data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 ILE 0 3 ARG 0 4 LEU 0 5 LEU 0 6 THR 0 7 VAL 0 8 VAL 0 9 ILE 0 10 TYR 0 11 MET 0 12 PHE 0 13 ALA 0 14 ILE 0 15 SER 0 16 SER 0 17 ASN 0 18 ALA 0 19 ASN 0 20 PRO 0 21 HIS 0 22 GLY 0 23 TYR 0 24 LEU 0 25 LYS 0 26 SER 0 27 GLU 0 28 ILE 0 29 PRO 0 30 GLU 0 31 ALA 0 32 LEU 0 33 LEU 0 34 ASP 0 35 SER 0 36 ASN 0 37 SER 0 38 PHE 0 39 MET 0 40 ASP 0 41 ASN 0 42 SER 0 43 PRO 0 44 TYR 0 45 TYR 0 46 TYR 0 47 GLN 0 48 ARG 0 49 SER 0 50 GLN 0 51 PHE 0 52 PRO 0 53 LYS 0 54 TRP 0 55 TRP 0 56 LYS 0 57 THR 0 58 ILE 0 59 ASN 0 60 GLU 0 61 LYS 0 62 ARG 0 63 TRP 0 64 PHE 0 65 PRO 0 66 ILE 0 67 LYS 0 68 GLU 0 69 TYR 0 70 ARG 0 71 GLY 0 72 GLY 0 73 LEU 0 74 MET 0 75 GLU 0 76 VAL # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # 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 0 1 . -24.188 -13.392 22.540 1.00 61.58 1 A 1 ATOM 2 C CA . MET A 0 1 . -22.706 -13.452 22.568 1.00 61.58 1 A 1 ATOM 3 C C . MET A 0 1 . -22.075 -13.680 21.190 1.00 61.58 1 A 1 ATOM 4 C CB . MET A 0 1 . -22.203 -14.456 23.611 1.00 61.58 1 A 1 ATOM 5 O O . MET A 0 1 . -21.074 -13.042 20.905 1.00 61.58 1 A 1 ATOM 6 C CG . MET A 0 1 . -22.575 -13.973 25.020 1.00 61.58 1 A 1 ATOM 7 S SD . MET A 0 1 . -21.989 -15.042 26.348 1.00 61.58 1 A 1 ATOM 8 C CE . MET A 0 1 . -20.287 -14.445 26.550 1.00 61.58 1 A 1 ATOM 9 N N . ILE A 0 2 . -22.671 -14.489 20.301 1.00 74.54 2 A 1 ATOM 10 C CA . ILE A 0 2 . -22.115 -14.819 18.966 1.00 74.54 2 A 1 ATOM 11 C C . ILE A 0 2 . -21.787 -13.586 18.100 1.00 74.54 2 A 1 ATOM 12 C CB . ILE A 0 2 . -23.093 -15.777 18.242 1.00 74.54 2 A 1 ATOM 13 O O . ILE A 0 2 . -20.735 -13.547 17.473 1.00 74.54 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . -23.203 -17.120 19.008 1.00 74.54 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . -22.677 -16.049 16.784 1.00 74.54 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . -24.526 -17.849 18.754 1.00 74.54 2 A 1 ATOM 17 N N . ARG A 0 3 . -22.630 -12.541 18.123 1.00 74.72 3 A 1 ATOM 18 C CA . ARG A 0 3 . -22.403 -11.316 17.328 1.00 74.72 3 A 1 ATOM 19 C C . ARG A 0 3 . -21.118 -10.566 17.693 1.00 74.72 3 A 1 ATOM 20 C CB . ARG A 0 3 . -23.601 -10.361 17.438 1.00 74.72 3 A 1 ATOM 21 O O . ARG A 0 3 . -20.511 -9.941 16.834 1.00 74.72 3 A 1 ATOM 22 C CG . ARG A 0 3 . -24.858 -10.909 16.752 1.00 74.72 3 A 1 ATOM 23 C CD . ARG A 0 3 . -25.933 -9.820 16.657 1.00 74.72 3 A 1 ATOM 24 N NE . ARG A 0 3 . -27.128 -10.295 15.935 1.00 74.72 3 A 1 ATOM 25 N NH1 . ARG A 0 3 . -28.363 -8.359 16.088 1.00 74.72 3 A 1 ATOM 26 N NH2 . ARG A 0 3 . -29.209 -10.127 15.027 1.00 74.72 3 A 1 ATOM 27 C CZ . ARG A 0 3 . -28.222 -9.593 15.689 1.00 74.72 3 A 1 ATOM 28 N N . LEU A 0 4 . -20.708 -10.626 18.959 1.00 80.13 4 A 1 ATOM 29 C CA . LEU A 0 4 . -19.483 -9.973 19.423 1.00 80.13 4 A 1 ATOM 30 C C . LEU A 0 4 . -18.251 -10.728 18.910 1.00 80.13 4 A 1 ATOM 31 C CB . LEU A 0 4 . -19.536 -9.861 20.962 1.00 80.13 4 A 1 ATOM 32 O O . LEU A 0 4 . -17.313 -10.121 18.407 1.00 80.13 4 A 1 ATOM 33 C CG . LEU A 0 4 . -19.507 -8.399 21.442 1.00 80.13 4 A 1 ATOM 34 C CD1 . LEU A 0 4 . -20.123 -8.292 22.836 1.00 80.13 4 A 1 ATOM 35 C CD2 . LEU A 0 4 . -18.077 -7.866 21.487 1.00 80.13 4 A 1 ATOM 36 N N . LEU A 0 5 . -18.309 -12.060 18.944 1.00 82.75 5 A 1 ATOM 37 C CA . LEU A 0 5 . -17.235 -12.928 18.471 1.00 82.75 5 A 1 ATOM 38 C C . LEU A 0 5 . -17.007 -12.786 16.957 1.00 82.75 5 A 1 ATOM 39 C CB . LEU A 0 5 . -17.572 -14.355 18.933 1.00 82.75 5 A 1 ATOM 40 O O . LEU A 0 5 . -15.864 -12.691 16.520 1.00 82.75 5 A 1 ATOM 41 C CG . LEU A 0 5 . -16.435 -15.373 18.718 1.00 82.75 5 A 1 ATOM 42 C CD1 . LEU A 0 5 . -16.437 -16.397 19.854 1.00 82.75 5 A 1 ATOM 43 C CD2 . LEU A 0 5 . -16.621 -16.138 17.410 1.00 82.75 5 A 1 ATOM 44 N N . THR A 0 6 . -18.073 -12.676 16.158 1.00 83.00 6 A 1 ATOM 45 C CA . THR A 0 6 . -17.942 -12.463 14.706 1.00 83.00 6 A 1 ATOM 46 C C . THR A 0 6 . -17.264 -11.136 14.371 1.00 83.00 6 A 1 ATOM 47 C CB . THR A 0 6 . -19.298 -12.545 13.987 1.00 83.00 6 A 1 ATOM 48 O O . THR A 0 6 . -16.427 -11.091 13.476 1.00 83.00 6 A 1 ATOM 49 C CG2 . THR A 0 6 . -19.849 -13.969 14.004 1.00 83.00 6 A 1 ATOM 50 O OG1 . THR A 0 6 . -20.279 -11.732 14.598 1.00 83.00 6 A 1 ATOM 51 N N . VAL A 0 7 . -17.574 -10.062 15.105 1.00 82.35 7 A 1 ATOM 52 C CA . VAL A 0 7 . -16.958 -8.744 14.871 1.00 82.35 7 A 1 ATOM 53 C C . VAL A 0 7 . -15.462 -8.775 15.189 1.00 82.35 7 A 1 ATOM 54 C CB . VAL A 0 7 . -17.689 -7.649 15.672 1.00 82.35 7 A 1 ATOM 55 O O . VAL A 0 7 . -14.667 -8.259 14.408 1.00 82.35 7 A 1 ATOM 56 C CG1 . VAL A 0 7 . -16.988 -6.288 15.586 1.00 82.35 7 A 1 ATOM 57 C CG2 . VAL A 0 7 . -19.112 -7.453 15.130 1.00 82.35 7 A 1 ATOM 58 N N . VAL A 0 8 . -15.063 -9.434 16.282 1.00 84.15 8 A 1 ATOM 59 C CA . VAL A 0 8 . -13.646 -9.576 16.655 1.00 84.15 8 A 1 ATOM 60 C C . VAL A 0 8 . -12.863 -10.338 15.580 1.00 84.15 8 A 1 ATOM 61 C CB . VAL A 0 8 . -13.511 -10.240 18.040 1.00 84.15 8 A 1 ATOM 62 O O . VAL A 0 8 . -11.790 -9.889 15.182 1.00 84.15 8 A 1 ATOM 63 C CG1 . VAL A 0 8 . -12.052 -10.530 18.415 1.00 84.15 8 A 1 ATOM 64 C CG2 . VAL A 0 8 . -14.082 -9.328 19.136 1.00 84.15 8 A 1 ATOM 65 N N . ILE A 0 9 . -13.413 -11.435 15.046 1.00 86.60 9 A 1 ATOM 66 C CA . ILE A 0 9 . -12.766 -12.208 13.971 1.00 86.60 9 A 1 ATOM 67 C C . ILE A 0 9 . -12.584 -11.358 12.705 1.00 86.60 9 A 1 ATOM 68 C CB . ILE A 0 9 . -13.554 -13.508 13.685 1.00 86.60 9 A 1 ATOM 69 O O . ILE A 0 9 . -11.501 -11.358 12.121 1.00 86.60 9 A 1 ATOM 70 C CG1 . ILE A 0 9 . -13.449 -14.458 14.900 1.00 86.60 9 A 1 ATOM 71 C CG2 . ILE A 0 9 . -13.032 -14.217 12.418 