data_4pre_1 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . HIS A ? 1 ? -51.933 59.344 63.948 1.0 11.5 1 C 1 ATOM 2 C CA . HIS A ? 1 ? -51.183 60.450 63.342 1.0 13.9 1 C 1 ATOM 3 C C . HIS A ? 1 ? -49.723 60.335 63.784 1.0 11.31 1 C 1 ATOM 4 O O . HIS A ? 1 ? -49.449 60.134 64.962 1.0 12.17 1 C 1 ATOM 5 C CB . HIS A ? 1 ? -51.758 61.788 63.831 1.0 12.14 1 C 1 ATOM 6 C CG . HIS A ? 1 ? -51.330 62.980 63.027 1.0 13.64 1 C 1 ATOM 7 C CD2 . HIS A ? 1 ? -52.039 63.817 62.233 1.0 19.37 1 C 1 ATOM 8 N ND1 . HIS A ? 1 ? -50.032 63.449 63.016 1.0 17.25 1 C 1 ATOM 9 C CE1 . HIS A ? 1 ? -49.959 64.514 62.235 1.0 17.16 1 C 1 ATOM 10 N NE2 . HIS A ? 1 ? -51.164 64.760 61.750 1.0 21.51 1 C 1 ATOM 11 N N . PRO A ? 2 ? -48.782 60.468 62.843 1.0 11.44 2 C 1 ATOM 12 C CA . PRO A ? 2 ? -47.367 60.344 63.208 1.0 7.91 2 C 1 ATOM 13 C C . PRO A ? 2 ? -46.872 61.553 63.988 1.0 12.81 2 C 1 ATOM 14 O O . PRO A ? 2 ? -47.512 62.601 63.968 1.0 12.99 2 C 1 ATOM 15 C CB . PRO A ? 2 ? -46.666 60.288 61.845 1.0 11.39 2 C 1 ATOM 16 C CG . PRO A ? 2 ? -47.572 61.060 60.934 1.0 12.6 2 C 1 ATOM 17 C CD . PRO A ? 2 ? -48.969 60.711 61.400 1.0 9.84 2 C 1 ATOM 18 N N . VAL A ? 3 ? -45.740 61.404 64.670 1.0 9.66 3 C 1 ATOM 19 C CA . VAL A ? 3 ? -45.109 62.540 65.327 1.0 9.55 3 C 1 ATOM 20 C C . VAL A ? 3 ? -44.471 63.453 64.278 1.0 13.14 3 C 1 ATOM 21 O O . VAL A ? 3 ? -44.073 63.000 63.204 1.0 13.61 3 C 1 ATOM 22 C CB . VAL A ? 3 ? -44.088 62.080 66.387 1.0 11.87 3 C 1 ATOM 23 C CG1 . VAL A ? 3 ? -42.916 61.327 65.758 1.0 13.16 3 C 1 ATOM 24 C CG2 . VAL A ? 3 ? -43.597 63.269 67.217 1.0 18.75 3 C 1 ATOM 25 N N . GLY A ? 4 ? -44.411 64.745 64.578 1.0 16.03 4 C 1 ATOM 26 C CA . GLY A ? 4 ? -43.890 65.711 63.631 1.0 19.69 4 C 1 ATOM 27 C C . GLY A ? 4 ? -42.539 66.239 64.052 1.0 20.02 4 C 1 ATOM 28 O O . GLY A ? 4 ? -41.512 65.584 63.870 1.0 20.96 4 C 1 ATOM 29 N N . GLN A ? 5 ? -42.551 67.426 64.650 1.0 34.16 5 C 1 ATOM 30 C CA . GLN A ? 5 ? -41.329 68.155 64.980 1.0 32.88 5 C 1 ATOM 31 C C . GLN A ? 5 ? -40.342 67.393 65.880 1.0 26.49 5 C 1 ATOM 32 O O . GLN A ? 