MaxwellBauer/Archive_CollaGNN_Database · Datasets at Hugging Face

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ATOM 136 O GLY A 22 -2.271 -6.429 14.710 1.00 65.34 O
ATOM 137 N PRO A 23 -3.049 -4.716 15.923 1.00 66.91 N
ATOM 138 CA PRO A 23 -2.631 -5.333 17.173 1.00 72.46 C
ATOM 139 C PRO A 23 -3.361 -6.633 17.427 1.00 71.53 C
ATOM 140 O PRO A 23 -4.485 -6.818 16.965 1.00 70.14 O
ATOM 141 CB PRO A 23 -3.015 -4.294 18.231 1.00 68.48 C
ATOM 142 CG PRO A 23 -3.178 -3.033 17.478 1.00 63.32 C
ATOM 143 CD PRO A 23 -3.672 -3.422 16.126 1.00 64.42 C
HETATM 144 N HYP A 24 -2.820 -7.502 18.190 1.00 74.27 N
HETATM 145 CA HYP A 24 -3.512 -8.708 18.523 1.00 67.22 C
HETATM 146 C HYP A 24 -4.820 -8.427 19.217 1.00 64.49 C
HETATM 147 O HYP A 24 -4.989 -7.271 19.624 1.00 69.57 O
HETATM 148 CB HYP A 24 -2.537 -9.396 19.485 1.00 68.81 C
HETATM 149 CG HYP A 24 -1.199 -8.808 19.179 1.00 71.28 C
HETATM 150 CD HYP A 24 -1.525 -7.390 18.760 1.00 71.00 C
HETATM 151 OD1 HYP A 24 -0.624 -9.484 18.075 1.00 71.31 O
HETATM 152 OXT HYP A 24 -5.630 -9.359 19.395 1.00 67.50 O
TER 153 HYP A 24
END
ATOM 1 N GLY A 1 -3.831 -4.125 7.926 1.00 69.04 N
ATOM 2 CA GLY A 1 -3.954 -2.687 7.733 1.00 71.23 C
ATOM 3 C GLY A 1 -4.462 -2.355 6.352 1.00 72.33 C
ATOM 4 O GLY A 1 -4.694 -3.248 5.539 1.00 69.15 O
ATOM 5 N PRO A 2 -4.629 -1.078 6.068 1.00 72.04 N
ATOM 6 CA PRO A 2 -5.161 -0.660 4.780 1.00 73.88 C
ATOM 7 C PRO A 2 -4.154 -0.830 3.654 1.00 74.23 C
ATOM 8 O PRO A 2 -2.951 -0.893 3.882 1.00 72.61 O
ATOM 9 CB PRO A 2 -5.483 0.818 4.995 1.00 71.41 C
ATOM 10 CG PRO A 2 -4.500 1.245 6.021 1.00 67.12 C
ATOM 11 CD PRO A 2 -4.343 0.066 6.935 1.00 65.65 C
HETATM 12 N HYP A 3 -4.638 -0.917 2.476 1.00 75.37 N
HETATM 13 CA HYP A 3 -3.822 -0.934 1.305 1.00 77.46 C
HETATM 14 C HYP A 3 -2.952 0.281 1.156 1.00 78.28 C
