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 LYS 0 3 GLN 0 4 SER 0 5 THR 0 6 LEU 0 7 ASP 0 8 CYS 0 9 LEU 0 10 ALA 0 11 ILE 0 12 PHE 0 13 TYR 0 14 VAL 0 15 ILE 0 16 LEU 0 17 ILE 0 18 LEU 0 19 VAL 0 20 ILE 0 21 SER 0 22 SER 0 23 ILE 0 24 TYR 0 25 ALA 0 26 GLY 0 27 SER 0 28 SER 0 29 THR 0 30 GLY 0 31 GLU 0 32 SER 0 33 GLN 0 34 LYS 0 35 PRO 0 36 ARG 0 37 LYS 0 38 PRO 0 39 LYS 0 40 ASN 0 41 HIS 0 42 ALA 0 43 TRP 0 44 ASP 0 45 PHE 0 46 ASP 0 47 GLY 0 48 LEU 0 49 TYR 0 50 CYS 0 51 LYS 0 52 LEU 0 53 LEU 0 54 PHE 0 55 MET 0 56 PHE 0 57 HIS 0 58 LEU # 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 . 12.750 1.166 -20.429 1.00 55.19 1 A 1 ATOM 2 C CA . MET A 0 1 . 11.342 0.707 -20.370 1.00 55.19 1 A 1 ATOM 3 C C . MET A 0 1 . 10.892 0.313 -18.950 1.00 55.19 1 A 1 ATOM 4 C CB . MET A 0 1 . 11.126 -0.466 -21.350 1.00 55.19 1 A 1 ATOM 5 O O . MET A 0 1 . 10.019 -0.528 -18.824 1.00 55.19 1 A 1 ATOM 6 C CG . MET A 0 1 . 11.369 -0.095 -22.816 1.00 55.19 1 A 1 ATOM 7 S SD . MET A 0 1 . 11.063 -1.491 -23.922 1.00 55.19 1 A 1 ATOM 8 C CE . MET A 0 1 . 11.274 -0.693 -25.536 1.00 55.19 1 A 1 ATOM 9 N N . LYS A 0 2 . 11.451 0.893 -17.870 1.00 61.54 2 A 1 ATOM 10 C CA . LYS A 0 2 . 11.062 0.535 -16.485 1.00 61.54 2 A 1 ATOM 11 C C . LYS A 0 2 . 9.955 1.428 -15.903 1.00 61.54 2 A 1 ATOM 12 C CB . LYS A 0 2 . 12.294 0.511 -15.559 1.00 61.54 2 A 1 ATOM 13 O O . LYS A 0 2 . 9.213 0.973 -15.043 1.00 61.54 2 A 1 ATOM 14 C CG . LYS A 0 2 . 13.258 -0.649 -15.872 1.00 61.54 2 A 1 ATOM 15 C CD . LYS A 0 2 . 14.414 -0.688 -14.858 1.00 61.54 2 A 1 ATOM 16 C CE . LYS A 0 2 . 15.336 -1.893 -15.103 1.00 61.54 2 A 1 ATOM 17 N NZ . LYS A 0 2 . 16.470 -1.916 -14.141 1.00 61.54 2 A 1 ATOM 18 N N . GLN A 0 3 . 9.820 2.656 -16.411 1.00 63.27 3 A 1 ATOM 19 C CA . GLN A 0 3 . 8.874 3.645 -15.889 1.00 63.27 3 A 1 ATOM 20 C C . GLN A 0 3 . 7.414 3.197 -16.031 1.00 63.27 3 A 1 ATOM 21 C CB . GLN A 0 3 . 9.128 4.990 -16.595 1.00 63.27 3 A 1 ATOM 22 O O . GLN A 0 3 . 6.674 3.198 -15.057 1.00 63.27 3 A 1 ATOM 23 C CG . GLN A 0 3 . 8.441 6.158 -15.871 1.00 63.27 3 A 1 ATOM 24 C CD . GLN A 0 3 . 8.933 6.315 -14.437 1.00 63.27 3 A 1 ATOM 25 N NE2 . GLN A 0 3 . 8.064 6.631 -13.504 1.00 63.27 3 A 1 ATOM 26 O OE1 . GLN A 0 3 . 10.102 6.090 -14.153 1.00 63.27 3 A 1 ATOM 27 N N . SER A 0 4 . 7.040 2.674 -17.203 1.00 69.57 4 A 1 ATOM 28 C CA . SER A 0 4 . 