data_3rwe_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 . PHE A ? 1 ? -51.851 59.503 64.174 1.0 47.07 1 C 1 ATOM 2 C CA . PHE A ? 1 ? -51.110 60.393 63.288 1.0 45.4 1 C 1 ATOM 3 C C . PHE A ? 1 ? -49.614 60.237 63.538 1.0 39.1 1 C 1 ATOM 4 O O . PHE A ? 1 ? -49.211 59.582 64.493 1.0 47.37 1 C 1 ATOM 5 C CB . PHE A ? 1 ? -51.554 61.846 63.490 1.0 53.26 1 C 1 ATOM 6 C CG . PHE A ? 1 ? -51.403 62.708 62.264 1.0 56.65 1 C 1 ATOM 7 C CD1 . PHE A ? 1 ? -52.383 62.720 61.282 1.0 53.48 1 C 1 ATOM 8 C CD2 . PHE A ? 1 ? -50.293 63.522 62.102 1.0 55.77 1 C 1 ATOM 9 C CE1 . PHE A ? 1 ? -52.249 63.518 60.156 1.0 46.8 1 C 1 ATOM 10 C CE2 . PHE A ? 1 ? -50.158 64.321 60.977 1.0 55.36 1 C 1 ATOM 11 C CZ . PHE A ? 1 ? -51.137 64.319 60.005 1.0 44.12 1 C 1 ATOM 12 N N . GLN A ? 2 ? -48.801 60.851 62.683 1.0 29.81 2 C 1 ATOM 13 C CA . GLN A ? 2 ? -47.354 60.693 62.722 1.0 33.71 2 C 1 ATOM 14 C C . GLN A ? 2 ? -46.702 61.779 63.546 1.0 39.92 2 C 1 ATOM 15 O O . GLN A ? 2 ? -47.249 62.871 63.709 1.0 54.15 2 C 1 ATOM 16 C CB . GLN A ? 2 ? -46.792 60.749 61.305 1.0 34.94 2 C 1 ATOM 17 C CG . GLN A ? 2 ? -45.872 59.603 60.936 1.0 36.25 2 C 1 ATOM 18 C CD . GLN A ? 2 ? -45.692 59.474 59.430 1.0 43.34 2 C 1 ATOM 19 N NE2 . GLN A ? 2 ? -44.467 59.189 59.001 1.0 44.41 2 C 1 ATOM 20 O OE1 . GLN A ? 2 ? -46.643 59.639 58.663 1.0 50.07 2 C 1 ATOM 21 N N . TRP A ? 3 ? -45.510 61.478 64.039 1.0 34.44 3 C 1 ATOM 22 C CA . TRP A ? 3 ? -44.781 62.412 64.875 1.0 34.52 3 C 1 ATOM 23 C C . TRP A ? 3 ? -43.937 63.372 64.041 1.0 38.56 3 C 1 ATOM 24 O O . TRP A ? 3 ? -43.312 62.976 63.055 1.0 37.05 3 C 1 ATOM 25 C CB . TRP A ? 3 ? -43.935 61.655 65.901 1.0 36.77 3 C 1 ATOM 26 C CG . TRP A ? 3 ? -42.795 62.444 66.445 1.0 45.05 3 C 1 ATOM 27 C CD1 . TRP A ? 3 ? -41.470 62.220 66.219 1.0 56.35 3 C 1 ATOM 28 C CD2 . TRP A ? 3 ? -42.868 63.590 67.306 1.0 47.32 3 C 1 ATOM 29 C CE2 . TRP A ? 3 ? -41.544 64.002 67.556 1.0 58.56 3 C 1 ATOM 30 C CE3 . TRP A ? 3 ? -43.920 64.305 67.885 1.0 55.84 3 C 1 ATOM 31 N NE1 . TRP A ? 3 ? -40.712 63.151 66.883 1.0 59.49 3 C 1 ATOM 32 C CZ2 . TRP A ? 