MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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HETATM 201 O HYP A 33 -3.865 -33.464 26.166 1.00 91.41 O
HETATM 202 CB HYP A 33 -6.697 -32.484 27.137 1.00 90.26 C
HETATM 203 CG HYP A 33 -7.750 -32.088 26.122 1.00 87.44 C
HETATM 204 CD HYP A 33 -6.923 -31.859 24.850 1.00 90.72 C
HETATM 205 OD1 HYP A 33 -8.369 -30.852 26.454 1.00 86.69 O
ATOM 206 N GLY A 34 -3.573 -32.411 28.125 1.00 86.40 N
ATOM 207 CA GLY A 34 -2.441 -33.208 28.507 1.00 84.27 C
ATOM 208 C GLY A 34 -2.850 -34.647 28.781 1.00 84.22 C
ATOM 209 O GLY A 34 -4.041 -34.965 28.852 1.00 82.51 O
ATOM 210 N PRO A 35 -1.866 -35.563 28.972 1.00 87.70 N
ATOM 211 CA PRO A 35 -2.186 -36.964 29.221 1.00 87.88 C
ATOM 212 C PRO A 35 -2.809 -37.151 30.596 1.00 87.42 C
ATOM 213 O PRO A 35 -2.539 -36.379 31.517 1.00 82.56 O
ATOM 214 CB PRO A 35 -0.839 -37.662 29.109 1.00 82.77 C
ATOM 215 CG PRO A 35 0.131 -36.606 29.514 1.00 80.15 C
ATOM 216 CD PRO A 35 -0.431 -35.323 28.953 1.00 83.04 C
HETATM 217 N HYP A 36 -3.578 -38.175 30.741 1.00 87.98 N
HETATM 218 CA HYP A 36 -4.143 -38.401 32.061 1.00 84.02 C
HETATM 219 C HYP A 36 -3.042 -38.820 33.048 1.00 84.46 C
HETATM 220 O HYP A 36 -2.236 -39.705 32.685 1.00 83.41 O
HETATM 221 CB HYP A 36 -5.115 -39.579 31.882 1.00 86.79 C
HETATM 222 CG HYP A 36 -5.381 -39.688 30.419 1.00 81.52 C
HETATM 223 CD HYP A 36 -4.130 -39.095 29.756 1.00 85.84 C
HETATM 224 OD1 HYP A 36 -6.488 -38.877 30.100 1.00 80.08 O
HETATM 225 OXT HYP A 36 -3.033 -38.170 34.102 1.00 79.09 O
TER 226 HYP A 36
END
ATOM 1 N GLY A 1 8.337 -30.133 -0.404 1.00 91.71 N
ATOM 2 CA GLY A 1 8.619 -29.193 0.677 1.00 93.91 C
ATOM 3 C GLY A 1 7.434 -28.291 0.949 1.00 94.52 C
ATOM 4 O GLY A 1 6.478 -28.281 0.180 1.00 92.73 O
ATOM 5 N PRO A 2 7.478 -27.506 2.018 1.00 95.34 N