5 ? -39.131 67.630 65.811 1.0 33.15 5 C 1 ATOM 33 C CB . GLN A ? 5 ? -41.693 69.509 65.595 1.0 32.84 5 C 1 ATOM 34 C CG . GLN A ? 5 ? -42.922 70.139 64.945 0.5 40.88 5 C 1 ATOM 35 C CD . GLN A ? 5 ? -43.286 71.487 65.535 0.5 55.13 5 C 1 ATOM 36 N NE2 . GLN A ? 5 ? -42.409 72.467 65.358 0.5 49.72 5 C 1 ATOM 37 O OE1 . GLN A ? 5 ? -44.350 71.650 66.133 0.5 64.46 5 C 1 ATOM 38 N N . ALA A ? 6 ? -40.846 66.478 66.711 1.0 24.23 6 C 1 ATOM 39 C CA . ALA A ? 6 ? -39.977 65.738 67.632 1.0 18.59 6 C 1 ATOM 40 C C . ALA A ? 6 ? -39.023 64.818 66.874 1.0 23.97 6 C 1 ATOM 41 O O . ALA A ? 6 ? -38.072 64.277 67.446 1.0 25.56 6 C 1 ATOM 42 C CB . ALA A ? 6 ? -40.803 64.948 68.663 1.0 18.37 6 C 1 ATOM 43 N N . ASP A ? 7 ? -39.275 64.663 65.576 1.0 24.15 7 C 1 ATOM 44 C CA . ASP A ? 7 ? -38.422 63.858 64.710 1.0 22.93 7 C 1 ATOM 45 C C . ASP A ? 7 ? -37.459 64.700 63.866 1.0 32.27 7 C 1 ATOM 46 O O . ASP A ? 7 ? -36.831 64.183 62.942 1.0 29.37 7 C 1 ATOM 47 C CB . ASP A ? 7 ? -39.276 63.003 63.780 1.0 16.24 7 C 1 ATOM 48 C CG . ASP A ? 7 ? -39.510 61.625 64.326 1.0 19.64 7 C 1 ATOM 49 O OD1 . ASP A ? 7 ? -38.945 61.314 65.404 1.0 20.06 7 C 1 ATOM 50 O OD2 . ASP A ? 7 ? -40.227 60.841 63.667 1.0 20.95 7 C 1 ATOM 51 N N . TYR A ? 8 ? -37.345 65.987 64.180 1.0 22.77 8 C 1 ATOM 52 C CA . TYR A ? 8 ? -36.501 66.887 63.395 1.0 23.46 8 C 1 ATOM 53 C C . TYR A ? 8 ? -35.005 66.567 63.513 1.0 26.48 8 C 1 ATOM 54 O O . TYR A ? 8 ? -34.255 66.654 62.538 1.0 23.14 8 C 1 ATOM 55 C CB . TYR A ? 8 ? -36.770 68.351 63.782 1.0 25.1 8 C 1 ATOM 56 C CG . TYR A ? 8 ? -35.748 69.335 63.243 1.0 31.57 8 C 1 ATOM 57 C CD1 . TYR A ? 8 ? -34.672 69.753 64.026 1.0 23.7 8 C 1 ATOM 58 C CD2 . TYR A ? 8 ? -35.855 69.839 61.952 1.0 36.47 8 C 1 ATOM 59 C CE1 . TYR A ? 8 ? -33.735 70.648 63.533 1.0 40.77 8 C 1 ATOM 60 C CE2 . TYR A ? 8 ? -34.924 70.736 61.451 1.0 31.91 8 C 1 ATOM 61 C CZ . TYR A ? 8 ? -33.866 71.135 62.244 1.0 35.43 8 C 1 ATOM 62 O OH . TYR A ? 8 ? -32.939 72.027 61.746 1.0 45.8 8 C 1 ATOM 63 N N . PHE A ? 9 ? -34.556 66.201 64.705 1.0 25.55 9 C 1 ATOM 64 C CA . PHE A ? 