MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 150 CG HYP A 24 -7.494 24.288 2.071 1.00 74.45 C
HETATM 151 CD HYP A 24 -7.578 23.320 0.862 1.00 76.74 C
HETATM 152 OD1 HYP A 24 -6.925 23.577 3.167 1.00 77.04 O
HETATM 153 OXT HYP A 24 -11.951 23.075 1.331 1.00 73.99 O
TER 154 HYP A 24
END
ATOM 1 N GLY A 1 18.010 -29.971 -5.553 1.00 92.80 N
ATOM 2 CA GLY A 1 18.533 -28.704 -5.056 1.00 94.53 C
ATOM 3 C GLY A 1 17.515 -27.978 -4.205 1.00 94.82 C
ATOM 4 O GLY A 1 16.349 -28.376 -4.160 1.00 93.56 O
ATOM 5 N PRO A 2 17.900 -26.897 -3.528 1.00 94.02 N
ATOM 6 CA PRO A 2 16.972 -26.150 -2.680 1.00 94.98 C
ATOM 7 C PRO A 2 15.937 -25.392 -3.503 1.00 94.84 C
ATOM 8 O PRO A 2 16.166 -25.080 -4.664 1.00 94.77 O
ATOM 9 CB PRO A 2 17.880 -25.189 -1.908 1.00 92.96 C
ATOM 10 CG PRO A 2 19.044 -24.995 -2.811 1.00 89.19 C
ATOM 11 CD PRO A 2 19.246 -26.314 -3.505 1.00 91.35 C
HETATM 12 N HYP A 3 14.878 -25.148 -2.931 1.00 93.06 N
HETATM 13 CA HYP A 3 13.776 -24.299 -3.534 1.00 91.55 C
HETATM 14 C HYP A 3 14.245 -22.889 -3.866 1.00 92.38 C
HETATM 15 O HYP A 3 15.125 -22.342 -3.182 1.00 93.93 O
HETATM 16 CB HYP A 3 12.747 -24.292 -2.412 1.00 92.59 C
HETATM 17 CG HYP A 3 13.028 -25.512 -1.533 1.00 90.16 C
HETATM 18 CD HYP A 3 14.564 -25.609 -1.576 1.00 93.01 C
HETATM 19 OD1 HYP A 3 12.478 -26.672 -2.098 1.00 92.76 O
ATOM 20 N GLY A 4 13.670 -22.303 -4.896 1.00 94.32 N
ATOM 21 CA GLY A 4 13.970 -20.938 -5.246 1.00 93.29 C
ATOM 22 C GLY A 4 13.363 -19.968 -4.244 1.00 93.31 C
ATOM 23 O GLY A 4 12.554 -20.350 -3.404 1.00 94.09 O
ATOM 24 N PRO A 5 13.740 -18.694 -4.337 1.00 94.42 N
ATOM 25 CA PRO A 5 13.212 -17.696 -3.405 1.00 94.88 C
ATOM 26 C PRO A 5 11.755 -17.366 -3.694 1.00 94.53 C
ATOM 27 O PRO A 5 11.278 -17.556 -4.804 1.00 94.63 O
ATOM 28 CB PRO A 5 14.117 -16.481 -3.636 1.00 93.23 C
ATOM 29 CG PRO A 5 14.525 -16.618 -5.063 1.00 90.97 C
ATOM 30 CD PRO A 5 14.675 -18.106 -5.291 1.00 93.23 C
HETATM 31 N HYP A 6 11.086 -16.896 -2.681 1.00 90.78 N
HETATM 32 CA HYP A 6 9.704 -16.365 -2.868 1.00 94.75 C
HETATM 33 C HYP A 6 9.662 -15.218 -3.837 1.00 89.48 C
HETATM 34 O HYP A 6 10.634 -14.450 -3.963 1.00 93.25 O
HETATM 35 CB HYP A 6 9.344 -15.886 -1.432 1.00 88.25 C
HETATM 36 CG HYP A 6 10.220 -16.663 -0.470 1.00 89.02 C
HETATM 37 CD HYP A 6 11.500 -16.826 -1.276 1.00 90.06 C
HETATM 38 OD1 HYP A 6 9.660 -17.940 -0.204 1.00 91.45 O
ATOM 39 N GLY A 7 8.534 -15.047 -4.534 1.00 95.01 N
ATOM 40 CA GLY A 7 8.344 -13.933 -5.434 1.00 94.56 C
ATOM 41 C GLY A 7 8.225 -12.627 -4.668 1.00 94.83 C
ATOM 42 O GLY A 7 8.110 -12.609 -3.441 1.00 95.01 O
ATOM 43 N PRO A 8 8.243 -11.501 -5.396 1.00 94.01 N
ATOM 44 CA PRO A 8 8.144 -10.196 -4.745 1.00 94.45 C