ATOM 6 CA PRO A 2 6.375 -26.609 2.362 1.00 96.19 C
ATOM 7 C PRO A 2 6.266 -25.445 1.387 1.00 96.32 C
ATOM 8 O PRO A 2 7.244 -25.067 0.747 1.00 95.19 O
ATOM 9 CB PRO A 2 6.726 -26.124 3.769 1.00 94.83 C
ATOM 10 CG PRO A 2 8.216 -26.184 3.800 1.00 91.95 C
ATOM 11 CD PRO A 2 8.567 -27.411 2.989 1.00 93.80 C
HETATM 12 N HYP A 3 5.143 -24.963 1.274 1.00 95.35 N
HETATM 13 CA HYP A 3 4.873 -23.687 0.428 1.00 95.29 C
HETATM 14 C HYP A 3 5.688 -22.518 0.901 1.00 95.87 C
HETATM 15 O HYP A 3 5.977 -22.396 2.114 1.00 95.66 O
HETATM 16 CB HYP A 3 3.388 -23.492 0.680 1.00 94.07 C
HETATM 17 CG HYP A 3 2.786 -24.835 1.117 1.00 90.89 C
HETATM 18 CD HYP A 3 3.934 -25.474 1.926 1.00 93.07 C
HETATM 19 OD1 HYP A 3 2.494 -25.645 0.003 1.00 93.75 O
ATOM 20 N GLY A 4 6.055 -21.606 -0.026 1.00 96.40 N
ATOM 21 CA GLY A 4 6.788 -20.408 0.325 1.00 95.98 C
ATOM 22 C GLY A 4 5.903 -19.420 1.066 1.00 96.04 C
ATOM 23 O GLY A 4 4.680 -19.562 1.094 1.00 95.20 O
ATOM 24 N PRO A 5 6.513 -18.387 1.662 1.00 96.14 N
ATOM 25 CA PRO A 5 5.747 -17.374 2.400 1.00 96.05 C
ATOM 26 C PRO A 5 4.965 -16.469 1.460 1.00 95.90 C
ATOM 27 O PRO A 5 5.308 -16.331 0.287 1.00 94.84 O
ATOM 28 CB PRO A 5 6.823 -16.599 3.162 1.00 94.98 C
ATOM 29 CG PRO A 5 8.014 -16.704 2.274 1.00 93.29 C
ATOM 30 CD PRO A 5 7.945 -18.102 1.690 1.00 95.20 C
HETATM 31 N HYP A 6 3.920 -15.853 1.984 1.00 95.57 N
HETATM 32 CA HYP A 6 3.169 -14.830 1.199 1.00 95.19 C
HETATM 33 C HYP A 6 4.031 -13.671 0.815 1.00 95.38 C
HETATM 34 O HYP A 6 4.927 -13.274 1.592 1.00 94.04 O
HETATM 35 CB HYP A 6 2.038 -14.411 2.205 1.00 93.83 C
HETATM 36 CG HYP A 6 1.878 -15.571 3.200 1.00 93.06 C
HETATM 37 CD HYP A 6 3.287 -16.117 3.303 1.00 93.94 C
HETATM 38 OD1 HYP A 6 0.997 -16.546 2.686 1.00 93.54 O
ATOM 39 N GLY A 7 3.766 -13.062 -0.322 1.00 93.73 N
