data_3rwh_2 # 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 . MET A ? 1 ? -51.700 59.674 63.787 1.0 13.97 1 F 1 ATOM 2 C CA . MET A ? 1 ? -50.814 60.784 63.458 1.0 18.0 1 F 1 ATOM 3 C C . MET A ? 1 ? -49.364 60.436 63.776 1.0 19.45 1 F 1 ATOM 4 O O . MET A ? 1 ? -49.063 59.908 64.847 1.0 19.45 1 F 1 ATOM 5 C CB . MET A ? 1 ? -51.233 62.045 64.215 1.0 17.83 1 F 1 ATOM 6 C CG . MET A ? 1 ? -50.435 63.283 63.843 1.0 24.29 1 F 1 ATOM 7 S SD . MET A ? 1 ? -50.575 63.691 62.092 1.0 29.11 1 F 1 ATOM 8 C CE . MET A ? 1 ? -52.341 63.945 61.945 1.0 16.8 1 F 1 ATOM 9 N N . ARG A ? 2 ? -48.470 60.739 62.841 1.0 15.77 2 F 1 ATOM 10 C CA . ARG A ? 2 ? -47.059 60.403 62.990 1.0 17.18 2 F 1 ATOM 11 C C . ARG A ? 2 ? -46.350 61.314 63.988 1.0 19.89 2 F 1 ATOM 12 O O . ARG A ? 2 ? -46.805 62.421 64.271 1.0 13.24 2 F 1 ATOM 13 C CB . ARG A ? 2 ? -46.349 60.470 61.637 1.0 12.37 2 F 1 ATOM 14 C CG . ARG A ? 2 ? -46.859 59.474 60.611 1.0 12.9 2 F 1 ATOM 15 C CD . ARG A ? 2 ? -46.160 59.662 59.275 1.0 11.6 2 F 1 ATOM 16 N NE . ARG A ? 2 ? -46.576 58.665 58.292 1.0 16.58 2 F 1 ATOM 17 C CZ . ARG A ? 2 ? -45.973 57.495 58.118 1.0 15.09 2 F 1 ATOM 18 N NH1 . ARG A ? 2 ? -44.925 57.173 58.860 1.0 10.21 2 F 1 ATOM 19 N NH2 . ARG A ? 2 ? -46.416 56.645 57.200 1.0 8.26 2 F 1 ATOM 20 N N . HIS A ? 3 ? -45.230 60.831 64.516 1.0 20.92 3 F 1 ATOM 21 C CA . HIS A ? 3 ? -44.388 61.619 65.404 1.0 19.84 3 F 1 ATOM 22 C C . HIS A ? 3 ? -43.269 62.278 64.610 1.0 23.62 3 F 1 ATOM 23 O O . HIS A ? 3 ? -42.631 61.639 63.775 1.0 20.69 3 F 1 ATOM 24 C CB . HIS A ? 3 ? -43.802 60.738 66.509 1.0 20.65 3 F 1 ATOM 25 C CG . HIS A ? 3 ? -42.611 61.336 67.195 1.0 21.96 3 F 1 ATOM 26 C CD2 . HIS A ? 3 ? -41.323 60.929 67.253 1.0 18.4 3 F 1 ATOM 27 N ND1 . HIS A ? 3 ? -42.682 62.497 67.933 1.0 22.81 3 F 1 ATOM 28 C CE1 . HIS A ? 3 ? -41.486 62.782 68.416 1.0 18.36 3 F 1 ATOM 29 N NE2 . HIS A ? 3 ? -40.641 61.846 68.019 1.0 18.5 3 F 1 ATOM 30 N N . VAL A ? 4 ? -43.040 63.561 64.868 1.0 25.9 4 F 1 ATOM 31 C CA . VAL A ? 4 ? -41.979 64.298 64.195 1.0 21.94 4 F 1 ATOM 32 C C . VAL A ? 4 ? -40.612 63.787 64.643 1.0 19.76 4 F 1 ATOM 33 O O . VAL A ? 4 ? -40.190 64.029 65.774 1.0 29.81 4 F 1 ATOM 34 C CB . VAL A ? 4 ? -42.086 65.809 64.474 1.0 30.42 4 F 1 ATOM 35 C CG1 . VAL A ? 4 ? -40.967 66.561 63.772 1.0 22.05 4 F 1 ATOM 36 C CG2 . VAL A ? 