1.00 86.60 9 A 1 ATOM 72 C CD1 . ILE A 0 9 . -14.338 -15.701 14.793 1.00 86.60 9 A 1 ATOM 73 N N . TYR A 0 10 . -13.607 -10.599 12.299 1.00 83.01 10 A 1 ATOM 74 C CA . TYR A 0 10 . -13.511 -9.724 11.126 1.00 83.01 10 A 1 ATOM 75 C C . TYR A 0 10 . -12.448 -8.632 11.295 1.00 83.01 10 A 1 ATOM 76 C CB . TYR A 0 10 . -14.882 -9.111 10.803 1.00 83.01 10 A 1 ATOM 77 O O . TYR A 0 10 . -11.700 -8.364 10.356 1.00 83.01 10 A 1 ATOM 78 C CG . TYR A 0 10 . -15.664 -9.902 9.773 1.00 83.01 10 A 1 ATOM 79 C CD1 . TYR A 0 10 . -15.293 -9.823 8.416 1.00 83.01 10 A 1 ATOM 80 C CD2 . TYR A 0 10 . -16.752 -10.709 10.154 1.00 83.01 10 A 1 ATOM 81 C CE1 . TYR A 0 10 . -16.005 -10.551 7.443 1.00 83.01 10 A 1 ATOM 82 C CE2 . TYR A 0 10 . -17.464 -11.442 9.187 1.00 83.01 10 A 1 ATOM 83 O OH . TYR A 0 10 . -17.791 -12.068 6.902 1.00 83.01 10 A 1 ATOM 84 C CZ . TYR A 0 10 . -17.093 -11.363 7.830 1.00 83.01 10 A 1 ATOM 85 N N . MET A 0 11 . -12.330 -8.038 12.485 1.00 80.96 11 A 1 ATOM 86 C CA . MET A 0 11 . -11.305 -7.025 12.762 1.00 80.96 11 A 1 ATOM 87 C C . MET A 0 11 . -9.885 -7.600 12.666 1.00 80.96 11 A 1 ATOM 88 C CB . MET A 0 11 . -11.550 -6.392 14.140 1.00 80.96 11 A 1 ATOM 89 O O . MET A 0 11 . -9.017 -6.980 12.052 1.00 80.96 11 A 1 ATOM 90 C CG . MET A 0 11 . -12.784 -5.483 14.154 1.00 80.96 11 A 1 ATOM 91 S SD . MET A 0 11 . -12.640 -4.012 13.103 1.00 80.96 11 A 1 ATOM 92 C CE . MET A 0 11 . -14.234 -3.226 13.445 1.00 80.96 11 A 1 ATOM 93 N N . PHE A 0 12 . -9.650 -8.809 13.189 1.00 80.68 12 A 1 ATOM 94 C CA . PHE A 0 12 . -8.360 -9.495 13.050 1.00 80.68 12 A 1 ATOM 95 C C . PHE A 0 12 . -8.035 -9.854 11.592 1.00 80.68 12 A 1 ATOM 96 C CB . PHE A 0 12 . -8.334 -10.750 13.936 1.00 80.68 12 A 1 ATOM 97 O O . PHE A 0 12 . -6.885 -9.723 11.168 1.00 80.68 12 A 1 ATOM 98 C CG . PHE A 0 12 . -7.761 -10.500 15.316 1.00 80.68 12 A 1 ATOM 99 C CD1 . PHE A 0 12 . -6.366 -10.417 15.483 1.00 80.68 12 A 1 ATOM 100 C CD2 . PHE A 0 12 . -8.605 -10.349 16.432 1.00 80.68 12 A 1 ATOM 101 C CE1 . PHE A 0 12 . -5.819 -10.189 16.757 1.00 80.68 12 A 1 ATOM 102 C CE2 . PHE A 0 12 . -8.058 -10.118 17.707 1.00 80.68 12 A 1 ATOM 103 C CZ . PHE A 0 12 . -6.664 -10.039 17.869 1.00 80.68 12 A 1 ATOM 104 N N . ALA A 0 13 . -9.030 -10.260 10.799 1.00 78.42 13 A 1 ATOM 105 C CA . ALA A 0 13 . -8.842 -10.560 9.379 1.00 78.42 13 A 1 ATOM 106 C C . ALA A 0 13 . -8.459 -9.309 8.567 1.00 78.42 13 A 1 ATOM 107 C CB . ALA A 0 13 . -10.124 -11.210 8.847 1.00 78.42 13 A 1 ATOM 108 O O . ALA A 0 13 . -7.563 -9.360 7.728 1.00 78.42 13 A 1 ATOM 109 N N . ILE A 0 14 . -9.091 -8.165 8.845 1.00 71.92 14 A 1 ATOM 110 C CA . ILE A 0 14 . -8.764 -6.896 8.179 1.00 71.92 14 A 1 ATOM 111 C C . ILE A 0 14 . -7.375 -6.406 8.613 1.00 71.92 14 A 1 ATOM 112 C CB . ILE A 0 14 . -9.876 -5.853 8.431 1.00 71.92 14 A 1 ATOM 113 O O . ILE A 0 14 . -6.591 -5.989 7.768 1.00 71.92 14 A 1 ATOM 114 C CG1 . ILE A 0 14 . -11.205 -6.314 7.784 1.00 71.92 14 A 1 ATOM 115 C CG2 . ILE A 0 14 . -9.479 -4.476 7.864 1.00 71.92 14 A 1 ATOM 116 C CD1 . ILE A 0 14 . -12.433 -5.545 8.285 1.00 71.92 14 A 1 ATOM 117 N N . SER A 0 15 . -7.036 -6.514 9.902 1.00 69.61 15 A 1 ATOM 118 C CA . SER A 0 15 . -5.720 -6.124 10.427 1.00 69.61 15 A 1 ATOM 119 C C . SER A 0 15 . -4.577 -6.983 9.887 1.00 69.61 15 A 1 ATOM 120 C CB . SER A 0 15 . -5.733 -6.206 11.956 1.00 69.61 15 A 1 ATOM 121 O O . SER A 0 15 . -3.508 -6.447 9.623 1.00 69.61 15 A 1 ATOM 122 O OG . SER A 0 15 . -4.434 -6.067 12.499 1.00 69.61 15 A 1 ATOM 123 N N . SER A 0 16 . -4.779 -8.292 9.735 1.00 65.38 16 A 1 ATOM 124 C CA . SER A 0 16 . -3.745 -9.198 9.214 1.00 65.38 16 A 1 ATOM 125 C C . SER A 0 16 . -3.539 -9.055 7.707 1.00 65.38 16 A 1 ATOM 126 C CB . SER A 0 16 . -4.054 -10.653 9.578 1.00 65.38 16 A 1 ATOM 127 O O . SER A 0 16 . -2.435 -9.278 7.220 1.00 65.38 16 A 1 ATOM 128 O OG . SER A 0 16 . -5.379 -11.009 9.238 1.00 65.38 16 A 1 ATOM 129 N N . ASN A 0 17 . -4.573 -8.642 6.968 1.00 62.85 17 A 1 ATOM 130 C CA . ASN A 0 17 . -4.469 -8.366 5.535 1.00 62.85 17 A 1 ATOM 131 C C . ASN A 0 17 . -4.005 -6.929 5.230 1.00 62.85 17 A 1 ATOM 132 C CB . ASN A 0 17 . -5.821 -8.704 4.894 1.00 62.85 17 A 1 ATOM 133 O O . ASN A 0 17 . -3.564 -6.630 4.121 1.00 62.85 17 A 1 ATOM 134 C CG . ASN A 0 17 . -5.713 -8.995 3.409 1.00 62.85 17 A 1 ATOM 135 N ND2 . ASN A 0 17 . -6.822 -8.972 2.707 1.00 62.85 17 A 1 ATOM 136 O OD1 . ASN A 0 17 . -4.672 -9.302 2.858 1.00 62.85 17 A 1 ATOM 137 N N . ALA A 0 18 . -4.064 -6.032 6.215 1.00 57.40 18 A 1 ATOM 138 C CA . ALA A 0 18 . -3.491 -4.696 6.143 1.00 57.40 18 A 1 ATOM 139 C C . ALA A 0 18 . -1.969 -4.753 6.356 1.00 57.40 18 A 1 ATOM 140 C CB . ALA A 0 18 . -4.226 -3.780 7.132 1.00 57.40 18 A 1 ATOM 141 O O . ALA A 0 18 . -1.446 -4.204 7.319 1.00 57.40 18 A 1 ATOM 142 N N . ASN A 0 19 . -1.250 -5.420 5.450 1.00 57.39 19 A 1 ATOM 143 C CA . ASN A 0 19 . 0.199 -5.274 5.347 1.00 57.39 19 A 1 ATOM 144 C C . ASN A 0 19 . 0.513 -3.829 4.919 1.00 57.39 19 A 1 ATOM 145 C CB . ASN A 0 19 . 0.769 -6.291 4.335 1.00 57.39 19 A 1 ATOM 146 O O . ASN A 0 19 . 0.196 -3.455 3.783 1.00 57.39 19 A 1 ATOM 147 C CG . ASN A 0 19 . 1.339 -7.540 4.980 1.00 57.39 19 A 1 ATOM 148 N ND2 . ASN A 0 19 . 1.461 -8.610 4.232 1.00 57.39 19 A 1 ATOM 149 O OD1 . ASN A 0 19 . 1.731 -7.574 6.131 1.00 57.39 19 A 1 ATOM 150 N N . PRO A 0 20 . 1.150 -3.007 5.771 1.00 52.81 20 A 1 ATOM 151 C CA . PRO A 0 20 . 1.628 -1.705 5.357 1.00 52.81 20 A 1 ATOM 152 C C . PRO A 0 20 . 2.919 -1.954 4.571 1.00 52.81 20 A 1 ATOM 153 C CB . PRO A 0 20 . 1.823 -0.933 6.666 1.00 52.81 20 A 1 ATOM 154 O O . PRO A 0 20 . 