ATOM 40 CA GLY A 7 4.511 -11.909 -0.769 1.00 91.97 C
ATOM 41 C GLY A 7 4.273 -10.712 0.141 1.00 92.22 C
ATOM 42 O GLY A 7 3.335 -10.701 0.939 1.00 91.62 O
ATOM 43 N PRO A 8 5.103 -9.648 0.003 1.00 95.46 N
ATOM 44 CA PRO A 8 4.928 -8.457 0.835 1.00 94.82 C
ATOM 45 C PRO A 8 3.660 -7.697 0.463 1.00 95.02 C
ATOM 46 O PRO A 8 3.171 -7.777 -0.665 1.00 92.50 O
ATOM 47 CB PRO A 8 6.190 -7.632 0.553 1.00 93.03 C
ATOM 48 CG PRO A 8 6.558 -8.029 -0.836 1.00 91.92 C
ATOM 49 CD PRO A 8 6.228 -9.506 -0.914 1.00 94.61 C
ATOM 50 N LYS A 9 3.123 -6.941 1.429 1.00 92.87 N
ATOM 51 CA LYS A 9 1.937 -6.128 1.186 1.00 92.90 C
ATOM 52 C LYS A 9 2.298 -4.997 0.224 1.00 93.16 C
ATOM 53 O LYS A 9 3.372 -4.414 0.314 1.00 90.76 O
ATOM 54 CB LYS A 9 1.401 -5.571 2.515 1.00 88.64 C
ATOM 55 CG LYS A 9 0.102 -4.797 2.373 1.00 84.25 C
ATOM 56 CD LYS A 9 -0.435 -4.345 3.719 1.00 81.72 C
ATOM 57 CE LYS A 9 -1.744 -3.584 3.564 1.00 76.97 C
ATOM 58 NZ LYS A 9 -2.282 -3.153 4.872 1.00 73.13 N
ATOM 59 N GLY A 10 1.382 -4.707 -0.703 1.00 94.97 N
ATOM 60 CA GLY A 10 1.628 -3.648 -1.668 1.00 93.99 C
ATOM 61 C GLY A 10 1.678 -2.274 -1.035 1.00 94.31 C
ATOM 62 O GLY A 10 1.207 -2.065 0.084 1.00 92.42 O
ATOM 63 N ASP A 11 2.246 -1.304 -1.765 1.00 96.73 N
ATOM 64 CA ASP A 11 2.354 0.070 -1.284 1.00 97.00 C
ATOM 65 C ASP A 11 0.983 0.718 -1.218 1.00 97.23 C
ATOM 66 O ASP A 11 0.103 0.414 -2.020 1.00 96.06 O
ATOM 67 CB ASP A 11 3.253 0.891 -2.209 1.00 95.48 C
ATOM 68 CG ASP A 11 4.702 0.460 -2.180 1.00 91.25 C
ATOM 69 OD1 ASP A 11 5.108 -0.206 -1.213 1.00 88.26 O
ATOM 70 OD2 ASP A 11 5.428 0.816 -3.122 1.00 85.26 O
HETATM 71 N HYP A 12 0.789 1.666 -0.270 1.00 96.54 N
HETATM 72 CA HYP A 12 -0.458 2.449 -0.206 1.00 94.61 C
HETATM 73 C HYP A 12 -0.650 3.292 -1.452 1.00 96.67 C