ATOM 45 C PRO A 8 6.754 -9.948 -4.177 1.00 94.31 C
ATOM 46 O PRO A 8 5.778 -10.549 -4.619 1.00 93.70 O
ATOM 47 CB PRO A 8 8.472 -9.206 -5.863 1.00 92.75 C
ATOM 48 CG PRO A 8 8.045 -9.925 -7.097 1.00 91.59 C
ATOM 49 CD PRO A 8 8.357 -11.380 -6.843 1.00 93.36 C
HETATM 50 N HYP A 9 6.657 -9.060 -3.208 1.00 90.95 N
HETATM 51 CA HYP A 9 5.380 -8.635 -2.644 1.00 93.27 C
HETATM 52 C HYP A 9 4.529 -7.970 -3.663 1.00 93.17 C
HETATM 53 O HYP A 9 5.018 -7.292 -4.584 1.00 92.28 O
HETATM 54 CB HYP A 9 5.841 -7.637 -1.534 1.00 89.55 C
HETATM 55 CG HYP A 9 7.263 -7.999 -1.201 1.00 87.86 C
HETATM 56 CD HYP A 9 7.795 -8.478 -2.503 1.00 90.18 C
HETATM 57 OD1 HYP A 9 7.292 -9.064 -0.259 1.00 89.38 O
ATOM 58 N GLY A 10 3.187 -8.099 -3.556 1.00 92.91 N
ATOM 59 CA GLY A 10 2.253 -7.437 -4.440 1.00 91.33 C
ATOM 60 C GLY A 10 2.253 -5.928 -4.230 1.00 91.67 C
ATOM 61 O GLY A 10 2.837 -5.403 -3.276 1.00 90.71 O
ATOM 62 N ASP A 11 1.571 -5.217 -5.149 1.00 93.75 N
ATOM 63 CA ASP A 11 1.496 -3.761 -5.073 1.00 94.64 C
ATOM 64 C ASP A 11 0.737 -3.314 -3.832 1.00 94.93 C
ATOM 65 O ASP A 11 -0.192 -3.971 -3.372 1.00 93.19 O
ATOM 66 CB ASP A 11 0.797 -3.195 -6.306 1.00 92.51 C
ATOM 67 CG ASP A 11 1.617 -3.323 -7.572 1.00 87.71 C
ATOM 68 OD1 ASP A 11 2.841 -3.524 -7.481 1.00 85.34 O
ATOM 69 OD2 ASP A 11 1.019 -3.215 -8.663 1.00 82.89 O
ATOM 70 N ARG A 12 1.132 -2.159 -3.292 1.00 93.64 N
ATOM 71 CA ARG A 12 0.419 -1.544 -2.184 1.00 93.43 C
ATOM 72 C ARG A 12 -0.979 -1.161 -2.650 1.00 93.54 C
ATOM 73 O ARG A 12 -1.174 -0.794 -3.812 1.00 90.97 O
ATOM 74 CB ARG A 12 1.185 -0.306 -1.691 1.00 89.17 C
ATOM 75 CG ARG A 12 0.600 0.323 -0.449 1.00 83.56 C
ATOM 76 CD ARG A 12 1.295 1.624 -0.108 1.00 80.89 C
ATOM 77 NE ARG A 12 2.716 1.442 0.161 1.00 75.93 N
ATOM 78 CZ ARG A 12 3.564 2.415 0.425 1.00 73.08 C
ATOM 79 NH1 ARG A 12 3.154 3.680 0.476 1.00 71.87 N
ATOM 80 NH2 ARG A 12 4.844 2.149 0.641 1.00 66.19 N
ATOM 81 N GLY A 13 -1.937 -1.257 -1.732 1.00 93.31 N
ATOM 82 CA GLY A 13 -3.292 -0.855 -2.058 1.00 91.72 C
ATOM 83 C GLY A 13 -3.405 0.636 -2.320 1.00 92.33 C
ATOM 84 O GLY A 13 -2.444 1.387 -2.118 1.00 92.48 O
ATOM 85 N PRO A 14 -4.580 1.093 -2.772 1.00 93.04 N
ATOM 86 CA PRO A 14 -4.772 2.509 -3.077 1.00 92.78 C
ATOM 87 C PRO A 14 -4.737 3.373 -1.822 1.00 92.60 C
ATOM 88 O PRO A 14 -4.950 2.890 -0.715 1.00 92.53 O
ATOM 89 CB PRO A 14 -6.142 2.561 -3.744 1.00 91.03 C
ATOM 90 CG PRO A 14 -6.856 1.369 -3.201 1.00 90.05 C
ATOM 91 CD PRO A 14 -5.796 0.316 -3.036 1.00 91.54 C
HETATM 92 N HYP A 15 -4.492 4.688 -1.991 1.00 86.98 N
HETATM 93 CA HYP A 15 -4.507 5.647 -0.930 1.00 84.57 C
HETATM 94 C HYP A 15 -5.877 5.711 -0.222 1.00 86.68 C

