cg-schnet / structures /cln_5beads.pdb
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Add pre-trained CGSchNet model, protein configurations, and PDB structures
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MODEL 0
ATOM 0 N TYR A 2 2.155 -4.622 -3.559 1.00 0.00 N
ATOM 1 CA TYR A 2 2.760 -3.479 -2.934 1.00 0.00 C
ATOM 2 CB TYR A 2 3.239 -2.394 -3.993 1.00 0.00 C
ATOM 3 C TYR A 2 1.877 -2.840 -1.791 1.00 0.00 C
ATOM 4 O TYR A 2 0.665 -3.015 -1.755 1.00 0.00 O
ATOM 5 N TYR A 3 2.555 -2.149 -0.770 1.00 0.00 N
ATOM 6 CA TYR A 3 1.933 -1.500 0.410 1.00 0.00 C
ATOM 7 CB TYR A 3 2.781 -1.910 1.599 1.00 0.00 C
ATOM 8 C TYR A 3 1.970 0.060 0.259 1.00 0.00 C
ATOM 9 O TYR A 3 2.911 0.613 -0.262 1.00 0.00 O
ATOM 10 N ASP A 4 0.885 0.806 0.625 1.00 0.00 N
ATOM 11 CA ASP A 4 0.830 2.317 0.805 1.00 0.00 C
ATOM 12 CB ASP A 4 -0.177 3.128 -0.064 1.00 0.00 C
ATOM 13 C ASP A 4 0.782 2.765 2.239 1.00 0.00 C
ATOM 14 O ASP A 4 -0.325 2.792 2.837 1.00 0.00 O
ATOM 15 N PRO A 5 1.905 3.224 2.857 1.00 0.00 N
ATOM 16 CA PRO A 5 1.929 3.580 4.245 1.00 0.00 C
ATOM 17 CB PRO A 5 3.452 3.616 4.561 1.00 0.00 C
ATOM 18 C PRO A 5 1.045 4.902 4.507 1.00 0.00 C
ATOM 19 O PRO A 5 0.754 5.065 5.654 1.00 0.00 O
ATOM 20 N GLU A 6 0.755 5.760 3.575 1.00 0.00 N
ATOM 21 CA GLU A 6 -0.133 6.904 3.719 1.00 0.00 C
ATOM 22 CB GLU A 6 0.054 7.756 2.484 1.00 0.00 C
ATOM 23 C GLU A 6 -1.597 6.609 3.914 1.00 0.00 C
ATOM 24 O GLU A 6 -2.334 7.407 4.499 1.00 0.00 O
ATOM 25 N THR A 7 -2.030 5.478 3.335 1.00 0.00 N
ATOM 26 CA THR A 7 -3.446 4.979 3.269 1.00 0.00 C
ATOM 27 CB THR A 7 -3.836 4.894 1.772 1.00 0.00 C
ATOM 28 C THR A 7 -3.631 3.727 4.109 1.00 0.00 C
ATOM 29 O THR A 7 -4.791 3.367 4.449 1.00 0.00 O
ATOM 30 N GLY A 8 -2.608 2.972 4.517 1.00 0.00 N
ATOM 31 CA GLY A 8 -2.660 1.700 5.235 1.00 0.00 C
ATOM 32 C GLY A 8 -3.125 0.526 4.377 1.00 0.00 C
ATOM 33 O GLY A 8 -3.642 -0.436 4.999 1.00 0.00 O
ATOM 34 N THR A 9 -3.012 0.577 3.033 1.00 0.00 N
ATOM 35 CA THR A 9 -3.607 -0.404 2.043 1.00 0.00 C
ATOM 36 CB THR A 9 -4.478 0.473 1.119 1.00 0.00 C
ATOM 37 C THR A 9 -2.522 -1.104 1.158 1.00 0.00 C
ATOM 38 O THR A 9 -1.649 -0.471 0.639 1.00 0.00 O
ATOM 39 N TRP A 10 -2.750 -2.412 0.954 1.00 0.00 N
ATOM 40 CA TRP A 10 -2.197 -3.223 -0.185 1.00 0.00 C
ATOM 41 CB TRP A 10 -2.529 -4.722 -0.079 1.00 0.00 C
ATOM 42 C TRP A 10 -2.848 -2.737 -1.505 1.00 0.00 C
ATOM 43 O TRP A 10 -4.085 -2.603 -1.513 1.00 0.00 O
ATOM 44 N TYR A 11 -2.000 -2.498 -2.501 1.00 0.00 N
ATOM 45 CA TYR A 11 -2.343 -2.017 -3.821 1.00 0.00 C
ATOM 46 CB TYR A 11 -2.189 -0.509 -3.887 1.00 0.00 C
ATOM 47 C TYR A 11 -1.536 -2.690 -4.961 1.00 0.00 C
ATOM 48 O TYR A 11 -0.472 -3.293 -4.694 1.00 0.00 O
TER 49 TYR A 11
ENDMDL
END