 76.42 C

HETATM 151 OD1 HYP A 24 -4.575 23.671 0.796 1.00 76.10 O

HETATM 152 OXT HYP A 24 -7.665 23.389 -3.560 1.00 70.17 O

TER 153 HYP A 24

END

ATOM 1 N GLY A 1 33.316 -6.616 9.763 1.00 82.24 N

ATOM 2 CA GLY A 1 33.022 -6.649 8.338 1.00 86.00 C

ATOM 3 C GLY A 1 32.099 -5.523 7.931 1.00 86.80 C

ATOM 4 O GLY A 1 31.556 -4.819 8.789 1.00 83.84 O

ATOM 5 N PRO A 2 31.905 -5.324 6.655 1.00 83.91 N

ATOM 6 CA PRO A 2 31.021 -4.261 6.181 1.00 88.07 C

ATOM 7 C PRO A 2 29.563 -4.573 6.484 1.00 87.91 C

ATOM 8 O PRO A 2 29.195 -5.718 6.738 1.00 86.11 O

ATOM 9 CB PRO A 2 31.278 -4.222 4.676 1.00 85.42 C

ATOM 10 CG PRO A 2 31.683 -5.627 4.351 1.00 81.51 C

ATOM 11 CD PRO A 2 32.469 -6.102 5.548 1.00 82.15 C

HETATM 12 N HYP A 3 28.812 -3.588 6.495 1.00 85.97 N

HETATM 13 CA HYP A 3 27.339 -3.736 6.627 1.00 86.75 C

HETATM 14 C HYP A 3 26.778 -4.634 5.581 1.00 86.17 C

HETATM 15 O HYP A 3 27.290 -4.697 4.451 1.00 87.28 O

HETATM 16 CB HYP A 3 26.839 -2.330 6.570 1.00 83.07 C

HETATM 17 CG HYP A 3 28.009 -1.485 7.053 1.00 83.33 C

HETATM 18 CD HYP A 3 29.196 -2.224 6.418 1.00 85.75 C

HETATM 19 OD1 HYP A 3 28.143 -1.536 8.440 1.00 87.79 O

ATOM 20 N GLY A 4 25.717 -5.381 5.927 1.00 90.34 N

ATOM 21 CA GLY A 4 25.066 -6.257 4.984 1.00 89.45 C

ATOM 22 C GLY A 4 24.347 -5.471 3.900 1.00 88.82 C

ATOM 23 O GLY A 4 24.223 -4.244 3.977 1.00 87.33 O

ATOM 24 N PRO A 5 23.862 -6.166 2.883 1.00 90.31 N

ATOM 25 CA PRO A 5 23.155 -5.494 1.803 1.00 89.67 C

ATOM 26 C PRO A 5 21.807 -4.953 2.265 1.00 89.50 C

ATOM 27 O PRO A 5 21.256 -5.402 3.262 1.00 88.18 O

ATOM 28 CB PRO A 5 22.981 -6.591 0.752 1.00 87.89 C

ATOM 29 CG PRO A 5 22.955 -7.850 1.564 1.00 86.58 C

ATOM 30 CD PRO A 5 23.919 -7.609 2.696 1.00 87.63 C

HETATM 31 N HYP A 6 21.333 -3.990 1.552 1.00 86.47 N

HETATM 32 CA HYP A 6 19.972 -3.482 1.821 1.00 89.55 C

HETATM 33 C HYP A 6 18.949 -4.587 1.727 1.00 88.29 C

HETATM 34 O HYP A 6 19.117 -5.545 0.946 1.00 87.99 O

HETATM 35 CB HYP A 6 19.795 -2.454 0.693 1.00 86.96 C

HETATM 36 CG HYP A 6 21.198 -1.993 0.383 1.00 83.97 C

HETATM 37 CD HYP A 6 22.006 -3.285 0.523 1.00 86.14 C

HETATM 38 OD1 HYP A 6 21.642 -1.059 1.337 1.00 86.12 O

ATOM 39 N GLY A 7 17.892 -4.465 2.542 1.00 91.51 N