HETATM 150 CG HYP A 24 -7.494 24.288 2.071 1.00 74.45 C

HETATM 151 CD HYP A 24 -7.578 23.320 0.862 1.00 76.74 C

HETATM 152 OD1 HYP A 24 -6.925 23.577 3.167 1.00 77.04 O

HETATM 153 OXT HYP A 24 -11.951 23.075 1.331 1.00 73.99 O

TER 154 HYP A 24

END

ATOM 1 N GLY A 1 18.010 -29.971 -5.553 1.00 92.80 N

ATOM 2 CA GLY A 1 18.533 -28.704 -5.056 1.00 94.53 C

ATOM 3 C GLY A 1 17.515 -27.978 -4.205 1.00 94.82 C

ATOM 4 O GLY A 1 16.349 -28.376 -4.160 1.00 93.56 O

ATOM 5 N PRO A 2 17.900 -26.897 -3.528 1.00 94.02 N

ATOM 6 CA PRO A 2 16.972 -26.150 -2.680 1.00 94.98 C

ATOM 7 C PRO A 2 15.937 -25.392 -3.503 1.00 94.84 C

ATOM 8 O PRO A 2 16.166 -25.080 -4.664 1.00 94.77 O

ATOM 9 CB PRO A 2 17.880 -25.189 -1.908 1.00 92.96 C

ATOM 10 CG PRO A 2 19.044 -24.995 -2.811 1.00 89.19 C

ATOM 11 CD PRO A 2 19.246 -26.314 -3.505 1.00 91.35 C

HETATM 12 N HYP A 3 14.878 -25.148 -2.931 1.00 93.06 N

HETATM 13 CA HYP A 3 13.776 -24.299 -3.534 1.00 91.55 C

HETATM 14 C HYP A 3 14.245 -22.889 -3.866 1.00 92.38 C

HETATM 15 O HYP A 3 15.125 -22.342 -3.182 1.00 93.93 O

HETATM 16 CB HYP A 3 12.747 -24.292 -2.412 1.00 92.59 C

HETATM 17 CG HYP A 3 13.028 -25.512 -1.533 1.00 90.16 C

HETATM 18 CD HYP A 3 14.564 -25.609 -1.576 1.00 93.01 C

HETATM 19 OD1 HYP A 3 12.478 -26.672 -2.098 1.00 92.76 O

ATOM 20 N GLY A 4 13.670 -22.303 -4.896 1.00 94.32 N

ATOM 21 CA GLY A 4 13.970 -20.938 -5.246 1.00 93.29 C

ATOM 22 C GLY A 4 13.363 -19.968 -4.244 1.00 93.31 C

ATOM 23 O GLY A 4 12.554 -20.350 -3.404 1.00 94.09 O

ATOM 24 N PRO A 5 13.740 -18.694 -4.337 1.00 94.42 N

ATOM 25 CA PRO A 5 13.212 -17.696 -3.405 1.00 94.88 C

ATOM 26 C PRO A 5 11.755 -17.366 -3.694 1.00 94.53 C

ATOM 27 O PRO A 5 11.278 -17.556 -4.804 1.00 94.63 O

ATOM 28 CB PRO A 5 14.117 -16.481 -3.636 1.00 93.23 C