3.952 -2.240 5.157 1.00 52.81 20 A 1 ATOM 155 C CG . PRO A 0 20 . 2.217 -2.012 7.680 1.00 52.81 20 A 1 ATOM 156 C CD . PRO A 0 20 . 1.637 -3.310 7.114 1.00 52.81 20 A 1 ATOM 157 N N . HIS A 0 21 . 2.862 -1.909 3.239 1.00 46.43 21 A 1 ATOM 158 C CA . HIS A 0 21 . 4.042 -2.017 2.367 1.00 46.43 21 A 1 ATOM 159 C C . HIS A 0 21 . 4.866 -3.317 2.529 1.00 46.43 21 A 1 ATOM 160 C CB . HIS A 0 21 . 4.919 -0.762 2.552 1.00 46.43 21 A 1 ATOM 161 O O . HIS A 0 21 . 5.943 -3.323 3.117 1.00 46.43 21 A 1 ATOM 162 C CG . HIS A 0 21 . 4.201 0.528 2.267 1.00 46.43 21 A 1 ATOM 163 C CD2 . HIS A 0 21 . 3.602 1.361 3.175 1.00 46.43 21 A 1 ATOM 164 N ND1 . HIS A 0 21 . 4.039 1.094 1.025 1.00 46.43 21 A 1 ATOM 165 C CE1 . HIS A 0 21 . 3.360 2.241 1.178 1.00 46.43 21 A 1 ATOM 166 N NE2 . HIS A 0 21 . 3.063 2.442 2.469 1.00 46.43 21 A 1 ATOM 167 N N . GLY A 0 22 . 4.414 -4.428 1.941 1.00 42.98 22 A 1 ATOM 168 C CA . GLY A 0 22 . 5.188 -5.675 1.898 1.00 42.98 22 A 1 ATOM 169 C C . GLY A 0 22 . 5.056 -6.386 0.555 1.00 42.98 22 A 1 ATOM 170 O O . GLY A 0 22 . 3.945 -6.525 0.060 1.00 42.98 22 A 1 ATOM 171 N N . TYR A 0 23 . 6.188 -6.848 0.014 1.00 48.91 23 A 1 ATOM 172 C CA . TYR A 0 23 . 6.384 -7.622 -1.228 1.00 48.91 23 A 1 ATOM 173 C C . TYR A 0 23 . 6.695 -6.840 -2.519 1.00 48.91 23 A 1 ATOM 174 C CB . TYR A 0 23 . 5.345 -8.744 -1.422 1.00 48.91 23 A 1 ATOM 175 O O . TYR A 0 23 . 6.140 -7.125 -3.574 1.00 48.91 23 A 1 ATOM 176 C CG . TYR A 0 23 . 5.106 -9.626 -0.212 1.00 48.91 23 A 1 ATOM 177 C CD1 . TYR A 0 23 . 6.099 -10.529 0.213 1.00 48.91 23 A 1 ATOM 178 C CD2 . TYR A 0 23 . 3.881 -9.549 0.480 1.00 48.91 23 A 1 ATOM 179 C CE1 . TYR A 0 23 . 5.871 -11.339 1.342 1.00 48.91 23 A 1 ATOM 180 C CE2 . TYR A 0 23 . 3.652 -10.352 1.611 1.00 48.91 23 A 1 ATOM 181 O OH . TYR A 0 23 . 4.437 -12.040 3.125 1.00 48.91 23 A 1 ATOM 182 C CZ . TYR A 0 23 . 4.650 -11.249 2.043 1.00 48.91 23 A 1 ATOM 183 N N . LEU A 0 24 . 7.698 -5.955 -2.493 1.00 47.86 24 A 1 ATOM 184 C CA . LEU A 0 24 . 8.567 -5.761 -3.667 1.00 47.86 24 A 1 ATOM 185 C C . LEU A 0 24 . 9.763 -6.718 -3.557 1.00 47.86 24 A 1 ATOM 186 C CB . LEU A 0 24 . 8.953 -4.278 -3.843 1.00 47.86 24 A 1 ATOM 187 O O . LEU A 0 24 . 10.891 -6.315 -3.297 1.00 47.86 24 A 1 ATOM 188 C CG . LEU A 0 24 . 7.901 -3.458 -4.612 1.00 47.86 24 A 1 ATOM 189 C CD1 . LEU A 0 24 . 8.169 -1.966 -4.418 1.00 47.86 24 A 1 ATOM 190 C CD2 . LEU A 0 24 . 7.926 -3.745 -6.119 1.00 47.86 24 A 1 ATOM 191 N N . LYS A 0 25 . 9.500 -8.018 -3.726 1.00 44.80 25 A 1 ATOM 192 C CA . LYS A 0 25 . 10.530 -8.969 -4.162 1.00 44.80 25 A 1 ATOM 193 C C . LYS A 0 25 . 10.648 -8.828 -5.679 1.00 44.80 25 A 1 ATOM 194 C CB . LYS A 0 25 . 10.177 -10.417 -3.771 1.00 44.80 25 A 1 ATOM 195 O O . LYS A 0 25 . 10.025 -9.581 -6.416 1.00 44.80 25 A 1 ATOM 196 C CG . LYS A 0 25 . 10.558 -10.803 -2.337 1.00 44.80 25 A 1 ATOM 197 C CD . LYS A 0 25 . 10.328 -12.311 -2.156 1.00 44.80 25 A 1 ATOM 198 C CE . LYS A 0 25 . 10.860 -12.806 -0.810 1.00 44.80 25 A 1 ATOM 199 N NZ . LYS A 0 25 . 10.847 -14.288 -0.755 1.00 44.80 25 A 1 ATOM 200 N N . SER A 0 26 . 11.384 -7.829 -6.149 1.00 52.40 26 A 1 ATOM 201 C CA . SER A 0 26 . 11.892 -7.824 -7.522 1.00 52.40 26 A 1 ATOM 202 C C . SER A 0 26 . 13.380 -8.135 -7.458 1.00 52.40 26 A 1 ATOM 203 C CB . SER A 0 26 . 11.552 -6.531 -8.269 1.00 52.40 26 A 1 ATOM 204 O O . SER A 0 26 . 14.224 -7.245 -7.486 1.00 52.40 26 A 1 ATOM 205 O OG . SER A 0 26 . 12.096 -5.407 -7.615 1.00 52.40 26 A 1 ATOM 206 N N . GLU A 0 27 . 13.679 -9.421 -7.302 1.00 48.52 27 A 1 ATOM 207 C CA . GLU A 0 27 . 14.969 -10.000 -7.664 1.00 48.52 27 A 1 ATOM 208 C C . GLU A 0 27 . 15.113 -9.841 -9.188 1.00 48.52 27 A 1 ATOM 209 C CB . GLU A 0 27 . 14.985 -11.489 -7.250 1.00 48.52 27 A 1 ATOM 210 O O . GLU A 0 27 . 14.617 -10.663 -9.955 1.00 48.52 27 A 1 ATOM 211 C CG . GLU A 0 27 . 14.988 -11.713 -5.724 1.00 48.52 27 A 1 ATOM 212 C CD . GLU A 0 27 . 14.724 -13.175 -5.304 1.00 48.52 27 A 1 ATOM 213 O OE1 . GLU A 0 27 . 14.470 -13.383 -4.091 1.00 48.52 27 A 1 ATOM 214 O OE2 . GLU A 0 27 . 14.701 -14.067 -6.180 1.00 48.52 27 A 1 ATOM 215 N N . ILE A 0 28 . 15.704 -8.737 -9.649 1.00 56.79 28 A 1 ATOM 216 C CA . ILE A 0 28 . 16.157 -8.604 -11.037 1.00 56.79 28 A 1 ATOM 217 C C . ILE A 0 28 . 17.684 -8.692 -10.983 1.00 56.79 28 A 1 ATOM 218 C CB . ILE A 0 28 . 15.652 -7.311 -11.714 1.00 56.79 28 A 1 ATOM 219 O O . ILE A 0 28 . 18.303 -7.819 -10.376 1.00 56.79 28 A 1 ATOM 220 C CG1 . ILE A 0 28 . 14.104 -7.273 -11.728 1.00 56.79 28 A 1 ATOM 221 C CG2 . ILE A 0 28 . 16.201 -7.234 -13.154 1.00 56.79 28 A 1 ATOM 222 C CD1 . ILE A 0 28 . 13.520 -5.916 -12.138 1.00 56.79 28 A 1 ATOM 223 N N . PRO A 0 29 . 18.309 -9.739 -11.548 1.00 52.20 29 A 1 ATOM 224 C CA . PRO A 0 29 . 19.757 -9.872 -11.531 1.00 52.20 29 A 1 ATOM 225 C C . PRO A 0 29 . 20.378 -8.792 -12.424 1.00 52.20 29 A 1 ATOM 226 C CB . PRO A 0 29 . 20.043 -11.304 -11.999 1.00 52.20 29 A 1 ATOM 227 O O . PRO A 0 29 . 20.123 -8.743 -13.626 1.00 52.20 29 A 1 ATOM 228 C CG . PRO A 0 29 . 18.832 -11.657 -12.862 1.00 52.20 29 A 1 ATOM 229 C CD . PRO A 0 29 . 17.690 -10.860 -12.236 1.00 52.20 29 A 1 ATOM 230 N N . GLU A 0 30 . 21.231 -7.956 -11.833 1.00 54.75 30 A 1 ATOM 231 C CA . GLU A 0 30 . 21.974 -6.843 -12.454 1.00 54.75 30 A 1 ATOM 232 C C . GLU A 0 30 . 22.951 -7.276 -13.574 1.00 54.75 30 A 1 ATOM 233 C CB . GLU A 0 30 . 22.713 -6.071 -11.339 1.00 54.75 30 A 1 ATOM 234 O O . GLU A 0 30 . 23.657 -6.455 -14.148 1.00 54.75 30 A 1 ATOM 235 C CG . GLU A 0 30 . 21.754 -5.380 -10.350 1.00 54.75 30 A 1 ATOM 236 C CD . GLU A 0 30 . 22.474 -4.642 -9.205 1.00 54.75 30 A 1 ATOM 237 O OE1 . GLU A 0 30 . 