ATOM 40 CA GLY A 7 16.812 -5.416 2.506 1.00 90.26 C

ATOM 41 C GLY A 7 16.013 -5.305 1.223 1.00 90.30 C

ATOM 42 O GLY A 7 16.199 -4.378 0.433 1.00 89.30 O

ATOM 43 N PRO A 8 15.102 -6.236 1.005 1.00 87.90 N

ATOM 44 CA PRO A 8 14.279 -6.204 -0.197 1.00 87.66 C

ATOM 45 C PRO A 8 13.271 -5.066 -0.144 1.00 87.81 C

ATOM 46 O PRO A 8 12.963 -4.543 0.919 1.00 85.55 O

ATOM 47 CB PRO A 8 13.586 -7.565 -0.193 1.00 85.36 C

ATOM 48 CG PRO A 8 13.514 -7.916 1.252 1.00 85.20 C

ATOM 49 CD PRO A 8 14.780 -7.373 1.860 1.00 85.92 C

HETATM 50 N HYP A 9 12.754 -4.668 -1.287 1.00 87.88 N

HETATM 51 CA HYP A 9 11.678 -3.691 -1.331 1.00 89.79 C

HETATM 52 C HYP A 9 10.516 -4.137 -0.516 1.00 88.89 C

HETATM 53 O HYP A 9 10.251 -5.354 -0.389 1.00 88.72 O

HETATM 54 CB HYP A 9 11.364 -3.692 -2.872 1.00 88.46 C

HETATM 55 CG HYP A 9 12.666 -4.042 -3.510 1.00 86.66 C

HETATM 56 CD HYP A 9 13.239 -5.082 -2.561 1.00 88.79 C

HETATM 57 OD1 HYP A 9 13.547 -2.916 -3.532 1.00 86.19 O

ATOM 58 N GLY A 10 9.768 -3.156 0.022 1.00 90.80 N

ATOM 59 CA GLY A 10 8.574 -3.450 0.779 1.00 89.35 C

ATOM 60 C GLY A 10 7.500 -4.079 -0.087 1.00 89.74 C

ATOM 61 O GLY A 10 7.611 -4.110 -1.315 1.00 88.39 O

ATOM 62 N PRO A 11 6.444 -4.585 0.541 1.00 89.24 N

ATOM 63 CA PRO A 11 5.364 -5.219 -0.210 1.00 88.98 C

ATOM 64 C PRO A 11 4.563 -4.193 -1.005 1.00 89.24 C

ATOM 65 O PRO A 11 4.555 -3.011 -0.682 1.00 86.99 O

ATOM 66 CB PRO A 11 4.518 -5.870 0.871 1.00 87.15 C

ATOM 67 CG PRO A 11 4.747 -5.015 2.066 1.00 87.18 C

ATOM 68 CD PRO A 11 6.193 -4.592 1.985 1.00 87.55 C

HETATM 69 N HYP A 12 3.885 -4.630 -2.014 1.00 90.07 N

HETATM 70 CA HYP A 12 2.963 -3.768 -2.759 1.00 88.48 C

HETATM 71 C HYP A 12 1.887 -3.216 -1.857 1.00 91.35 C

HETATM 72 O HYP A 12 1.519 -3.842 -0.842 1.00 89.53 O

HETATM 73 CB HYP A 12 2.345 -4.822 -3.755 1.00 87.56 C

HETATM 74 CG HYP A 12 3.420 -5.830 -3.937 1.00 84.93 C

HETATM 75 CD HYP A 12 4.010 -5.941 -2.557 1.00 89.26 C

HETATM 76 OD1 HYP A 12 4.441 -5.361 -4.805 1.00 87.35 O

ATOM 77 N GLY A 13 1.418 -2.032 -2.189 1.00 92.12 N

ATOM 78 CA GLY A 13 0.350 -1.434 -1.434 1.00 90.67 C

ATOM 79 C GLY A 13 -0.938 -2.233 -1.568 1.00 91.21 C

ATOM 80 O GLY A 13 -1.034 -3.149 -2.384 1.00 90.87 O

ATOM 81 N PRO A 14 -1.935 -1.878 -0.767 1.00 90.73 N