HETATM 15 O HYP A 3 -3.343 1.382 1.630 1.00 79.14 O
HETATM 16 CB HYP A 3 -4.842 -1.101 0.184 1.00 75.37 C
HETATM 17 CG HYP A 3 -5.976 -1.826 0.853 1.00 72.06 C
HETATM 18 CD HYP A 3 -6.024 -1.139 2.206 1.00 75.66 C
HETATM 19 OD1 HYP A 3 -5.690 -3.184 1.040 1.00 74.45 O
ATOM 20 N GLY A 4 -1.797 0.136 0.627 1.00 80.00 N
ATOM 21 CA GLY A 4 -0.922 1.258 0.400 1.00 77.95 C
ATOM 22 C GLY A 4 -1.482 2.197 -0.648 1.00 77.41 C
ATOM 23 O GLY A 4 -2.510 1.927 -1.274 1.00 74.99 O
ATOM 24 N PRO A 5 -0.802 3.302 -0.860 1.00 76.44 N
ATOM 25 CA PRO A 5 -1.260 4.287 -1.826 1.00 74.66 C
ATOM 26 C PRO A 5 -1.025 3.823 -3.256 1.00 74.64 C
ATOM 27 O PRO A 5 -0.239 2.924 -3.512 1.00 72.53 O
ATOM 28 CB PRO A 5 -0.409 5.510 -1.492 1.00 71.12 C
ATOM 29 CG PRO A 5 0.853 4.924 -0.968 1.00 68.25 C
ATOM 30 CD PRO A 5 0.434 3.705 -0.198 1.00 68.16 C
HETATM 31 N HYP A 6 -1.699 4.447 -4.186 1.00 73.88 N
HETATM 32 CA HYP A 6 -1.459 4.233 -5.565 1.00 76.08 C
HETATM 33 C HYP A 6 -0.046 4.494 -5.980 1.00 75.37 C
HETATM 34 O HYP A 6 0.620 5.297 -5.332 1.00 74.60 O
HETATM 35 CB HYP A 6 -2.504 5.135 -6.211 1.00 72.38 C
HETATM 36 CG HYP A 6 -3.640 5.164 -5.200 1.00 69.96 C
HETATM 37 CD HYP A 6 -2.885 5.244 -3.916 1.00 74.13 C
HETATM 38 OD1 HYP A 6 -4.411 3.979 -5.221 1.00 69.29 O
ATOM 39 N GLY A 7 0.405 3.829 -6.991 1.00 73.52 N
ATOM 40 CA GLY A 7 1.746 3.998 -7.473 1.00 71.95 C
ATOM 41 C GLY A 7 1.997 5.399 -7.994 1.00 71.90 C
ATOM 42 O GLY A 7 1.089 6.228 -8.065 1.00 69.93 O
ATOM 43 N PRO A 8 3.236 5.664 -8.386 1.00 73.04 N
ATOM 44 CA PRO A 8 3.613 6.990 -8.841 1.00 73.95 C
ATOM 45 C PRO A 8 3.037 7.328 -10.205 1.00 73.82 C
ATOM 46 O PRO A 8 2.665 6.454 -10.982 1.00 72.15 O
ATOM 47 CB PRO A 8 5.135 6.924 -8.878 1.00 71.05 C
ATOM 48 CG PRO A 8 5.420 5.493 -9.153 1.00 70.14 C