3 ? -41.246 65.099 68.364 1.0 65.45 3 C 1 ATOM 33 C CZ3 . TRP A ? 3 ? -43.620 65.395 68.688 1.0 60.39 3 C 1 ATOM 34 C CH2 . TRP A ? 3 ? -42.294 65.781 68.919 1.0 65.83 3 C 1 ATOM 35 N N . MET A ? 4 ? -43.945 64.640 64.444 1.0 50.94 4 C 1 ATOM 36 C CA A MET A ? 4 ? -43.161 65.657 63.753 0.54 51.52 4 C 1 ATOM 37 C CA B MET A ? 4 ? -43.208 65.703 63.766 0.46 51.68 4 C 1 ATOM 38 C C . MET A ? 4 ? -42.067 66.217 64.647 1.0 55.05 4 C 1 ATOM 39 O O . MET A ? 4 ? -42.277 66.498 65.830 1.0 55.89 4 C 1 ATOM 40 C CB A MET A ? 4 ? -44.045 66.791 63.218 0.54 50.89 4 C 1 ATOM 41 C CB B MET A ? 4 ? -44.167 66.853 63.439 0.46 51.25 4 C 1 ATOM 42 C CG A MET A ? 4 ? -44.657 67.677 64.294 0.54 50.49 4 C 1 ATOM 43 C CG B MET A ? 4 ? -43.542 68.055 62.743 0.46 50.42 4 C 1 ATOM 44 S SD A MET A ? 4 ? -45.164 69.301 63.682 0.54 75.16 4 C 1 ATOM 45 S SD B MET A ? 4 ? -43.242 67.813 60.982 0.46 57.43 4 C 1 ATOM 46 C CE A MET A ? 4 ? -43.610 70.195 63.735 0.54 29.84 4 C 1 ATOM 47 C CE B MET A ? 4 ? -41.500 67.417 60.999 0.46 35.67 4 C 1 ATOM 48 N N . GLY A ? 5 ? -40.878 66.357 64.069 1.0 67.17 5 C 1 ATOM 49 C CA . GLY A ? 5 ? -39.743 66.889 64.798 1.0 76.45 5 C 1 ATOM 50 C C . GLY A ? 5 ? -38.404 66.396 64.284 1.0 79.49 5 C 1 ATOM 51 O O . GLY A ? 5 ? -38.326 65.390 63.579 1.0 77.24 5 C 1 ATOM 52 N N . TYR A ? 6 ? -37.344 67.109 64.647 1.0 84.93 6 C 1 ATOM 53 C CA . TYR A ? 6 ? -36.002 66.762 64.206 1.0 88.87 6 C 1 ATOM 54 C C . TYR A ? 6 ? -35.405 65.680 65.095 1.0 75.8 6 C 1 ATOM 55 O O . TYR A ? 6 ? -35.320 65.842 66.311 1.0 82.73 6 C 1 ATOM 56 C CB . TYR A ? 6 ? -35.103 67.997 64.203 1.0 101.97 6 C 1 ATOM 57 C CG . TYR A ? 6 ? -35.527 69.062 63.218 1.0 111.32 6 C 1 ATOM 58 C CD1 . TYR A ? 6 ? -35.287 68.911 61.859 1.0 114.76 6 C 1 ATOM 59 C CD2 . TYR A ? 6 ? -36.157 70.223 63.646 1.0 114.17 6 C 1 ATOM 60 C CE1 . TYR A ? 6 ? -35.669 69.882 60.953 1.0 118.93 6 C 1 ATOM 61 C CE2 . TYR A ? 6 ? -36.542 71.201 62.748 1.0 117.89 6 C 1 ATOM 62 C CZ . TYR A ? 6 ? -36.296 71.025 61.403 1.0 119.83 6 C 1 ATOM 63 O OH . TYR A ? 6 ? -36.677 71.996 60.508 1.0 118.06 6 C 1 ATOM 64 N N . GLU A ? 