ATOM 29 CG PRO A 5 14.525 -16.618 -5.063 1.00 90.97 C

ATOM 30 CD PRO A 5 14.675 -18.106 -5.291 1.00 93.23 C

HETATM 31 N HYP A 6 11.086 -16.896 -2.681 1.00 90.78 N

HETATM 32 CA HYP A 6 9.704 -16.365 -2.868 1.00 94.75 C

HETATM 33 C HYP A 6 9.662 -15.218 -3.837 1.00 89.48 C

HETATM 34 O HYP A 6 10.634 -14.450 -3.963 1.00 93.25 O

HETATM 35 CB HYP A 6 9.344 -15.886 -1.432 1.00 88.25 C

HETATM 36 CG HYP A 6 10.220 -16.663 -0.470 1.00 89.02 C

HETATM 37 CD HYP A 6 11.500 -16.826 -1.276 1.00 90.06 C

HETATM 38 OD1 HYP A 6 9.660 -17.940 -0.204 1.00 91.45 O

ATOM 39 N GLY A 7 8.534 -15.047 -4.534 1.00 95.01 N

ATOM 40 CA GLY A 7 8.344 -13.933 -5.434 1.00 94.56 C

ATOM 41 C GLY A 7 8.225 -12.627 -4.668 1.00 94.83 C

ATOM 42 O GLY A 7 8.110 -12.609 -3.441 1.00 95.01 O

ATOM 43 N PRO A 8 8.243 -11.501 -5.396 1.00 94.01 N

ATOM 44 CA PRO A 8 8.144 -10.196 -4.745 1.00 94.45 C

ATOM 45 C PRO A 8 6.754 -9.948 -4.177 1.00 94.31 C

ATOM 46 O PRO A 8 5.778 -10.549 -4.619 1.00 93.70 O

ATOM 47 CB PRO A 8 8.472 -9.206 -5.863 1.00 92.75 C

ATOM 48 CG PRO A 8 8.045 -9.925 -7.097 1.00 91.59 C

ATOM 49 CD PRO A 8 8.357 -11.380 -6.843 1.00 93.36 C

HETATM 50 N HYP A 9 6.657 -9.060 -3.208 1.00 90.95 N

HETATM 51 CA HYP A 9 5.380 -8.635 -2.644 1.00 93.27 C

HETATM 52 C HYP A 9 4.529 -7.970 -3.663 1.00 93.17 C

HETATM 53 O HYP A 9 5.018 -7.292 -4.584 1.00 92.28 O

HETATM 54 CB HYP A 9 5.841 -7.637 -1.534 1.00 89.55 C

HETATM 55 CG HYP A 9 7.263 -7.999 -1.201 1.00 87.86 C

HETATM 56 CD HYP A 9 7.795 -8.478 -2.503 1.00 90.18 C

HETATM 57 OD1 HYP A 9 7.292 -9.064 -0.259 1.00 89.38 O

ATOM 58 N GLY A 10 3.187 -8.099 -3.556 1.00 92.91 N

ATOM 59 CA GLY A 10 2.253 -7.437 -4.440 1.00 91.33 C

ATOM 60 C GLY A 10 2.253 -5.928 -4.230 1.00 91.67 C

ATOM 61 O GLY A 10 2.837 -5.403 -3.276 1.00 90.71 O