ATOM 49 CD PRO A 8 4.358 4.735 -8.405 1.00 70.60 C
HETATM 50 N HYP A 9 3.010 8.597 -10.472 1.00 74.67 N
HETATM 51 CA HYP A 9 2.628 9.105 -11.734 1.00 75.17 C
HETATM 52 C HYP A 9 3.430 8.562 -12.842 1.00 76.38 C
HETATM 53 O HYP A 9 4.475 8.001 -12.622 1.00 76.64 O
HETATM 54 CB HYP A 9 2.541 10.553 -11.652 1.00 75.41 C
HETATM 55 CG HYP A 9 2.383 10.817 -10.200 1.00 69.99 C
HETATM 56 CD HYP A 9 3.137 9.685 -9.559 1.00 74.21 C
HETATM 57 OD1 HYP A 9 1.027 10.710 -9.813 1.00 70.63 O
ATOM 58 N GLY A 10 3.103 8.795 -14.043 1.00 76.61 N
ATOM 59 CA GLY A 10 3.855 8.440 -15.216 1.00 74.85 C
ATOM 60 C GLY A 10 3.453 7.114 -15.812 1.00 73.54 C
ATOM 61 O GLY A 10 3.592 6.920 -17.021 1.00 70.61 O
ATOM 62 N SER A 11 2.949 6.224 -15.019 1.00 75.63 N
ATOM 63 CA SER A 11 2.522 4.923 -15.512 1.00 74.57 C
ATOM 64 C SER A 11 1.570 4.253 -14.525 1.00 74.81 C
ATOM 65 O SER A 11 1.676 3.071 -14.253 1.00 71.40 O
ATOM 66 CB SER A 11 3.733 4.031 -15.770 1.00 69.37 C
ATOM 67 OG SER A 11 3.344 2.832 -16.399 1.00 63.65 O
HETATM 68 N HYP A 12 0.639 4.876 -14.026 1.00 74.00 N
HETATM 69 CA HYP A 12 -0.102 4.522 -12.855 1.00 74.42 C
HETATM 70 C HYP A 12 0.301 3.207 -12.245 1.00 79.02 C
HETATM 71 O HYP A 12 0.118 2.131 -12.860 1.00 76.58 O
HETATM 72 CB HYP A 12 -1.550 4.697 -13.157 1.00 72.29 C
HETATM 73 CG HYP A 12 -1.512 5.640 -14.336 1.00 70.32 C
HETATM 74 CD HYP A 12 -0.285 5.186 -15.086 1.00 74.85 C
HETATM 75 OD1 HYP A 12 -1.329 6.971 -13.956 1.00 71.44 O
ATOM 76 N GLY A 13 0.907 3.295 -11.143 1.00 78.40 N
ATOM 77 CA GLY A 13 1.284 2.095 -10.439 1.00 77.17 C
ATOM 78 C GLY A 13 0.097 1.476 -9.730 1.00 77.71 C
ATOM 79 O GLY A 13 -0.955 2.106 -9.586 1.00 75.74 O
ATOM 80 N PRO A 14 0.258 0.255 -9.277 1.00 77.31 N
ATOM 81 CA PRO A 14 -0.814 -0.406 -8.544 1.00 76.98 C