HETATM 201 O HYP A 33 -3.865 -33.464 26.166 1.00 91.41 O

HETATM 202 CB HYP A 33 -6.697 -32.484 27.137 1.00 90.26 C

HETATM 203 CG HYP A 33 -7.750 -32.088 26.122 1.00 87.44 C

HETATM 204 CD HYP A 33 -6.923 -31.859 24.850 1.00 90.72 C

HETATM 205 OD1 HYP A 33 -8.369 -30.852 26.454 1.00 86.69 O

ATOM 206 N GLY A 34 -3.573 -32.411 28.125 1.00 86.40 N

ATOM 207 CA GLY A 34 -2.441 -33.208 28.507 1.00 84.27 C

ATOM 208 C GLY A 34 -2.850 -34.647 28.781 1.00 84.22 C

ATOM 209 O GLY A 34 -4.041 -34.965 28.852 1.00 82.51 O

ATOM 210 N PRO A 35 -1.866 -35.563 28.972 1.00 87.70 N

ATOM 211 CA PRO A 35 -2.186 -36.964 29.221 1.00 87.88 C

ATOM 212 C PRO A 35 -2.809 -37.151 30.596 1.00 87.42 C

ATOM 213 O PRO A 35 -2.539 -36.379 31.517 1.00 82.56 O

ATOM 214 CB PRO A 35 -0.839 -37.662 29.109 1.00 82.77 C

ATOM 215 CG PRO A 35 0.131 -36.606 29.514 1.00 80.15 C

ATOM 216 CD PRO A 35 -0.431 -35.323 28.953 1.00 83.04 C

HETATM 217 N HYP A 36 -3.578 -38.175 30.741 1.00 87.98 N

HETATM 218 CA HYP A 36 -4.143 -38.401 32.061 1.00 84.02 C

HETATM 219 C HYP A 36 -3.042 -38.820 33.048 1.00 84.46 C

HETATM 220 O HYP A 36 -2.236 -39.705 32.685 1.00 83.41 O

HETATM 221 CB HYP A 36 -5.115 -39.579 31.882 1.00 86.79 C

HETATM 222 CG HYP A 36 -5.381 -39.688 30.419 1.00 81.52 C

HETATM 223 CD HYP A 36 -4.130 -39.095 29.756 1.00 85.84 C

HETATM 224 OD1 HYP A 36 -6.488 -38.877 30.100 1.00 80.08 O

HETATM 225 OXT HYP A 36 -3.033 -38.170 34.102 1.00 79.09 O

TER 226 HYP A 36

END

ATOM 1 N GLY A 1 8.337 -30.133 -0.404 1.00 91.71 N

ATOM 2 CA GLY A 1 8.619 -29.193 0.677 1.00 93.91 C

ATOM 3 C GLY A 1 7.434 -28.291 0.949 1.00 94.52 C

ATOM 4 O GLY A 1 6.478 -28.281 0.180 1.00 92.73 O

ATOM 5 N PRO A 2 7.478 -27.506 2.018 1.00 95.34 N

ATOM 6 CA PRO A 2 6.375 -26.609 2.362 1.00 96.19 C

ATOM 7 C PRO A 2 6.266 -25.445 1.387 1.00 96.32 C

ATOM 8 O PRO A 2 7.244 -25.067 0.747 1.00 95.19 O

ATOM 9 CB PRO A 2 6.726 -26.124 3.769 1.00 94.83 C

ATOM 10 CG PRO A 2 8.216 -26.184 3.800 1.00 91.95 C

ATOM 11 CD PRO A 2 8.567 -27.411 2.989 1.00 93.80 C

HETATM 12 N HYP A 3 5.143 -24.963 1.274 1.00 95.35 N

HETATM 13 CA HYP A 3 4.873 -23.687 0.428 1.00 95.29 C

HETATM 14 C HYP A 3 5.688 -22.518 0.901 1.00 95.87 C

HETATM 15 O HYP A 3 5.977 -22.396 2.114 1.00 95.66 O

HETATM 16 CB HYP A 3 3.388 -23.492 0.680 1.00 94.07 C

HETATM 17 CG HYP A 3 2.786 -24.835 1.117 1.00 90.89 C

HETATM 18 CD HYP A 3 3.934 -25.474 1.926 1.00 93.07 C

HETATM 19 OD1 HYP A 3 2.494 -25.645 0.003 1.00 93.75 O

ATOM 20 N GLY A 4 6.055 -21.606 -0.026 1.00 96.40 N

ATOM 21 CA GLY A 4 6.788 -20.408 0.325 1.00 95.98 C

ATOM 22 C GLY A 4 5.903 -19.420 1.066 1.00 96.04 C

ATOM 23 O GLY A 4 4.680 -19.562 1.094 1.00 95.20 O