7 ? -34.994 64.577 64.479 1.0 59.51 7 C 1 ATOM 65 C CA . GLU A ? 7 ? -34.424 63.455 65.210 1.0 49.39 7 C 1 ATOM 66 C C . GLU A ? 7 ? -33.126 62.999 64.552 1.0 41.62 7 C 1 ATOM 67 O O . GLU A ? 7 ? -33.092 61.980 63.863 1.0 51.75 7 C 1 ATOM 68 C CB . GLU A ? 7 ? -35.428 62.302 65.270 1.0 50.06 7 C 1 ATOM 69 C CG . GLU A ? 7 ? -34.933 61.075 66.009 1.0 62.58 7 C 1 ATOM 70 C CD . GLU A ? 7 ? -35.926 59.931 65.968 1.0 69.25 7 C 1 ATOM 71 O OE1 . GLU A ? 7 ? -37.143 60.202 65.884 1.0 76.5 7 C 1 ATOM 72 O OE2 . GLU A ? 7 ? -35.490 58.764 66.010 1.0 74.52 7 C 1 ATOM 73 N N . LEU A ? 8 ? -32.060 63.764 64.763 1.0 29.48 8 C 1 ATOM 74 C CA . LEU A ? 8 ? -30.769 63.464 64.153 1.0 34.9 8 C 1 ATOM 75 C C . LEU A ? 8 ? -29.890 62.616 65.066 1.0 32.37 8 C 1 ATOM 76 O O . LEU A ? 8 ? -29.783 62.881 66.262 1.0 25.06 8 C 1 ATOM 77 C CB . LEU A ? 8 ? -30.039 64.758 63.783 1.0 38.72 8 C 1 ATOM 78 C CG . LEU A ? 8 ? -30.751 65.689 62.800 1.0 36.15 8 C 1 ATOM 79 C CD1 . LEU A ? 8 ? -29.966 66.980 62.618 1.0 29.91 8 C 1 ATOM 80 C CD2 . LEU A ? 8 ? -30.969 64.995 61.465 1.0 26.18 8 C 1 ATOM 81 N N . TRP A ? 9 ? -29.263 61.593 64.493 1.0 24.94 9 C 1 ATOM 82 C CA . TRP A ? 9 ? -28.345 60.742 65.242 1.0 19.96 9 C 1 ATOM 83 C C . TRP A ? 9 ? -27.035 61.469 65.527 1.0 24.31 9 C 1 ATOM 84 O O . TRP A ? 9 ? -26.306 61.122 66.456 1.0 29.87 9 C 1 ATOM 85 C CB . TRP A ? 9 ? -28.066 59.441 64.485 1.0 20.36 9 C 1 ATOM 86 C CG . TRP A ? 9 ? -29.213 58.478 64.492 1.0 22.51 9 C 1 ATOM 87 C CD1 . TRP A ? 9 ? -30.473 58.706 64.962 1.0 29.93 9 C 1 ATOM 88 C CD2 . TRP A ? 9 ? -29.201 57.126 64.013 1.0 20.71 9 C 1 ATOM 89 C CE2 . TRP A ? 9 ? -30.492 56.601 64.224 1.0 25.91 9 C 1 ATOM 90 C CE3 . TRP A ? 9 ? -28.226 56.314 63.427 1.0 25.45 9 C 1 ATOM 91 N NE1 . TRP A ? 9 ? -31.248 57.582 64.802 1.0 31.41 9 C 1 ATOM 92 C CZ2 . TRP A ? 9 ? -30.831 55.296 63.866 1.0 20.22 9 C 1 ATOM 93 C CZ3 . TRP A ? 9 ? -28.566 55.020 63.074 1.0 30.6 9 C 1 ATOM 94 C CH2 . TRP A ? 9 ? -29.858 54.524 63.295 1.0 22.88 9 C 1 ATOM 95 O OXT . TRP A ? 9 ? -26.676 62.420 64.833 1.0 26.48 9 C 1 #