ATOM 136 O GLY A 22 -2.271 -6.429 14.710 1.00 65.34 O

ATOM 137 N PRO A 23 -3.049 -4.716 15.923 1.00 66.91 N

ATOM 138 CA PRO A 23 -2.631 -5.333 17.173 1.00 72.46 C

ATOM 139 C PRO A 23 -3.361 -6.633 17.427 1.00 71.53 C

ATOM 140 O PRO A 23 -4.485 -6.818 16.965 1.00 70.14 O

ATOM 141 CB PRO A 23 -3.015 -4.294 18.231 1.00 68.48 C

ATOM 142 CG PRO A 23 -3.178 -3.033 17.478 1.00 63.32 C

ATOM 143 CD PRO A 23 -3.672 -3.422 16.126 1.00 64.42 C

HETATM 144 N HYP A 24 -2.820 -7.502 18.190 1.00 74.27 N

HETATM 145 CA HYP A 24 -3.512 -8.708 18.523 1.00 67.22 C

HETATM 146 C HYP A 24 -4.820 -8.427 19.217 1.00 64.49 C

HETATM 147 O HYP A 24 -4.989 -7.271 19.624 1.00 69.57 O

HETATM 148 CB HYP A 24 -2.537 -9.396 19.485 1.00 68.81 C

HETATM 149 CG HYP A 24 -1.199 -8.808 19.179 1.00 71.28 C

HETATM 150 CD HYP A 24 -1.525 -7.390 18.760 1.00 71.00 C

HETATM 151 OD1 HYP A 24 -0.624 -9.484 18.075 1.00 71.31 O

HETATM 152 OXT HYP A 24 -5.630 -9.359 19.395 1.00 67.50 O

TER 153 HYP A 24

END

ATOM 1 N GLY A 1 -3.831 -4.125 7.926 1.00 69.04 N

ATOM 2 CA GLY A 1 -3.954 -2.687 7.733 1.00 71.23 C

ATOM 3 C GLY A 1 -4.462 -2.355 6.352 1.00 72.33 C

ATOM 4 O GLY A 1 -4.694 -3.248 5.539 1.00 69.15 O

ATOM 5 N PRO A 2 -4.629 -1.078 6.068 1.00 72.04 N

ATOM 6 CA PRO A 2 -5.161 -0.660 4.780 1.00 73.88 C

ATOM 7 C PRO A 2 -4.154 -0.830 3.654 1.00 74.23 C

ATOM 8 O PRO A 2 -2.951 -0.893 3.882 1.00 72.61 O

ATOM 9 CB PRO A 2 -5.483 0.818 4.995 1.00 71.41 C

ATOM 10 CG PRO A 2 -4.500 1.245 6.021 1.00 67.12 C

ATOM 11 CD PRO A 2 -4.343 0.066 6.935 1.00 65.65 C

HETATM 12 N HYP A 3 -4.638 -0.917 2.476 1.00 75.37 N

HETATM 13 CA HYP A 3 -3.822 -0.934 1.305 1.00 77.46 C

HETATM 14 C HYP A 3 -2.952 0.281 1.156 1.00 78.28 C

HETATM 15 O HYP A 3 -3.343 1.382 1.630 1.00 79.14 O

HETATM 16 CB HYP A 3 -4.842 -1.101 0.184 1.00 75.37 C

HETATM 17 CG HYP A 3 -5.976 -1.826 0.853 1.00 72.06 C

HETATM 18 CD HYP A 3 -6.024 -1.139 2.206 1.00 75.66 C

HETATM 19 OD1 HYP A 3 -5.690 -3.184 1.040 1.00 74.45 O

ATOM 20 N GLY A 4 -1.797 0.136 0.627 1.00 80.00 N

ATOM 21 CA GLY A 4 -0.922 1.258 0.400 1.00 77.95 C

ATOM 22 C GLY A 4 -1.482 2.197 -0.648 1.00 77.41 C

ATOM 23 O GLY A 4 -2.510 1.927 -1.274 1.00 74.99 O

ATOM 24 N PRO A 5 -0.802 3.302 -0.860 1.00 76.44 N

ATOM 25 CA PRO A 5 -1.260 4.287 -1.826 1.00 74.66 C

ATOM 26 C PRO A 5 -1.025 3.823 -3.256 1.00 74.64 C

ATOM 27 O PRO A 5 -0.239 2.924 -3.512 1.00 72.53 O

ATOM 28 CB PRO A 5 -0.409 5.510 -1.492 1.00 71.12 C

ATOM 29 CG PRO A 5 0.853 4.924 -0.968 1.00 68.25 C

ATOM 30 CD PRO A 5 0.434 3.705 -0.198 1.00 68.16 C

HETATM 31 N HYP A 6 -1.699 4.447 -4.186 1.00 73.88 N

HETATM 32 CA HYP A 6 -1.459 4.233 -5.565 1.00 76.08 C