4 ? -43.448 66.331 64.033 1.0 16.67 4 F 1 ATOM 37 N N . LEU A ? 5 ? -39.929 63.079 63.749 1.0 18.57 5 F 1 ATOM 38 C CA . LEU A ? 5 ? -38.645 62.466 64.072 1.0 18.76 5 F 1 ATOM 39 C C . LEU A ? 5 ? -37.539 63.497 64.268 1.0 17.27 5 F 1 ATOM 40 O O . LEU A ? 5 ? -37.691 64.666 63.913 1.0 28.3 5 F 1 ATOM 41 C CB . LEU A ? 5 ? -38.226 61.471 62.985 1.0 17.42 5 F 1 ATOM 42 C CG . LEU A ? 5 ? -39.067 60.210 62.774 1.0 17.86 5 F 1 ATOM 43 C CD1 . LEU A ? 5 ? -40.378 60.536 62.079 1.0 39.01 5 F 1 ATOM 44 C CD2 . LEU A ? 5 ? -38.283 59.174 61.981 1.0 18.82 5 F 1 ATOM 45 N N . GLU A ? 6 ? -36.425 63.047 64.836 1.0 15.48 6 F 1 ATOM 46 C CA . GLU A ? 6 ? -35.248 63.887 65.018 1.0 20.57 6 F 1 ATOM 47 C C . GLU A ? 6 ? -33.982 63.071 64.764 1.0 18.29 6 F 1 ATOM 48 O O . GLU A ? 6 ? -33.874 61.929 65.209 1.0 16.54 6 F 1 ATOM 49 C CB . GLU A ? 6 ? -35.236 64.512 66.416 1.0 20.37 6 F 1 ATOM 50 C CG . GLU A ? 6 ? -36.430 65.419 66.691 1.0 20.59 6 F 1 ATOM 51 C CD . GLU A ? 6 ? -36.341 66.128 68.027 1.0 21.89 6 F 1 ATOM 52 O OE1 . GLU A ? 6 ? -37.379 66.637 68.501 1.0 16.71 6 F 1 ATOM 53 O OE2 . GLU A ? 6 ? -35.234 66.182 68.603 1.0 17.43 6 F 1 ATOM 54 N N . PRO A ? 7 ? -33.020 63.661 64.038 1.0 24.34 7 F 1 ATOM 55 C CA . PRO A ? 7 ? -31.810 62.992 63.541 1.0 22.61 7 F 1 ATOM 56 C C . PRO A ? 7 ? -30.981 62.295 64.621 1.0 19.16 7 F 1 ATOM 57 O O . PRO A ? 7 ? -31.090 62.622 65.802 1.0 12.85 7 F 1 ATOM 58 C CB . PRO A ? 7 ? -31.004 64.143 62.932 1.0 16.69 7 F 1 ATOM 59 C CG . PRO A ? 7 ? -32.025 65.157 62.560 1.0 28.85 7 F 1 ATOM 60 C CD . PRO A ? 7 ? -33.069 65.076 63.632 1.0 28.68 7 F 1 ATOM 61 N N . PHE A ? 8 ? -30.157 61.339 64.198 1.0 18.84 8 F 1 ATOM 62 C CA . PHE A ? 8 ? -29.231 60.657 65.096 1.0 15.77 8 F 1 ATOM 63 C C . PHE A ? 8 ? -28.149 61.614 65.575 1.0 21.2 8 F 1 ATOM 64 O O . PHE A ? 8 ? -27.886 62.636 64.942 1.0 17.97 8 F 1 ATOM 65 C CB . PHE A ? 8 ? -28.582 59.460 64.397 1.0 17.89 8 F 1 ATOM 66 C CG . PHE A ? 8 ? -29.461 58.244 64.326 1.0 18.7 8 F 1 ATOM 67 C CD1 . PHE A ? 8 ? -30.626 58.169 65.069 1.0 18.78 8 F 1 ATOM 68 C CD2 . PHE A ? 8 ? -29.114 57.171 63.521 1.0 17.92 8 F 1 ATOM 69 C CE1 . PHE A ? 8 ? -31.434 57.050 65.006 1.0 22.89 8 F 1 ATOM 70 C CE2 . PHE A ? 8 ? -29.916 56.048 63.455 1.0 22.77 8 F 1 ATOM 71 C CZ . PHE A ? 8 ? -31.078 55.988 64.198 1.0 22.79 8 F 1 ATOM 72 O OXT . PHE A ? 8 ? -27.506 61.385 66.600 1.0 24.1 8 F 1 #