ATOM 24 N PRO A 5 6.513 -18.387 1.662 1.00 96.14 N

ATOM 25 CA PRO A 5 5.747 -17.374 2.400 1.00 96.05 C

ATOM 26 C PRO A 5 4.965 -16.469 1.460 1.00 95.90 C

ATOM 27 O PRO A 5 5.308 -16.331 0.287 1.00 94.84 O

ATOM 28 CB PRO A 5 6.823 -16.599 3.162 1.00 94.98 C

ATOM 29 CG PRO A 5 8.014 -16.704 2.274 1.00 93.29 C

ATOM 30 CD PRO A 5 7.945 -18.102 1.690 1.00 95.20 C

HETATM 31 N HYP A 6 3.920 -15.853 1.984 1.00 95.57 N

HETATM 32 CA HYP A 6 3.169 -14.830 1.199 1.00 95.19 C

HETATM 33 C HYP A 6 4.031 -13.671 0.815 1.00 95.38 C

HETATM 34 O HYP A 6 4.927 -13.274 1.592 1.00 94.04 O

HETATM 35 CB HYP A 6 2.038 -14.411 2.205 1.00 93.83 C

HETATM 36 CG HYP A 6 1.878 -15.571 3.200 1.00 93.06 C

HETATM 37 CD HYP A 6 3.287 -16.117 3.303 1.00 93.94 C

HETATM 38 OD1 HYP A 6 0.997 -16.546 2.686 1.00 93.54 O

ATOM 39 N GLY A 7 3.766 -13.062 -0.322 1.00 93.73 N

ATOM 40 CA GLY A 7 4.511 -11.909 -0.769 1.00 91.97 C

ATOM 41 C GLY A 7 4.273 -10.712 0.141 1.00 92.22 C

ATOM 42 O GLY A 7 3.335 -10.701 0.939 1.00 91.62 O

ATOM 43 N PRO A 8 5.103 -9.648 0.003 1.00 95.46 N

ATOM 44 CA PRO A 8 4.928 -8.457 0.835 1.00 94.82 C

ATOM 45 C PRO A 8 3.660 -7.697 0.463 1.00 95.02 C

ATOM 46 O PRO A 8 3.171 -7.777 -0.665 1.00 92.50 O

ATOM 47 CB PRO A 8 6.190 -7.632 0.553 1.00 93.03 C

ATOM 48 CG PRO A 8 6.558 -8.029 -0.836 1.00 91.92 C

ATOM 49 CD PRO A 8 6.228 -9.506 -0.914 1.00 94.61 C

ATOM 50 N LYS A 9 3.123 -6.941 1.429 1.00 92.87 N

ATOM 51 CA LYS A 9 1.937 -6.128 1.186 1.00 92.90 C

ATOM 52 C LYS A 9 2.298 -4.997 0.224 1.00 93.16 C

ATOM 53 O LYS A 9 3.372 -4.414 0.314 1.00 90.76 O

ATOM 54 CB LYS A 9 1.401 -5.571 2.515 1.00 88.64 C

ATOM 55 CG LYS A 9 0.102 -4.797 2.373 1.00 84.25 C

ATOM 56 CD LYS A 9 -0.435 -4.345 3.719 1.00 81.72 C

ATOM 57 CE LYS A 9 -1.744 -3.584 3.564 1.00 76.97 C

ATOM 58 NZ LYS A 9 -2.282 -3.153 4.872 1.00 73.13 N

ATOM 59 N GLY A 10 1.382 -4.707 -0.703 1.00 94.97 N

ATOM 60 CA GLY A 10 1.628 -3.648 -1.668 1.00 93.99 C

ATOM 61 C GLY A 10 1.678 -2.274 -1.035 1.00 94.31 C

ATOM 62 O GLY A 10 1.207 -2.065 0.084 1.00 92.42 O

ATOM 63 N ASP A 11 2.246 -1.304 -1.765 1.00 96.73 N

ATOM 64 CA ASP A 11 2.354 0.070 -1.284 1.00 97.00 C

ATOM 65 C ASP A 11 0.983 0.718 -1.218 1.00 97.23 C

ATOM 66 O ASP A 11 0.103 0.414 -2.020 1.00 96.06 O

ATOM 67 CB ASP A 11 3.253 0.891 -2.209 1.00 95.48 C

ATOM 68 CG ASP A 11 4.702 0.460 -2.180 1.00 91.25 C

ATOM 69 OD1 ASP A 11 5.108 -0.206 -1.213 1.00 88.26 O

ATOM 70 OD2 ASP A 11 5.428 0.816 -3.122 1.00 85.26 O

HETATM 71 N HYP A 12 0.789 1.666 -0.270 1.00 96.54 N

HETATM 72 CA HYP A 12 -0.458 2.449 -0.206 1.00 94.61 C

HETATM 73 C HYP A 12 -0.650 3.292 -1.452 1.00 96.67 C