21.878 -3.671 -8.684 1.00 54.75 30 A 1 ATOM 238 O OE2 . GLU A 0 30 . 23.585 -5.078 -8.826 1.00 54.75 30 A 1 ATOM 239 N N . ALA A 0 31 . 22.967 -8.559 -13.946 1.00 52.23 31 A 1 ATOM 240 C CA . ALA A 0 31 . 23.882 -9.151 -14.921 1.00 52.23 31 A 1 ATOM 241 C C . ALA A 0 31 . 23.419 -9.055 -16.395 1.00 52.23 31 A 1 ATOM 242 C CB . ALA A 0 31 . 24.146 -10.597 -14.480 1.00 52.23 31 A 1 ATOM 243 O O . ALA A 0 31 . 24.036 -9.669 -17.261 1.00 52.23 31 A 1 ATOM 244 N N . LEU A 0 32 . 22.335 -8.328 -16.702 1.00 54.29 32 A 1 ATOM 245 C CA . LEU A 0 32 . 21.738 -8.266 -18.053 1.00 54.29 32 A 1 ATOM 246 C C . LEU A 0 32 . 21.872 -6.894 -18.742 1.00 54.29 32 A 1 ATOM 247 C CB . LEU A 0 32 . 20.285 -8.796 -17.984 1.00 54.29 32 A 1 ATOM 248 O O . LEU A 0 32 . 21.307 -6.690 -19.811 1.00 54.29 32 A 1 ATOM 249 C CG . LEU A 0 32 . 19.911 -9.798 -19.101 1.00 54.29 32 A 1 ATOM 250 C CD1 . LEU A 0 32 . 18.845 -10.768 -18.585 1.00 54.29 32 A 1 ATOM 251 C CD2 . LEU A 0 32 . 19.344 -9.143 -20.363 1.00 54.29 32 A 1 ATOM 252 N N . LEU A 0 33 . 22.609 -5.946 -18.156 1.00 53.17 33 A 1 ATOM 253 C CA . LEU A 0 33 . 22.750 -4.580 -18.688 1.00 53.17 33 A 1 ATOM 254 C C . LEU A 0 33 . 24.183 -4.251 -19.125 1.00 53.17 33 A 1 ATOM 255 C CB . LEU A 0 33 . 22.138 -3.563 -17.707 1.00 53.17 33 A 1 ATOM 256 O O . LEU A 0 33 . 24.651 -3.130 -18.947 1.00 53.17 33 A 1 ATOM 257 C CG . LEU A 0 33 . 20.612 -3.684 -17.541 1.00 53.17 33 A 1 ATOM 258 C CD1 . LEU A 0 33 . 20.146 -2.708 -16.461 1.00 53.17 33 A 1 ATOM 259 C CD2 . LEU A 0 33 . 19.845 -3.361 -18.829 1.00 53.17 33 A 1 ATOM 260 N N . ASP A 0 34 . 24.859 -5.224 -19.736 1.00 41.65 34 A 1 ATOM 261 C CA . ASP A 0 34 . 26.112 -5.007 -20.458 1.00 41.65 34 A 1 ATOM 262 C C . ASP A 0 34 . 25.793 -4.854 -21.956 1.00 41.65 34 A 1 ATOM 263 C CB . ASP A 0 34 . 27.116 -6.136 -20.122 1.00 41.65 34 A 1 ATOM 264 O O . ASP A 0 34 . 25.711 -5.820 -22.714 1.00 41.65 34 A 1 ATOM 265 C CG . ASP A 0 34 . 28.544 -5.657 -19.817 1.00 41.65 34 A 1 ATOM 266 O OD1 . ASP A 0 34 . 28.800 -4.433 -19.871 1.00 41.65 34 A 1 ATOM 267 O OD2 . ASP A 0 34 . 29.386 -6.540 -19.542 1.00 41.65 34 A 1 ATOM 268 N N . SER A 0 35 . 25.528 -3.624 -22.398 1.00 49.06 35 A 1 ATOM 269 C CA . SER A 0 35 . 25.461 -3.301 -23.826 1.00 49.06 35 A 1 ATOM 270 C C . SER A 0 35 . 26.091 -1.938 -24.078 1.00 49.06 35 A 1 ATOM 271 C CB . SER A 0 35 . 24.049 -3.450 -24.412 1.00 49.06 35 A 1 ATOM 272 O O . SER A 0 35 . 25.421 -0.905 -24.138 1.00 49.06 35 A 1 ATOM 273 O OG . SER A 0 35 . 23.149 -2.496 -23.892 1.00 49.06 35 A 1 ATOM 274 N N . ASN A 0 36 . 27.417 -1.975 -24.214 1.00 49.28 36 A 1 ATOM 275 C CA . ASN A 0 36 . 28.267 -0.958 -24.823 1.00 49.28 36 A 1 ATOM 276 C C . ASN A 0 36 . 27.774 -0.607 -26.238 1.00 49.28 36 A 1 ATOM 277 C CB . ASN A 0 36 . 29.703 -1.526 -24.889 1.00 49.28 36 A 1 ATOM 278 O O . ASN A 0 36 . 28.337 -1.074 -27.222 1.00 49.28 36 A 1 ATOM 279 C CG . ASN A 0 36 . 30.385 -1.598 -23.542 1.00 49.28 36 A 1 ATOM 280 N ND2 . ASN A 0 36 . 31.041 -2.690 -23.228 1.00 49.28 36 A 1 ATOM 281 O OD1 . ASN A 0 36 . 30.343 -0.661 -22.770 1.00 49.28 36 A 1 ATOM 282 N N . SER A 0 37 . 26.707 0.179 -26.367 1.00 48.29 37 A 1 ATOM 283 C CA . SER A 0 37 . 26.254 0.706 -27.658 1.00 48.29 37 A 1 ATOM 284 C C . SER A 0 37 . 25.100 1.688 -27.470 1.00 48.29 37 A 1 ATOM 285 C CB . SER A 0 37 . 25.790 -0.427 -28.602 1.00 48.29 37 A 1 ATOM 286 O O . SER A 0 37 . 23.950 1.267 -27.462 1.00 48.29 37 A 1 ATOM 287 O OG . SER A 0 37 . 24.785 -1.228 -28.010 1.00 48.29 37 A 1 ATOM 288 N N . PHE A 0 38 . 25.392 2.978 -27.319 1.00 47.44 38 A 1 ATOM 289 C CA . PHE A 0 38 . 24.587 4.093 -27.852 1.00 47.44 38 A 1 ATOM 290 C C . PHE A 0 38 . 25.308 5.393 -27.452 1.00 47.44 38 A 1 ATOM 291 C CB . PHE A 0 38 . 23.104 4.079 -27.398 1.00 47.44 38 A 1 ATOM 292 O O . PHE A 0 38 . 25.133 5.908 -26.355 1.00 47.44 38 A 1 ATOM 293 C CG . PHE A 0 38 . 22.131 4.062 -28.570 1.00 47.44 38 A 1 ATOM 294 C CD1 . PHE A 0 38 . 21.526 5.268 -28.967 1.00 47.44 38 A 1 ATOM 295 C CD2 . PHE A 0 38 . 21.847 2.881 -29.290 1.00 47.44 38 A 1 ATOM 296 C CE1 . PHE A 0 38 . 20.639 5.294 -30.057 1.00 47.44 38 A 1 ATOM 297 C CE2 . PHE A 0 38 . 20.971 2.909 -30.390 1.00 47.44 38 A 1 ATOM 298 C CZ . PHE A 0 38 . 20.363 4.116 -30.772 1.00 47.44 38 A 1 ATOM 299 N N . MET A 0 39 . 26.362 5.776 -28.176 1.00 49.82 39 A 1 ATOM 300 C CA . MET A 0 39 . 26.259 6.781 -29.243 1.00 49.82 39 A 1 ATOM 301 C C . MET A 0 39 . 25.479 8.021 -28.788 1.00 49.82 39 A 1 ATOM 302 C CB . MET A 0 39 . 25.755 6.206 -30.576 1.00 49.82 39 A 1 ATOM 303 O O . MET A 0 39 . 24.256 8.080 -28.861 1.00 49.82 39 A 1 ATOM 304 C CG . MET A 0 39 . 26.854 5.456 -31.344 1.00 49.82 39 A 1 ATOM 305 S SD . MET A 0 39 . 27.794 6.481 -32.516 1.00 49.82 39 A 1 ATOM 306 C CE . MET A 0 39 . 29.434 6.550 -31.745 1.00 49.82 39 A 1 ATOM 307 N N . ASP A 0 40 . 26.264 8.976 -28.299 1.00 44.23 40 A 1 ATOM 308 C CA . ASP A 0 40 . 26.264 10.381 -28.682 1.00 44.23 40 A 1 ATOM 309 C C . ASP A 0 40 . 24.939 11.156 -28.666 1.00 44.23 40 A 1 ATOM 310 C CB . ASP A 0 40 . 27.038 10.538 -30.006 1.00 44.23 40 A 1 ATOM 311 O O . ASP A 0 40 . 24.064 11.027 -29.517 1.00 44.23 40 A 1 ATOM 312 C CG . ASP A 0 40 . 28.502 10.081 -29.899 1.00 44.23 40 A 1 ATOM 313 O OD1 . ASP A 0 40 . 28.985 9.930 -28.753 1.00 44.23 40 A 1 ATOM 314 O OD2 . ASP A 0 40 . 29.122 9.863 -30.960 1.00 44.23 40 A 1 ATOM 315 N N . ASN A 0 41 . 24.932 12.142 -27.766 1.00 48.92 41 A 1 ATOM 316 C CA . ASN A 0 41 . 24.265 13.430 -27.933 1.00 48.92 41 A 1 ATOM 317 C C . ASN A 0 41 . 22.730 13.423 -27.926 1.00 48.92 41 A 1 ATOM 318 C CB . ASN A 0 41 . 