5.657 2.271 -17.481 1.00 69.57 4 A 1 ATOM 29 C C . SER A 0 4 . 5.132 1.203 -16.515 1.00 69.57 4 A 1 ATOM 30 C CB . SER A 0 4 . 5.550 1.759 -18.922 1.00 69.57 4 A 1 ATOM 31 O O . SER A 0 4 . 3.968 1.241 -16.137 1.00 69.57 4 A 1 ATOM 32 O OG . SER A 0 4 . 6.164 2.675 -19.816 1.00 69.57 4 A 1 ATOM 33 N N . THR A 0 5 . 5.979 0.267 -16.068 1.00 74.00 5 A 1 ATOM 34 C CA . THR A 0 5 . 5.579 -0.753 -15.085 1.00 74.00 5 A 1 ATOM 35 C C . THR A 0 5 . 5.333 -0.147 -13.703 1.00 74.00 5 A 1 ATOM 36 C CB . THR A 0 5 . 6.642 -1.857 -14.969 1.00 74.00 5 A 1 ATOM 37 O O . THR A 0 5 . 4.386 -0.548 -13.031 1.00 74.00 5 A 1 ATOM 38 C CG2 . THR A 0 5 . 6.161 -3.067 -14.168 1.00 74.00 5 A 1 ATOM 39 O OG1 . THR A 0 5 . 7.000 -2.338 -16.246 1.00 74.00 5 A 1 ATOM 40 N N . LEU A 0 6 . 6.156 0.820 -13.281 1.00 74.97 6 A 1 ATOM 41 C CA . LEU A 0 6 . 5.998 1.511 -11.997 1.00 74.97 6 A 1 ATOM 42 C C . LEU A 0 6 . 4.721 2.359 -11.976 1.00 74.97 6 A 1 ATOM 43 C CB . LEU A 0 6 . 7.241 2.376 -11.718 1.00 74.97 6 A 1 ATOM 44 O O . LEU A 0 6 . 3.967 2.291 -11.006 1.00 74.97 6 A 1 ATOM 45 C CG . LEU A 0 6 . 8.483 1.563 -11.315 1.00 74.97 6 A 1 ATOM 46 C CD1 . LEU A 0 6 . 9.740 2.424 -11.430 1.00 74.97 6 A 1 ATOM 47 C CD2 . LEU A 0 6 . 8.378 1.054 -9.874 1.00 74.97 6 A 1 ATOM 48 N N . ASP A 0 7 . 4.433 3.064 -13.071 1.00 73.35 7 A 1 ATOM 49 C CA . ASP A 0 7 . 3.207 3.854 -13.213 1.00 73.35 7 A 1 ATOM 50 C C . ASP A 0 7 . 1.961 2.951 -13.152 1.00 73.35 7 A 1 ATOM 51 C CB . ASP A 0 7 . 3.235 4.646 -14.532 1.00 73.35 7 A 1 ATOM 52 O O . ASP A 0 7 . 1.022 3.221 -12.401 1.00 73.35 7 A 1 ATOM 53 C CG . ASP A 0 7 . 4.436 5.591 -14.699 1.00 73.35 7 A 1 ATOM 54 O OD1 . ASP A 0 7 . 4.924 6.156 -13.696 1.00 73.35 7 A 1 ATOM 55 O OD2 . ASP A 0 7 . 4.887 5.725 -15.859 1.00 73.35 7 A 1 ATOM 56 N N . CYS A 0 8 . 1.972 1.816 -13.867 1.00 76.04 8 A 1 ATOM 57 C CA . CYS A 0 8 . 0.883 0.837 -13.813 1.00 76.04 8 A 1 ATOM 58 C C . CYS A 0 8 . 0.678 0.259 -12.405 1.00 76.04 8 A 1 ATOM 59 C CB . CYS A 0 8 . 1.157 -0.301 -14.807 1.00 76.04 8 A 1 ATOM 60 O O . CYS A 0 8 . -0.464 0.099 -11.969 1.00 76.04 8 A 1 ATOM 61 S SG . CYS A 0 8 . 0.971 0.262 -16.523 1.00 76.04 8 A 1 ATOM 62 N N . LEU A 0 9 . 1.762 -0.040 -11.682 1.00 80.14 9 A 1 ATOM 63 C CA . LEU A 0 9 . 1.684 -0.547 -10.312 1.00 80.14 9 A 1 ATOM 64 C C . LEU A 0 9 . 1.086 0.489 -9.356 1.00 80.14 9 A 1 ATOM 65 C CB . LEU A 0 9 . 