9 ? -33.123 65.998 64.889 1.0 25.94 9 C 1 ATOM 65 C C . PHE A ? 9 ? -32.608 64.679 64.306 1.0 24.66 9 C 1 ATOM 66 O O . PHE A ? 9 ? -33.171 63.601 64.532 1.0 21.43 9 C 1 ATOM 67 C CB . PHE A ? 9 ? -32.718 66.190 66.353 1.0 29.22 9 C 1 ATOM 68 C CG . PHE A ? 9 ? -32.653 67.641 66.774 1.0 38.17 9 C 1 ATOM 69 C CD1 . PHE A ? 9 ? -31.544 68.417 66.461 1.0 30.84 9 C 1 ATOM 70 C CD2 . PHE A ? 9 ? -33.702 68.229 67.469 1.0 33.42 9 C 1 ATOM 71 C CE1 . PHE A ? 9 ? -31.478 69.753 66.841 1.0 41.54 9 C 1 ATOM 72 C CE2 . PHE A ? 9 ? -33.644 69.564 67.852 1.0 33.23 9 C 1 ATOM 73 C CZ . PHE A ? 9 ? -32.529 70.325 67.538 1.0 35.65 9 C 1 ATOM 74 N N . GLU A ? 10 ? -31.532 64.753 63.540 1.0 18.72 10 C 1 ATOM 75 C CA . GLU A ? 10 ? -30.868 63.606 62.972 1.0 14.51 10 C 1 ATOM 76 C C . GLU A ? 10 ? -30.267 62.731 64.045 1.0 13.67 10 C 1 ATOM 77 O O . GLU A ? 10 ? -30.052 63.174 65.109 1.0 15.64 10 C 1 ATOM 78 C CB . GLU A ? 10 ? -29.720 64.068 62.076 1.0 14.49 10 C 1 ATOM 79 C CG . GLU A ? 10 ? -30.110 64.895 60.935 1.0 17.17 10 C 1 ATOM 80 C CD . GLU A ? 10 ? -28.902 65.508 60.171 1.0 21.36 10 C 1 ATOM 81 O OE1 . GLU A ? 10 ? -27.745 65.249 60.495 1.0 19.79 10 C 1 ATOM 82 O OE2 . GLU A ? 10 ? -29.183 66.233 59.245 1.0 23.33 10 C 1 ATOM 83 N N . TYR A ? 11 ? -29.988 61.489 63.696 1.0 11.79 11 C 1 ATOM 84 C CA . TYR A ? 11 ? -29.208 60.591 64.537 1.0 11.9 11 C 1 ATOM 85 C C . TYR A ? 11 ? -27.722 61.024 64.603 1.0 9.88 11 C 1 ATOM 86 O O . TYR A ? 11 ? -27.026 60.538 65.464 0.7 5.32 11 C 1 ATOM 87 C CB . TYR A ? 11 ? -29.313 59.120 64.060 1.0 11.97 11 C 1 ATOM 88 C CG . TYR A ? 11 ? -30.666 58.415 64.187 1.0 10.92 11 C 1 ATOM 89 C CD1 . TYR A ? 11 ? -30.758 57.182 64.714 1.0 12.81 11 C 1 ATOM 90 C CD2 . TYR A ? 11 ? -31.812 58.964 63.703 1.0 13.04 11 C 1 ATOM 91 C CE1 . TYR A ? 11 ? -31.968 56.542 64.819 1.0 13.68 11 C 1 ATOM 92 C CE2 . TYR A ? 11 ? -33.000 58.324 63.759 1.0 13.56 11 C 1 ATOM 93 C CZ . TYR A ? 11 ? -33.102 57.105 64.334 1.0 12.9 11 C 1 ATOM 94 O OH . TYR A ? 11 ? -34.285 56.432 64.431 1.0 16.01 11 C 1 ATOM 95 O OXT . TYR A ? 11 ? -27.265 61.838 63.801 1.0 13.76 11 C 1 #