ATOM 62 N ASP A 11 1.571 -5.217 -5.149 1.00 93.75 N

ATOM 63 CA ASP A 11 1.496 -3.761 -5.073 1.00 94.64 C

ATOM 64 C ASP A 11 0.737 -3.314 -3.832 1.00 94.93 C

ATOM 65 O ASP A 11 -0.192 -3.971 -3.372 1.00 93.19 O

ATOM 66 CB ASP A 11 0.797 -3.195 -6.306 1.00 92.51 C

ATOM 67 CG ASP A 11 1.617 -3.323 -7.572 1.00 87.71 C

ATOM 68 OD1 ASP A 11 2.841 -3.524 -7.481 1.00 85.34 O

ATOM 69 OD2 ASP A 11 1.019 -3.215 -8.663 1.00 82.89 O

ATOM 70 N ARG A 12 1.132 -2.159 -3.292 1.00 93.64 N

ATOM 71 CA ARG A 12 0.419 -1.544 -2.184 1.00 93.43 C

ATOM 72 C ARG A 12 -0.979 -1.161 -2.650 1.00 93.54 C

ATOM 73 O ARG A 12 -1.174 -0.794 -3.812 1.00 90.97 O

ATOM 74 CB ARG A 12 1.185 -0.306 -1.691 1.00 89.17 C

ATOM 75 CG ARG A 12 0.600 0.323 -0.449 1.00 83.56 C

ATOM 76 CD ARG A 12 1.295 1.624 -0.108 1.00 80.89 C

ATOM 77 NE ARG A 12 2.716 1.442 0.161 1.00 75.93 N

ATOM 78 CZ ARG A 12 3.564 2.415 0.425 1.00 73.08 C

ATOM 79 NH1 ARG A 12 3.154 3.680 0.476 1.00 71.87 N

ATOM 80 NH2 ARG A 12 4.844 2.149 0.641 1.00 66.19 N

ATOM 81 N GLY A 13 -1.937 -1.257 -1.732 1.00 93.31 N

ATOM 82 CA GLY A 13 -3.292 -0.855 -2.058 1.00 91.72 C

ATOM 83 C GLY A 13 -3.405 0.636 -2.320 1.00 92.33 C

ATOM 84 O GLY A 13 -2.444 1.387 -2.118 1.00 92.48 O

ATOM 85 N PRO A 14 -4.580 1.093 -2.772 1.00 93.04 N

ATOM 86 CA PRO A 14 -4.772 2.509 -3.077 1.00 92.78 C

ATOM 87 C PRO A 14 -4.737 3.373 -1.822 1.00 92.60 C

ATOM 88 O PRO A 14 -4.950 2.890 -0.715 1.00 92.53 O

ATOM 89 CB PRO A 14 -6.142 2.561 -3.744 1.00 91.03 C

ATOM 90 CG PRO A 14 -6.856 1.369 -3.201 1.00 90.05 C

ATOM 91 CD PRO A 14 -5.796 0.316 -3.036 1.00 91.54 C

HETATM 92 N HYP A 15 -4.492 4.688 -1.991 1.00 86.98 N

HETATM 93 CA HYP A 15 -4.507 5.647 -0.930 1.00 84.57 C

HETATM 94 C HYP A 15 -5.877 5.711 -0.222 1.00 86.68 C