data_3b3i_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 . ARG A ? 1 ? -52.098 59.515 64.259 1.0 11.98 1 C 1 ATOM 2 C CA . ARG A ? 1 ? -51.420 60.751 63.791 1.0 12.08 1 C 1 ATOM 3 C C . ARG A ? 1 ? -49.938 60.732 64.190 1.0 11.27 1 C 1 ATOM 4 O O . ARG A ? 1 ? -49.596 60.352 65.313 1.0 10.54 1 C 1 ATOM 5 C CB . ARG A ? 1 ? -52.175 61.968 64.342 1.0 13.04 1 C 1 ATOM 6 C CG . ARG A ? 1 ? -51.393 63.243 64.464 1.0 15.18 1 C 1 ATOM 7 C CD . ARG A ? 1 ? -52.247 64.441 64.118 1.0 17.53 1 C 1 ATOM 8 N NE . ARG A ? 1 ? -51.785 65.616 64.847 1.0 20.09 1 C 1 ATOM 9 C CZ . ARG A ? 1 ? -52.170 66.863 64.604 1.0 21.01 1 C 1 ATOM 10 N NH1 . ARG A ? 1 ? -53.028 67.130 63.626 1.0 22.25 1 C 1 ATOM 11 N NH2 . ARG A ? 1 ? -51.674 67.848 65.339 1.0 21.85 1 C 1 ATOM 12 N N . ARG A ? 2 ? -49.072 61.117 63.254 1.0 10.5 2 C 1 ATOM 13 C CA . ARG A ? 2 ? -47.621 61.013 63.428 1.0 10.5 2 C 1 ATOM 14 C C . ARG A ? 2 ? -47.021 62.160 64.238 1.0 11.61 2 C 1 ATOM 15 O O . ARG A ? 2 ? -47.642 63.212 64.407 1.0 10.98 2 C 1 ATOM 16 C CB . ARG A ? 2 ? -46.920 60.959 62.061 1.0 10.26 2 C 1 ATOM 17 C CG . ARG A ? 2 ? -47.266 59.749 61.210 1.0 9.16 2 C 1 ATOM 18 C CD . ARG A ? 2 ? -46.623 59.834 59.824 1.0 8.78 2 C 1 ATOM 19 N NE . ARG A ? 2 ? -46.967 58.660 59.012 1.0 6.29 2 C 1 ATOM 20 C CZ . ARG A ? 2 ? -46.230 57.553 58.923 1.0 6.92 2 C 1 ATOM 21 N NH1 . ARG A ? 2 ? -45.082 57.442 59.592 1.0 5.27 2 C 1 ATOM 22 N NH2 . ARG A ? 2 ? -46.642 56.542 58.165 1.0 7.95 2 C 1 ATOM 23 N N . LYS A ? 3 ? -45.804 61.933 64.720 1.0 12.95 3 C 1 ATOM 24 C CA . LYS A ? 3 ? -44.962 62.962 65.322 1.0 15.38 3 C 1 ATOM 25 C C . LYS A ? 3 ? -43.997 63.502 64.268 1.0 16.56 3 C 1 ATOM 26 O O . LYS A ? 3 ? -43.309 62.729 63.592 1.0 16.6 3 C 1 ATOM 27 C CB . LYS A ? 3 ? -44.144 62.352 66.470 1.0 15.47 3 C 1 ATOM 28 C CG . LYS A ? 3 ? -43.017 63.237 67.022 1.0 17.2 3 C 1 ATOM 29 C CD . LYS A ? 3 ? -43.487 63.986 68.265 1.0 20.38 3 C 1 ATOM 30 C CE . LYS A ? 3 ? -42.571 65.139 68.644 1.0 20.74 3 C 1 ATOM 31 N NZ . LYS A ? 3 ? -42.919 66.390 67.909 1.0 22.88 3 C 1 ATOM 32 N N . TRP A ? 4 ? -43.914 64.822 64.151 1.0 18.11 4 C 1 ATOM 33 C CA . TRP A ? 4 ? -42.900 65.434 63.290 1.0 19.66 4 C 1 ATOM 34 C C . TRP A ? 4 ? -41.533 65.304 63.961 1.0 19.74 4 C 1 ATOM 35 O O . TRP A ? 4 ? -41.329 65.807 65.071 1.0 20.25 4 C 1 ATOM 36 C CB . TRP A ? 4 ? -43.220 66.906 63.028 1.0 20.63 4 C 1 ATOM 37 C CG . TRP A ? 4 ? -42.811 67.383 61.660 1.0 22.21 4 C 1 ATOM 38 C CD1 . TRP A ? 4 ? -41.583 67.249 61.070 1.0 23.5 4 C 1 ATOM 39 C CD2 . TRP A ? 4 ? -43.634 68.080 60.715 1.0 23.12 4 C 1 ATOM 40 C CE2 . TRP A ? 4 ? -42.838 68.333 59.572 1.0 23.2 4 C 1 ATOM 41 C CE3 . TRP A ? 4 ? -44.967 68.520 60.724 1.0 23.32 4 C 1 ATOM 42 N NE1 . TRP A ? 4 ? -41.592 67.817 59.817 1.0 24.05 4 C 1 ATOM 43 C CZ2 . TRP A ? 4 ? -43.330 69.003 58.450 1.0 23.03 4 C 1 ATOM 44 C CZ3 . TRP A ? 4 ? -45.456 69.184 59.603 1.0 23.3 4 C 1 ATOM 45 C CH2 . TRP A ? 