HETATM 33 C HYP A 6 -0.046 4.494 -5.980 1.00 75.37 C

HETATM 34 O HYP A 6 0.620 5.297 -5.332 1.00 74.60 O

HETATM 35 CB HYP A 6 -2.504 5.135 -6.211 1.00 72.38 C

HETATM 36 CG HYP A 6 -3.640 5.164 -5.200 1.00 69.96 C

HETATM 37 CD HYP A 6 -2.885 5.244 -3.916 1.00 74.13 C

HETATM 38 OD1 HYP A 6 -4.411 3.979 -5.221 1.00 69.29 O

ATOM 39 N GLY A 7 0.405 3.829 -6.991 1.00 73.52 N

ATOM 40 CA GLY A 7 1.746 3.998 -7.473 1.00 71.95 C

ATOM 41 C GLY A 7 1.997 5.399 -7.994 1.00 71.90 C

ATOM 42 O GLY A 7 1.089 6.228 -8.065 1.00 69.93 O

ATOM 43 N PRO A 8 3.236 5.664 -8.386 1.00 73.04 N

ATOM 44 CA PRO A 8 3.613 6.990 -8.841 1.00 73.95 C

ATOM 45 C PRO A 8 3.037 7.328 -10.205 1.00 73.82 C

ATOM 46 O PRO A 8 2.665 6.454 -10.982 1.00 72.15 O

ATOM 47 CB PRO A 8 5.135 6.924 -8.878 1.00 71.05 C

ATOM 48 CG PRO A 8 5.420 5.493 -9.153 1.00 70.14 C

ATOM 49 CD PRO A 8 4.358 4.735 -8.405 1.00 70.60 C

HETATM 50 N HYP A 9 3.010 8.597 -10.472 1.00 74.67 N

HETATM 51 CA HYP A 9 2.628 9.105 -11.734 1.00 75.17 C

HETATM 52 C HYP A 9 3.430 8.562 -12.842 1.00 76.38 C

HETATM 53 O HYP A 9 4.475 8.001 -12.622 1.00 76.64 O

HETATM 54 CB HYP A 9 2.541 10.553 -11.652 1.00 75.41 C

HETATM 55 CG HYP A 9 2.383 10.817 -10.200 1.00 69.99 C

HETATM 56 CD HYP A 9 3.137 9.685 -9.559 1.00 74.21 C

HETATM 57 OD1 HYP A 9 1.027 10.710 -9.813 1.00 70.63 O

ATOM 58 N GLY A 10 3.103 8.795 -14.043 1.00 76.61 N

ATOM 59 CA GLY A 10 3.855 8.440 -15.216 1.00 74.85 C

ATOM 60 C GLY A 10 3.453 7.114 -15.812 1.00 73.54 C

ATOM 61 O GLY A 10 3.592 6.920 -17.021 1.00 70.61 O

ATOM 62 N SER A 11 2.949 6.224 -15.019 1.00 75.63 N

ATOM 63 CA SER A 11 2.522 4.923 -15.512 1.00 74.57 C

ATOM 64 C SER A 11 1.570 4.253 -14.525 1.00 74.81 C

ATOM 65 O SER A 11 1.676 3.071 -14.253 1.00 71.40 O

ATOM 66 CB SER A 11 3.733 4.031 -15.770 1.00 69.37 C

ATOM 67 OG SER A 11 3.344 2.832 -16.399 1.00 63.65 O

HETATM 68 N HYP A 12 0.639 4.876 -14.026 1.00 74.00 N

HETATM 69 CA HYP A 12 -0.102 4.522 -12.855 1.00 74.42 C

HETATM 70 C HYP A 12 0.301 3.207 -12.245 1.00 79.02 C

HETATM 71 O HYP A 12 0.118 2.131 -12.860 1.00 76.58 O

HETATM 72 CB HYP A 12 -1.550 4.697 -13.157 1.00 72.29 C

HETATM 73 CG HYP A 12 -1.512 5.640 -14.336 1.00 70.32 C

HETATM 74 CD HYP A 12 -0.285 5.186 -15.086 1.00 74.85 C

HETATM 75 OD1 HYP A 12 -1.329 6.971 -13.956 1.00 71.44 O

ATOM 76 N GLY A 13 0.907 3.295 -11.143 1.00 78.40 N

ATOM 77 CA GLY A 13 1.284 2.095 -10.439 1.00 77.17 C

ATOM 78 C GLY A 13 0.097 1.476 -9.730 1.00 77.71 C

ATOM 79 O GLY A 13 -0.955 2.106 -9.586 1.00 75.74 O

ATOM 80 N PRO A 14 0.258 0.255 -9.277 1.00 77.31 N

ATOM 81 CA PRO A 14 -0.814 -0.406 -8.544 1.00 76.98 C