24.872 14.152 -29.155 1.00 48.92 41 A 1 ATOM 319 O O . ASN A 0 41 . 22.078 13.731 -28.922 1.00 48.92 41 A 1 ATOM 320 C CG . ASN A 0 41 . 26.358 14.417 -29.014 1.00 48.92 41 A 1 ATOM 321 N ND2 . ASN A 0 41 . 27.061 14.581 -30.108 1.00 48.92 41 A 1 ATOM 322 O OD1 . ASN A 0 41 . 26.897 14.503 -27.924 1.00 48.92 41 A 1 ATOM 323 N N . SER A 0 42 . 22.135 13.266 -26.741 1.00 48.87 42 A 1 ATOM 324 C CA . SER A 0 42 . 20.864 13.947 -26.458 1.00 48.87 42 A 1 ATOM 325 C C . SER A 0 42 . 20.804 14.437 -25.003 1.00 48.87 42 A 1 ATOM 326 C CB . SER A 0 42 . 19.656 13.091 -26.851 1.00 48.87 42 A 1 ATOM 327 O O . SER A 0 42 . 21.277 13.743 -24.102 1.00 48.87 42 A 1 ATOM 328 O OG . SER A 0 42 . 19.458 12.018 -25.960 1.00 48.87 42 A 1 ATOM 329 N N . PRO A 0 43 . 20.301 15.660 -24.744 1.00 50.90 43 A 1 ATOM 330 C CA . PRO A 0 43 . 20.333 16.249 -23.414 1.00 50.90 43 A 1 ATOM 331 C C . PRO A 0 43 . 19.274 15.591 -22.513 1.00 50.90 43 A 1 ATOM 332 C CB . PRO A 0 43 . 20.136 17.750 -23.645 1.00 50.90 43 A 1 ATOM 333 O O . PRO A 0 43 . 18.075 15.630 -22.791 1.00 50.90 43 A 1 ATOM 334 C CG . PRO A 0 43 . 19.272 17.810 -24.903 1.00 50.90 43 A 1 ATOM 335 C CD . PRO A 0 43 . 19.725 16.591 -25.704 1.00 50.90 43 A 1 ATOM 336 N N . TYR A 0 44 . 19.750 15.006 -21.412 1.00 50.11 44 A 1 ATOM 337 C CA . TYR A 0 44 . 19.040 14.196 -20.410 1.00 50.11 44 A 1 ATOM 338 C C . TYR A 0 44 . 18.001 14.952 -19.555 1.00 50.11 44 A 1 ATOM 339 C CB . TYR A 0 44 . 20.107 13.530 -19.512 1.00 50.11 44 A 1 ATOM 340 O O . TYR A 0 44 . 17.956 14.777 -18.340 1.00 50.11 44 A 1 ATOM 341 C CG . TYR A 0 44 . 20.743 12.294 -20.093 1.00 50.11 44 A 1 ATOM 342 C CD1 . TYR A 0 44 . 20.138 11.045 -19.855 1.00 50.11 44 A 1 ATOM 343 C CD2 . TYR A 0 44 . 21.949 12.374 -20.814 1.00 50.11 44 A 1 ATOM 344 C CE1 . TYR A 0 44 . 20.744 9.870 -20.332 1.00 50.11 44 A 1 ATOM 345 C CE2 . TYR A 0 44 . 22.557 11.198 -21.293 1.00 50.11 44 A 1 ATOM 346 O OH . TYR A 0 44 . 22.533 8.801 -21.494 1.00 50.11 44 A 1 ATOM 347 C CZ . TYR A 0 44 . 21.955 9.944 -21.048 1.00 50.11 44 A 1 ATOM 348 N N . TYR A 0 45 . 17.147 15.800 -20.132 1.00 55.98 45 A 1 ATOM 349 C CA . TYR A 0 45 . 16.235 16.601 -19.300 1.00 55.98 45 A 1 ATOM 350 C C . TYR A 0 45 . 14.835 16.031 -19.122 1.00 55.98 45 A 1 ATOM 351 C CB . TYR A 0 45 . 16.299 18.077 -19.682 1.00 55.98 45 A 1 ATOM 352 O O . TYR A 0 45 . 14.237 16.273 -18.082 1.00 55.98 45 A 1 ATOM 353 C CG . TYR A 0 45 . 17.563 18.688 -19.108 1.00 55.98 45 A 1 ATOM 354 C CD1 . TYR A 0 45 . 17.644 18.947 -17.726 1.00 55.98 45 A 1 ATOM 355 C CD2 . TYR A 0 45 . 18.689 18.887 -19.925 1.00 55.98 45 A 1 ATOM 356 C CE1 . TYR A 0 45 . 18.849 19.406 -17.163 1.00 55.98 45 A 1 ATOM 357 C CE2 . TYR A 0 45 . 19.898 19.346 -19.368 1.00 55.98 45 A 1 ATOM 358 O OH . TYR A 0 45 . 21.138 20.045 -17.430 1.00 55.98 45 A 1 ATOM 359 C CZ . TYR A 0 45 . 19.979 19.604 -17.982 1.00 55.98 45 A 1 ATOM 360 N N . TYR A 0 46 . 14.316 15.224 -20.046 1.00 51.11 46 A 1 ATOM 361 C CA . TYR A 0 46 . 12.984 14.637 -19.878 1.00 51.11 46 A 1 ATOM 362 C C . TYR A 0 46 . 12.866 13.325 -20.652 1.00 51.11 46 A 1 ATOM 363 C CB . TYR A 0 46 . 11.894 15.655 -20.290 1.00 51.11 46 A 1 ATOM 364 O O . TYR A 0 46 . 12.185 13.262 -21.676 1.00 51.11 46 A 1 ATOM 365 C CG . TYR A 0 46 . 11.805 16.889 -19.407 1.00 51.11 46 A 1 ATOM 366 C CD1 . TYR A 0 46 . 11.122 16.828 -18.174 1.00 51.11 46 A 1 ATOM 367 C CD2 . TYR A 0 46 . 12.493 18.067 -19.767 1.00 51.11 46 A 1 ATOM 368 C CE1 . TYR A 0 46 . 11.139 17.934 -17.303 1.00 51.11 46 A 1 ATOM 369 C CE2 . TYR A 0 46 . 12.532 19.165 -18.886 1.00 51.11 46 A 1 ATOM 370 O OH . TYR A 0 46 . 11.882 20.152 -16.793 1.00 51.11 46 A 1 ATOM 371 C CZ . TYR A 0 46 . 11.856 19.097 -17.649 1.00 51.11 46 A 1 ATOM 372 N N . GLN A 0 47 . 13.471 12.243 -20.150 1.00 52.31 47 A 1 ATOM 373 C CA . GLN A 0 47 . 13.020 10.910 -20.548 1.00 52.31 47 A 1 ATOM 374 C C . GLN A 0 47 . 11.669 10.672 -19.870 1.00 52.31 47 A 1 ATOM 375 C CB . GLN A 0 47 . 14.077 9.829 -20.287 1.00 52.31 47 A 1 ATOM 376 O O . GLN A 0 47 . 11.558 10.063 -18.809 1.00 52.31 47 A 1 ATOM 377 C CG . GLN A 0 47 . 13.743 8.534 -21.057 1.00 52.31 47 A 1 ATOM 378 C CD . GLN A 0 47 . 14.867 7.503 -20.998 1.00 52.31 47 A 1 ATOM 379 N NE2 . GLN A 0 47 . 14.801 6.441 -21.772 1.00 52.31 47 A 1 ATOM 380 O OE1 . GLN A 0 47 . 15.825 7.631 -20.262 1.00 52.31 47 A 1 ATOM 381 N N . ARG A 0 48 . 10.624 11.250 -20.473 1.00 53.40 48 A 1 ATOM 382 C CA . ARG A 0 48 . 9.228 10.955 -20.171 1.00 53.40 48 A 1 ATOM 383 C C . ARG A 0 48 . 9.066 9.474 -20.473 1.00 53.40 48 A 1 ATOM 384 C CB . ARG A 0 48 . 8.304 11.859 -21.020 1.00 53.40 48 A 1 ATOM 385 O O . ARG A 0 48 . 8.893 9.094 -21.630 1.00 53.40 48 A 1 ATOM 386 C CG . ARG A 0 48 . 7.280 12.627 -20.177 1.00 53.40 48 A 1 ATOM 387 C CD . ARG A 0 48 . 6.426 13.509 -21.098 1.00 53.40 48 A 1 ATOM 388 N NE . ARG A 0 48 . 5.554 14.426 -20.340 1.00 53.40 48 A 1 ATOM 389 N NH1 . ARG A 0 48 . 4.765 15.624 -22.134 1.00 53.40 48 A 1 ATOM 390 N NH2 . ARG A 0 48 . 4.159 16.207 -20.067 1.00 53.40 48 A 1 ATOM 391 C CZ . ARG A 0 48 . 4.830 15.409 -20.849 1.00 53.40 48 A 1 ATOM 392 N N . SER A 0 49 . 9.195 8.643 -19.442 1.00 57.76 49 A 1 ATOM 393 C CA . SER A 0 49 . 8.814 7.244 -19.513 1.00 57.76 49 A 1 ATOM 394 C C . SER A 0 49 . 7.415 7.218 -20.114 1.00 57.76 49 A 1 ATOM 395 C CB . SER A 0 49 . 8.883 6.582 -18.130 1.00 57.76 49 A 1 ATOM 396 O O . SER A 0 49 . 6.476 7.843 -19.610 1.00 57.76 49 A 1 ATOM 397 O OG . SER A 0 49 . 8.259 7.382 -17.145 1.00 57.76 49 A 1 ATOM 398 N N . GLN A 0 50 . 7.308 6.606 -21.290 1.00 59.81 50 A 1 ATOM 399 C CA . GLN A 0 50 . 6.034 6.369 -21.938 1.00 59.81 50 A 1 ATOM 400 C C . GLN A 0 50 . 