4 ? -44.637 69.422 58.484 1.0 22.91 4 C 1 ATOM 46 N N . ARG A ? 5 ? -37.845 66.210 64.695 1.0 19.86 6 C 1 ATOM 47 C CA . ARG A ? 5 ? -37.038 67.431 64.623 1.0 20.18 6 C 1 ATOM 48 C C . ARG A ? 5 ? -35.609 67.233 65.137 1.0 19.69 6 C 1 ATOM 49 O O . ARG A ? 5 ? -34.973 68.195 65.589 1.0 19.94 6 C 1 ATOM 50 C CB . ARG A ? 5 ? -37.721 68.579 65.390 1.0 20.88 6 C 1 ATOM 51 C CG . ARG A ? 5 ? -39.195 68.810 65.052 1.0 23.12 6 C 1 ATOM 52 C CD . ARG A ? 5 ? -39.419 69.736 63.857 1.0 28.15 6 C 1 ATOM 53 N NE . ARG A ? 5 ? -40.848 70.031 63.700 1.0 31.4 6 C 1 ATOM 54 C CZ . ARG A ? 5 ? -41.370 70.871 62.808 1.0 32.98 6 C 1 ATOM 55 N NH1 . ARG A ? 5 ? -40.591 71.531 61.956 1.0 33.8 6 C 1 ATOM 56 N NH2 . ARG A ? 5 ? -42.689 71.048 62.767 1.0 33.08 6 C 1 ATOM 57 N N . TRP A ? 6 ? -35.106 66.000 65.047 1.0 18.68 7 C 1 ATOM 58 C CA . TRP A ? 6 ? -33.776 65.643 65.562 1.0 17.47 7 C 1 ATOM 59 C C . TRP A ? 6 ? -33.070 64.651 64.635 1.0 16.63 7 C 1 ATOM 60 O O . TRP A ? 6 ? -33.715 63.972 63.836 1.0 16.92 7 C 1 ATOM 61 C CB . TRP A ? 6 ? -33.882 65.070 66.980 1.0 17.55 7 C 1 ATOM 62 C CG . TRP A ? 6 ? -35.027 64.119 67.129 1.0 17.89 7 C 1 ATOM 63 C CD1 . TRP A ? 6 ? -35.029 62.784 66.838 1.0 17.9 7 C 1 ATOM 64 C CD2 . TRP A ? 6 ? -36.352 64.435 67.573 1.0 17.7 7 C 1 ATOM 65 C CE2 . TRP A ? 6 ? -37.104 63.237 67.531 1.0 17.84 7 C 1 ATOM 66 C CE3 . TRP A ? 6 ? -36.978 65.613 68.000 1.0 18.5 7 C 1 ATOM 67 N NE1 . TRP A ? 6 ? -36.272 62.245 67.085 1.0 17.44 7 C 1 ATOM 68 C CZ2 . TRP A ? 6 ? -38.448 63.182 67.908 1.0 18.29 7 C 1 ATOM 69 C CZ3 . TRP A ? 6 ? -38.321 65.556 68.373 1.0 18.21 7 C 1 ATOM 70 C CH2 . TRP A ? 6 ? -39.036 64.350 68.323 1.0 18.3 7 C 1 ATOM 71 N N . HIS A ? 7 ? -31.744 64.586 64.741 1.0 15.55 8 C 1 ATOM 72 C CA . HIS A ? 7 ? -30.920 63.691 63.936 1.0 14.33 8 C 1 ATOM 73 C C . HIS A ? 7 ? -30.138 62.762 64.851 1.0 13.56 8 C 1 ATOM 74 O O . HIS A ? 7 ? -29.900 63.094 66.010 1.0 13.1 8 C 1 ATOM 75 C CB . HIS A ? 7 ? -29.924 64.490 63.092 1.0 14.75 8 C 1 ATOM 76 C CG . HIS A ? 7 ? -30.521 65.116 61.873 1.0 15.31 8 C 1 ATOM 77 C CD2 . HIS A ? 7 ? -30.695 64.637 60.618 1.0 15.82 8 C 1 ATOM 78 N ND1 . HIS A ? 7 ? -31.009 66.404 61.861 1.0 16.98 8 C 1 ATOM 79 C CE1 . HIS A ? 7 ? -31.466 66.690 60.655 1.0 16.98 8 C 1 ATOM 80 N NE2 . HIS A ? 7 ? -31.287 65.635 59.881 1.0 16.91 8 C 1 ATOM 81 N N . LEU A ? 8 ? -29.724 61.614 64.318 1.0 12.53 9 C 1 ATOM 82 C CA . LEU A ? 8 ? -28.815 60.699 65.027 1.0 12.0 9 C 1 ATOM 83 C C . LEU A ? 8 ? -27.446 61.339 65.215 1.0 12.16 9 C 1 ATOM 84 O O . LEU A ? 8 ? -27.096 62.286 64.500 1.0 11.83 9 C 1 ATOM 85 C CB . LEU A ? 8 ? -28.661 59.378 64.260 1.0 11.82 9 C 1 ATOM 86 C CG . LEU A ? 8 ? -29.875 58.452 64.102 1.0 11.13 9 C 1 ATOM 87 C CD1 . LEU A ? 8 ? -29.452 57.156 63.460 1.0 9.39 9 C 1 ATOM 88 C CD2 . LEU A ? 8 ? -30.575 58.161 65.434 1.0 11.46 9 C 1 ATOM 89 O OXT . LEU A ? 8 ? -26.668 60.926 66.087 1.0 11.8 9 C 1 #