5.296 5.378 -21.048 1.00 59.81 50 A 1 ATOM 401 C CB . GLN A 0 50 . 6.248 5.834 -23.362 1.00 59.81 50 A 1 ATOM 402 O O . GLN A 0 50 . 5.393 4.168 -21.226 1.00 59.81 50 A 1 ATOM 403 C CG . GLN A 0 50 . 6.723 6.914 -24.348 1.00 59.81 50 A 1 ATOM 404 C CD . GLN A 0 50 . 6.958 6.347 -25.747 1.00 59.81 50 A 1 ATOM 405 N NE2 . GLN A 0 50 . 6.983 7.168 -26.773 1.00 59.81 50 A 1 ATOM 406 O OE1 . GLN A 0 50 . 7.116 5.161 -25.956 1.00 59.81 50 A 1 ATOM 407 N N . PHE A 0 51 . 4.606 5.895 -20.032 1.00 58.44 51 A 1 ATOM 408 C CA . PHE A 0 51 . 3.700 5.091 -19.240 1.00 58.44 51 A 1 ATOM 409 C C . PHE A 0 51 . 2.707 4.465 -20.225 1.00 58.44 51 A 1 ATOM 410 C CB . PHE A 0 51 . 2.997 5.935 -18.172 1.00 58.44 51 A 1 ATOM 411 O O . PHE A 0 51 . 2.078 5.216 -20.986 1.00 58.44 51 A 1 ATOM 412 C CG . PHE A 0 51 . 3.897 6.298 -17.007 1.00 58.44 51 A 1 ATOM 413 C CD1 . PHE A 0 51 . 4.118 5.363 -15.977 1.00 58.44 51 A 1 ATOM 414 C CD2 . PHE A 0 51 . 4.534 7.552 -16.957 1.00 58.44 51 A 1 ATOM 415 C CE1 . PHE A 0 51 . 4.964 5.682 -14.901 1.00 58.44 51 A 1 ATOM 416 C CE2 . PHE A 0 51 . 5.375 7.873 -15.877 1.00 58.44 51 A 1 ATOM 417 C CZ . PHE A 0 51 . 5.591 6.938 -14.849 1.00 58.44 51 A 1 ATOM 418 N N . PRO A 0 52 . 2.581 3.123 -20.274 1.00 59.88 52 A 1 ATOM 419 C CA . PRO A 0 52 . 1.600 2.459 -21.115 1.00 59.88 52 A 1 ATOM 420 C C . PRO A 0 52 . 0.250 3.157 -20.973 1.00 59.88 52 A 1 ATOM 421 C CB . PRO A 0 52 . 1.578 0.986 -20.673 1.00 59.88 52 A 1 ATOM 422 O O . PRO A 0 52 . -0.165 3.498 -19.866 1.00 59.88 52 A 1 ATOM 423 C CG . PRO A 0 52 . 2.417 0.942 -19.396 1.00 59.88 52 A 1 ATOM 424 C CD . PRO A 0 52 . 3.363 2.122 -19.573 1.00 59.88 52 A 1 ATOM 425 N N . LYS A 0 53 . -0.430 3.405 -22.100 1.00 59.69 53 A 1 ATOM 426 C CA . LYS A 0 53 . -1.690 4.173 -22.141 1.00 59.69 53 A 1 ATOM 427 C C . LYS A 0 53 . -2.737 3.655 -21.146 1.00 59.69 53 A 1 ATOM 428 C CB . LYS A 0 53 . -2.267 4.173 -23.568 1.00 59.69 53 A 1 ATOM 429 O O . LYS A 0 53 . -3.529 4.456 -20.655 1.00 59.69 53 A 1 ATOM 430 C CG . LYS A 0 53 . -1.561 5.163 -24.510 1.00 59.69 53 A 1 ATOM 431 C CD . LYS A 0 53 . -2.189 5.104 -25.912 1.00 59.69 53 A 1 ATOM 432 C CE . LYS A 0 53 . -1.549 6.128 -26.859 1.00 59.69 53 A 1 ATOM 433 N NZ . LYS A 0 53 . -2.087 6.010 -28.241 1.00 59.69 53 A 1 ATOM 434 N N . TRP A 0 54 . -2.691 2.363 -20.803 1.00 60.50 54 A 1 ATOM 435 C CA . TRP A 0 54 . -3.516 1.776 -19.743 1.00 60.50 54 A 1 ATOM 436 C C . TRP A 0 54 . -3.208 2.398 -18.378 1.00 60.50 54 A 1 ATOM 437 C CB . TRP A 0 54 . -3.417 0.228 -19.768 1.00 60.50 54 A 1 ATOM 438 O O . TRP A 0 54 . -4.128 2.722 -17.633 1.00 60.50 54 A 1 ATOM 439 C CG . TRP A 0 54 . -2.909 -0.548 -18.572 1.00 60.50 54 A 1 ATOM 440 C CD1 . TRP A 0 54 . -3.028 -0.236 -17.256 1.00 60.50 54 A 1 ATOM 441 C CD2 . TRP A 0 54 . -2.355 -1.905 -18.560 1.00 60.50 54 A 1 ATOM 442 C CE2 . TRP A 0 54 . -2.105 -2.290 -17.208 1.00 60.50 54 A 1 ATOM 443 C CE3 . TRP A 0 54 . -2.104 -2.882 -19.547 1.00 60.50 54 A 1 ATOM 444 N NE1 . TRP A 0 54 . -2.460 -1.201 -16.466 1.00 60.50 54 A 1 ATOM 445 C CH2 . TRP A 0 54 . -1.399 -4.499 -17.847 1.00 60.50 54 A 1 ATOM 446 C CZ2 . TRP A 0 54 . -1.632 -3.552 -16.842 1.00 60.50 54 A 1 ATOM 447 C CZ3 . TRP A 0 54 . -1.634 -4.163 -19.193 1.00 60.50 54 A 1 ATOM 448 N N . TRP A 0 55 . -1.937 2.582 -18.009 1.00 55.22 55 A 1 ATOM 449 C CA . TRP A 0 55 . -1.569 3.109 -16.690 1.00 55.22 55 A 1 ATOM 450 C C . TRP A 0 55 . -2.058 4.537 -16.500 1.00 55.22 55 A 1 ATOM 451 C CB . TRP A 0 55 . -0.051 3.030 -16.453 1.00 55.22 55 A 1 ATOM 452 O O . TRP A 0 55 . -2.465 4.903 -15.401 1.00 55.22 55 A 1 ATOM 453 C CG . TRP A 0 55 . 0.392 2.116 -15.353 1.00 55.22 55 A 1 ATOM 454 C CD1 . TRP A 0 55 . -0.308 1.770 -14.244 1.00 55.22 55 A 1 ATOM 455 C CD2 . TRP A 0 55 . 1.680 1.447 -15.222 1.00 55.22 55 A 1 ATOM 456 C CE2 . TRP A 0 55 . 1.663 0.638 -14.050 1.00 55.22 55 A 1 ATOM 457 C CE3 . TRP A 0 55 . 2.875 1.470 -15.964 1.00 55.22 55 A 1 ATOM 458 N NE1 . TRP A 0 55 . 0.429 0.880 -13.488 1.00 55.22 55 A 1 ATOM 459 C CH2 . TRP A 0 55 . 3.915 -0.144 -14.463 1.00 55.22 55 A 1 ATOM 460 C CZ2 . TRP A 0 55 . 2.754 -0.154 -13.670 1.00 55.22 55 A 1 ATOM 461 C CZ3 . TRP A 0 55 . 3.978 0.675 -15.604 1.00 55.22 55 A 1 ATOM 462 N N . LYS A 0 56 . -2.092 5.319 -17.584 1.00 55.63 56 A 1 ATOM 463 C CA . LYS A 0 56 . -2.671 6.660 -17.576 1.00 55.63 56 A 1 ATOM 464 C C . LYS A 0 56 . -4.180 6.625 -17.322 1.00 55.63 56 A 1 ATOM 465 C CB . LYS A 0 56 . -2.303 7.380 -18.879 1.00 55.63 56 A 1 ATOM 466 O O . LYS A 0 56 . -4.653 7.412 -16.521 1.00 55.63 56 A 1 ATOM 467 C CG . LYS A 0 56 . -2.494 8.891 -18.717 1.00 55.63 56 A 1 ATOM 468 C CD . LYS A 0 56 . -2.165 9.637 -20.010 1.00 55.63 56 A 1 ATOM 469 C CE . LYS A 0 56 . -2.405 11.126 -19.755 1.00 55.63 56 A 1 ATOM 470 N NZ . LYS A 0 56 . -2.379 11.911 -21.007 1.00 55.63 56 A 1 ATOM 471 N N . THR A 0 57 . -4.916 5.677 -17.906 1.00 56.16 57 A 1 ATOM 472 C CA . THR A 0 57 . -6.375 5.550 -17.706 1.00 56.16 57 A 1 ATOM 473 C C . THR A 0 57 . -6.749 4.957 -16.345 1.00 56.16 57 A 1 ATOM 474 C CB . THR A 0 57 . -7.052 4.733 -18.828 1.00 56.16 57 A 1 ATOM 475 O O . THR A 0 57 . -7.776 5.323 -15.781 1.00 56.16 57 A 1 ATOM 476 C CG2 . THR A 0 57 . -7.825 5.636 -19.782 1.00 56.16 57 A 1 ATOM 477 O OG1 . THR A 0 57 . -6.133 4.006 -19.618 1.00 56.16 57 A 1 ATOM 478 N N . ILE A 0 58 . -5.913 4.087 -15.770 1.00 57.84 58 A 1 ATOM 479 C CA . ILE A 0 58 . -6.139 3.516 -14.430 1.00 57.84 58 A 1 ATOM 480 C C . ILE A 0 58 . -5.757 4.511 -13.316 1.00 57.84 58 A 1 ATOM 481 C CB . ILE A 0 58 . -5.446 2.135 -14.316 1.00 57.84 58 A 1 ATOM 482 O O . ILE A 0 58 . -6.430 4.551 -12.285 1.00 57.84 58 A 1 ATOM 483 C CG1 . ILE A 0 58 . -6.111 1.154 -15.316 1.00 57.84 58 A 1 ATOM 484 C CG2 . ILE A 0 58 . -5.517 1.581 -12.880 1.00 57.84 58 A 1 ATOM 485 C CD1 . ILE A 0 58 . -5.597 -0.287 -15.243 1.00 57.84 58 A 1 ATOM 486 N N . ASN A 0 59 . -4.751 5.366 -13.546 1.00 55.76 59 A 1 ATOM 487 C CA . ASN A 0 59 . -4.304 6.398 -12.598 1.00 55.76 59 A 1 ATOM 488 C C . ASN A 0 59 . -4.885 7.801 -12.862 1.00 55.76 59 A 1 ATOM 489 C CB . ASN A 0 59 . -2.766 6.414 -12.527 1.00 55.76 59 A 1 ATOM 490 O O . ASN A 0 59 . -4.618 8.718 -12.091 1.00 55.76 59 A 1 ATOM 491 C CG . ASN A 0 59 . -2.173 5.189 -11.852 1.00 55.76 59 A 1 ATOM 492 N ND2 . ASN A 0 59 . -0.888 4.969 -12.003 1.00 55.76 59 A 1 ATOM 493 O OD1 . ASN A 0 59 . -2.829 4.433 -11.158 1.00 55.76 59 A 1 ATOM 494 N N . GLU A 0 60 . -5.716 7.983 -13.894 1.00 55.97 60 A 1 ATOM 495 C CA . GLU A 0 60 . -6.495 9.214 -14.132 1.00 55.97 60 A 1 ATOM 496 C C . GLU A 0 60 . -7.690 9.365 -13.181 1.00 55.97 60 A 1 ATOM 497 C CB . GLU A 0 60 . -6.945 9.319 -15.603 1.00 55.97 60 A 1 ATOM 498 O O . GLU A 0 60 . -8.425 10.355 -13.253 1.00 55.97 60 A 1 ATOM 499 C CG . GLU A 0 60 . -6.024 10.258 -16.403 1.00 55.97 60 A 1 ATOM 500 C CD . GLU A 0 60 . -6.302 10.271 -17.917 1.00 55.97 60 A 1 ATOM 501 O OE1 . GLU A 0 60 . -5.492 10.907 -18.644 1.00 55.97 60 A 1 ATOM 502 O OE2 . GLU A 0 60 . -7.286 9.641 -18.361 1.00 55.97 60 A 1 ATOM 503 N N . LYS A 0 61 . -7.865 8.437 -12.230 1.00 57.74 61 A 1 ATOM 504 C CA . LYS A 0 61 . -8.664 8.700 -11.033 1.00 57.74 61 A 1 ATOM 505 C C . LYS A 0 61 . -8.052 9.904 -10.325 1.00 57.74 61 A 1 ATOM 506 C CB . LYS A 0 61 . -8.719 7.471 -10.116 1.00 57.74 61 A 1 ATOM 507 O O . LYS A 0 61 . -7.068 9.769 -9.608 1.00 57.74 61 A 1 ATOM 508 C CG . LYS A 0 61 . -9.642 6.391 -10.693 1.00 57.74 61 A 1 ATOM 509 C CD . LYS A 0 61 . -9.795 5.233 -9.702 1.00 57.74 61 A 1 ATOM 510 C CE . LYS A 0 61 . -10.739 4.176 -10.282 1.00 57.74 61 A 1 ATOM 511 N NZ . LYS A 0 61 . -10.910 3.035 -9.348 1.00 57.74 61 A 1 ATOM 512 N N . ARG A 0 62 . -8.634 11.078 -10.600 1.00 55.30 62 A 1 ATOM 513 C CA . ARG A 0 62 . -8.367 12.377 -9.979 1.00 55.30 62 A 1 ATOM 514 C C . ARG A 0 62 . -7.987 12.174 -8.517 1.00 55.30 62 A 1 ATOM 515 C CB . ARG A 0 62 . -9.630 13.257 -10.067 1.00 55.30 62 A 1 ATOM 516 O O . ARG A 0 62 . -8.854 11.981 -7.667 1.00 55.30 62 A 1 ATOM 517 C CG . ARG A 0 62 . -9.704 14.146 -11.314 1.00 55.30 62 A 1 ATOM 518 C CD . ARG A 0 62 . -11.079 14.828 -11.351 1.00 55.30 62 A 1 ATOM 519 N NE . ARG A 0 62 . -11.112 16.026 -12.212 1.00 55.30 62 A 1 ATOM 520 N NH1 . ARG A 0 62 . -13.369 16.433 -12.047 1.00 55.30 62 A 1 ATOM 521 N NH2 . ARG A 0 62 . -12.073 17.861 -13.166 1.00 55.30 62 A 1 ATOM 522 C CZ . ARG A 0 62 . -12.179 16.764 -12.470 1.00 55.30 62 A 1 ATOM 523 N N . TRP A 0 63 . -6.691 12.254 -8.240 1.00 59.55 63 A 1 ATOM 524 C CA . TRP A 0 63 . -6.201 12.500 -6.899 1.00 59.55 63 A 1 ATOM 525 C C . TRP A 0 63 . -6.600 13.932 -6.573 1.00 59.55 63 A 1 ATOM 526 C CB . TRP A 0 63 . -4.692 12.249 -6.831 1.00 59.55 63 A 1 ATOM 527 O O . TRP A 0 63 . -5.895 14.887 -6.892 1.00 59.55 63 A 1 ATOM 528 C CG . TRP A 0 63 . -4.306 10.809 -6.970 1.00 59.55 63 A 1 ATOM 529 C CD1 . TRP A 0 63 . -4.046 10.164 -8.131 1.00 59.55 63 A 1 ATOM 530 C CD2 . TRP A 0 63 . -4.175 9.801 -5.919 1.00 59.55 63 A 1 ATOM 531 C CE2 . TRP A 0 63 . -3.810 8.561 -6.526 1.00 59.55 63 A 1 ATOM 532 C CE3 . TRP A 0 63 . -4.335 9.808 -4.516 1.00 59.55 63 A 1 ATOM 533 N NE1 . TRP A 0 63 . -3.748 8.841 -7.873 1.00 59.55 63 A 1 ATOM 534 C CH2 . TRP A 0 63 . -3.761 7.434 -4.386 1.00 59.55 63 A 1 ATOM 535 C CZ2 . TRP A 0 63 . -3.602 7.391 -5.782 1.00 59.55 63 A 1 ATOM 536 C CZ3 . TRP A 0 63 . -4.130 8.638 -3.758 1.00 59.55 63 A 1 ATOM 537 N N . PHE A 0 64 . -7.801 14.100 -6.026 1.00 59.95 64 A 1 ATOM 538 C CA . PHE A 0 64 . -8.114 15.328 -5.325 1.00 59.95 64 A 1 ATOM 539 C C . PHE A 0 64 . -7.174 15.383 -4.122 1.00 59.95 64 A 1 ATOM 540 C CB . PHE A 0 64 . -9.585 15.354 -4.906 1.00 59.95 64 A 1 ATOM 541 O O . PHE A 0 64 . -7.105 14.392 -3.389 1.00 59.95 64 A 1 ATOM 542 C CG . PHE A 0 64 . -10.528 15.568 -6.071 1.00 59.95 64 A 1 ATOM 543 C CD1 . PHE A 0 64 . -10.737 16.868 -6.566 1.00 59.95 64 A 1 ATOM 544 C CD2 . PHE A 0 64 . -11.197 14.479 -6.659 1.00 59.95 64 A 1 ATOM 545 C CE1 . PHE A 0 64 . -11.637 17.086 -7.623 1.00 59.95 64 A 1 ATOM 546 C CE2 . PHE A 0 64 . -12.106 14.697 -7.710 1.00 59.95 64 A 1 ATOM 547 C CZ . PHE A 0 64 . -12.337 16.003 -8.180 1.00 59.95 64 A 1 ATOM 548 N N . PRO A 0 65 . -6.433 16.484 -3.907 1.00 60.57 65 A 1 ATOM 549 C CA . PRO A 0 65 . -5.716 16.656 -2.660 1.00 60.57 65 A 1 ATOM 550 C C . PRO A 0 65 . -6.774 16.695 -1.561 1.00 60.57 65 A 1 ATOM 551 C CB . PRO A 0 65 . -4.915 17.953 -2.812 1.00 60.57 65 A 1 ATOM 552 O O . PRO A 0 65 . -7.475 17.694 -1.389 1.00 60.57 65 A 1 ATOM 553 C CG . PRO A 0 65 . -5.701 18.752 -3.852 1.00 60.57 65 A 1 ATOM 554 C CD . PRO A 0 65 . -6.339 17.678 -4.733 1.00 60.57 65 A 1 ATOM 555 N N . ILE A 0 66 . -6.937 15.575 -0.857 1.00 58.25 66 A 1 ATOM 556 C CA . ILE A 0 66 . -7.692 15.530 0.384 1.00 58.25 66 A 1 ATOM 557 C C . ILE A 0 66 . -6.874 16.400 1.329 1.00 58.25 66 A 1 ATOM 558 C CB . ILE A 0 66 . -7.891 14.080 0.891 1.00 58.25 66 A 1 ATOM 559 O O . ILE A 0 66 . -5.870 15.964 1.886 1.00 58.25 66 A 1 ATOM 560 C CG1 . ILE A 0 66 . -8.675 13.241 -0.148 1.00 58.25 66 A 1 ATOM 561 C CG2 . ILE A 0 66 . -8.631 14.092 2.243 1.00 58.25 66 A 1 ATOM 562 C CD1 . ILE A 0 66 . -8.756 11.745 0.183 1.00 58.25 66 A 1 ATOM 563 N N . LYS A 0 67 . -7.253 17.676 1.447 1.00 62.88 67 A 1 ATOM 564 C CA . LYS A 0 67 . -6.844 18.466 2.599 1.00 62.88 67 A 1 ATOM 565 C C . LYS A 0 67 . -7.441 17.745 3.797 1.00 62.88 67 A 1 ATOM 566 C CB . LYS A 0 67 . -7.333 19.920 2.507 1.00 62.88 67 A 1 ATOM 567 O O . LYS A 0 67 . -8.640 17.847 4.046 1.00 62.88 67 A 1 ATOM 568 C CG . LYS A 0 67 . -6.478 20.796 1.578 1.00 62.88 67 A 1 ATOM 569 C CD . LYS A 0 67 . -6.926 22.258 1.712 1.00 62.88 67 A 1 ATOM 570 C CE . LYS A 0 67 . -6.068 23.210 0.873 1.00 62.88 67 A 1 ATOM 571 N NZ . LYS A 0 67 . -6.496 24.615 1.088 1.00 62.88 67 A 1 ATOM 572 N N . GLU A 0 68 . -6.616 16.968 4.488 1.00 59.22 68 A 1 ATOM 573 C CA . GLU A 0 68 . -6.923 16.481 5.823 1.00 59.22 68 A 1 ATOM 574 C C . GLU A 0 68 . -7.048 17.710 6.733 1.00 59.22 68 A 1 ATOM 575 C CB . GLU A 0 68 . -5.836 15.514 6.332 1.00 59.22 68 A 1 ATOM 576 O O . GLU A 0 68 . -6.082 18.156 7.349 1.00 59.22 68 A 1 ATOM 577 C CG . GLU A 0 68 . -5.821 14.150 5.626 1.00 59.22 68 A 1 ATOM 578 C CD . GLU A 0 68 . -4.837 13.147 6.270 1.00 59.22 68 A 1 ATOM 579 O OE1 . GLU A 0 68 . -4.664 12.067 5.669 1.00 59.22 68 A 1 ATOM 580 O OE2 . GLU A 0 68 . -4.290 13.419 7.378 1.00 59.22 68 A 1 ATOM 581 N N . TYR A 0 69 . -8.239 18.308 6.781 1.00 55.77 69 A 1 ATOM 582 C CA . TYR A 0 69 . -8.594 19.262 7.821 1.00 55.77 69 A 1 ATOM 583 C C . TYR A 0 69 . -8.742 18.470 9.121 1.00 55.77 69 A 1 ATOM 584 C CB . TYR A 0 69 . -9.847 20.061 7.438 1.00 55.77 69 A 1 ATOM 585 O O . TYR A 0 69 . -9.798 17.926 9.440 1.00 55.77 69 A 1 ATOM 586 C CG . TYR A 0 69 . -9.572 21.190 6.458 1.00 55.77 69 A 1 ATOM 587 C CD1 . TYR A 0 69 . -9.115 22.433 6.937 1.00 55.77 69 A 1 ATOM 588 C CD2 . TYR A 0 69 . -9.780 21.009 5.076 1.00 55.77 69 A 1 ATOM 589 C CE1 . TYR A 0 69 . -8.867 23.493 6.045 1.00 55.77 69 A 1 ATOM 590 C CE2 . TYR A 0 69 . -9.535 22.067 4.178 1.00 55.77 69 A 1 ATOM 591 O OH . TYR A 0 69 . -8.824 24.337 3.801 1.00 55.77 69 A 1 ATOM 592 C CZ . TYR A 0 69 . -9.074 23.310 4.661 1.00 55.77 69 A 1 ATOM 593 N N . ARG A 0 70 . -7.629 18.344 9.845 1.00 57.72 70 A 1 ATOM 594 C CA . ARG A 0 70 . -7.592 17.803 11.203 1.00 57.72 70 A 1 ATOM 595 C C . ARG A 0 70 . -8.063 18.895 12.168 1.00 57.72 70 A 1 ATOM 596 C CB . ARG A 0 70 . -6.178 17.289 11.534 1.00 57.72 70 A 1 ATOM 597 O O . ARG A 0 70 . -7.267 19.729 12.574 1.00 57.72 70 A 1 ATOM 598 C CG . ARG A 0 70 . -5.772 16.077 10.682 1.00 57.72 70 A 1 ATOM 599 C CD . ARG A 0 70 . -4.443 15.495 11.175 1.00 57.72 70 A 1 ATOM 600 N NE . ARG A 0 70 . -4.020 14.354 10.343 1.00 57.72 70 A 1 ATOM 601 N NH1 . ARG A 0 70 . -2.468 13.426 11.770 1.00 57.72 70 A 1 ATOM 602 N NH2 . ARG A 0 70 . -2.889 12.515 9.753 1.00 57.72 70 A 1 ATOM 603 C CZ . ARG A 0 70 . -3.126 13.434 10.638 1.00 57.72 70 A 1 ATOM 604 N N . GLY A 0 71 . -9.352 18.864 12.519 1.00 54.92 71 A 1 ATOM 605 C CA . GLY A 0 71 . -9.982 19.760 13.502 1.00 54.92 71 A 1 ATOM 606 C C . GLY A 0 71 . -10.329 21.125 12.910 1.00 54.92 71 A 1 ATOM 607 O O . GLY A 0 71 . -9.559 21.697 12.154 1.00 54.92 71 A 1 ATOM 608 N N . GLY A 0 72 . -11.479 21.730 13.139 1.00 52.48 72 A 1 ATOM 609 C CA . GLY A 0 72 . -12.695 21.494 13.918 1.00 52.48 72 A 1 ATOM 610 C C . GLY A 0 72 . -13.621 22.663 13.525 1.00 52.48 72 A 1 ATOM 611 O O . GLY A 0 72 . -13.157 23.563 12.824 1.00 52.48 72 A 1 ATOM 612 N N . LEU A 0 73 . -14.909 22.657 13.882 1.00 54.11 73 A 1 ATOM 613 C CA . LEU A 0 73 . -15.815 23.786 13.598 1.00 54.11 73 A 1 ATOM 614 C C . LEU A 0 73 . -15.131 25.126 13.921 1.00 54.11 73 A 1 ATOM 615 C CB . LEU A 0 73 . -17.103 23.640 14.438 1.00 54.11 73 A 1 ATOM 616 O O . LEU A 0 73 . -14.826 25.404 15.077 1.00 54.11 73 A 1 ATOM 617 C CG . LEU A 0 73 . -18.283 22.996 13.682 1.00 54.11 73 A 1 ATOM 618 C CD1 . LEU A 0 73 . -18.806 21.761 14.415 1.00 54.11 73 A 1 ATOM 619 C CD2 . LEU A 0 73 . -19.433 23.992 13.531 1.00 54.11 73 A 1 ATOM 620 N N . MET A 0 74 . -14.849 25.922 12.891 1.00 54.03 74 A 1 ATOM 621 C CA . MET A 0 74 . -14.352 27.278 13.062 1.00 54.03 74 A 1 ATOM 622 C C . MET A 0 74 . -15.579 28.169 13.242 1.00 54.03 74 A 1 ATOM 623 C CB . MET A 0 74 . -13.441 27.647 11.879 1.00 54.03 74 A 1 ATOM 624 O O . MET A 0 74 . -16.197 28.580 12.265 1.00 54.03 74 A 1 ATOM 625 C CG . MET A 0 74 . -12.717 28.984 12.066 1.00 54.03 74 A 1 ATOM 626 S SD . MET A 0 74 . -11.342 29.213 10.895 1.00 54.03 74 A 1 ATOM 627 C CE . MET A 0 74 . -11.661 30.919 10.377 1.00 54.03 74 A 1 ATOM 628 N N . GLU A 0 75 . -15.969 28.383 14.497 1.00 45.65 75 A 1 ATOM 629 C CA . GLU A 0 75 . -16.819 29.508 14.888 1.00 45.65 75 A 1 ATOM 630 C C . GLU A 0 75 . -15.932 30.759 14.993 1.00 45.65 75 A 1 ATOM 631 C CB . GLU A 0 75 . -17.526 29.228 16.232 1.00 45.65 75 A 1 ATOM 632 O O . GLU A 0 75 . -15.124 30.864 15.915 1.00 45.65 75 A 1 ATOM 633 C CG . GLU A 0 75 . -18.685 28.222 16.127 1.00 45.65 75 A 1 ATOM 634 C CD . GLU A 0 75 . -19.441 28.009 17.456 1.00 45.65 75 A 1 ATOM 635 O OE1 . GLU A 0 75 . -20.569 27.465 17.388 1.00 45.65 75 A 1 ATOM 636 O OE2 . GLU A 0 75 . -18.890 28.340 18.531 1.00 45.65 75 A 1 ATOM 637 N N . VAL A 0 76 . -16.065 31.676 14.028 1.00 46.38 76 A 1 ATOM 638 C CA . VAL A 0 76 . -15.869 33.133 14.175 1.00 46.38 76 A 1 ATOM 639 C C . VAL A 0 76 . -16.916 33.818 13.309 1.00 46.38 76 A 1 ATOM 640 C CB . VAL A 0 76 . -14.466 33.640 13.797 1.00 46.38 76 A 1 ATOM 641 O O . VAL A 0 76 . -17.029 33.416 12.128 1.00 46.38 76 A 1 ATOM 642 C CG1 . VAL A 0 76 . -14.358 35.151 14.063 1.00 46.38 76 A 1 ATOM 643 C CG2 . VAL A 0 76 . -13.352 32.972 14.611 1.00 46.38 76 A 1 ATOM 644 O OXT . VAL A 0 76 . -17.585 34.712 13.859 1.00 46.38 76 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 58.61 # loop_ _atom_type.symbol C N O S #