3.076 -0.998 -9.834 1.00 80.14 9 A 1 ATOM 66 O O . LEU A 0 9 . 0.254 0.127 -8.528 1.00 80.14 9 A 1 ATOM 67 C CG . LEU A 0 9 . 3.535 -2.349 -10.413 1.00 80.14 9 A 1 ATOM 68 C CD1 . LEU A 0 9 . 5.008 -2.575 -10.066 1.00 80.14 9 A 1 ATOM 69 C CD2 . LEU A 0 9 . 2.728 -3.522 -9.847 1.00 80.14 9 A 1 ATOM 70 N N . ALA A 0 10 . 1.439 1.769 -9.475 1.00 78.51 10 A 1 ATOM 71 C CA . ALA A 0 10 . 0.848 2.796 -8.621 1.00 78.51 10 A 1 ATOM 72 C C . ALA A 0 10 . -0.630 3.029 -8.896 1.00 78.51 10 A 1 ATOM 73 C CB . ALA A 0 10 . 1.626 4.083 -8.760 1.00 78.51 10 A 1 ATOM 74 O O . ALA A 0 10 . -1.402 3.133 -7.945 1.00 78.51 10 A 1 ATOM 75 N N . ILE A 0 11 . -1.043 3.035 -10.166 1.00 82.93 11 A 1 ATOM 76 C CA . ILE A 0 11 . -2.467 3.100 -10.517 1.00 82.93 11 A 1 ATOM 77 C C . ILE A 0 11 . -3.211 1.922 -9.873 1.00 82.93 11 A 1 ATOM 78 C CB . ILE A 0 11 . -2.645 3.138 -12.050 1.00 82.93 11 A 1 ATOM 79 O O . ILE A 0 11 . -4.254 2.118 -9.248 1.00 82.93 11 A 1 ATOM 80 C CG1 . ILE A 0 11 . -2.063 4.447 -12.634 1.00 82.93 11 A 1 ATOM 81 C CG2 . ILE A 0 11 . -4.135 3.019 -12.424 1.00 82.93 11 A 1 ATOM 82 C CD1 . ILE A 0 11 . -1.877 4.409 -14.156 1.00 82.93 11 A 1 ATOM 83 N N . PHE A 0 12 . -2.648 0.712 -9.948 1.00 83.97 12 A 1 ATOM 84 C CA . PHE A 0 12 . -3.224 -0.470 -9.309 1.00 83.97 12 A 1 ATOM 85 C C . PHE A 0 12 . -3.338 -0.318 -7.782 1.00 83.97 12 A 1 ATOM 86 C CB . PHE A 0 12 . -2.402 -1.706 -9.696 1.00 83.97 12 A 1 ATOM 87 O O . PHE A 0 12 . -4.397 -0.597 -7.220 1.00 83.97 12 A 1 ATOM 88 C CG . PHE A 0 12 . -2.947 -2.988 -9.107 1.00 83.97 12 A 1 ATOM 89 C CD1 . PHE A 0 12 . -2.411 -3.505 -7.911 1.00 83.97 12 A 1 ATOM 90 C CD2 . PHE A 0 12 . -4.019 -3.645 -9.736 1.00 83.97 12 A 1 ATOM 91 C CE1 . PHE A 0 12 . -2.946 -4.678 -7.351 1.00 83.97 12 A 1 ATOM 92 C CE2 . PHE A 0 12 . -4.552 -4.819 -9.178 1.00 83.97 12 A 1 ATOM 93 C CZ . PHE A 0 12 . -4.016 -5.336 -7.985 1.00 83.97 12 A 1 ATOM 94 N N . TYR A 0 13 . -2.292 0.173 -7.108 1.00 83.98 13 A 1 ATOM 95 C CA . TYR A 0 13 . -2.321 0.403 -5.660 1.00 83.98 13 A 1 ATOM 96 C C . TYR A 0 13 . -3.357 1.452 -5.246 1.00 83.98 13 A 1 ATOM 97 C CB . TYR A 0 13 . -0.928 0.800 -5.147 1.00 83.98 13 A 1 ATOM 98 O O . TYR A 0 13 . -4.059 1.244 -4.258 1.00 83.98 13 A 1 ATOM 99 C CG . TYR A 0 13 . 0.028 -0.365 -4.981 1.00 83.98 13 A 1 ATOM 100 C CD1 . TYR A 0 13 . -0.282 -1.396 -4.071 1.00 83.98 13 A 1 ATOM 101 C CD2 . TYR A 0 13 . 1.234 -0.411 -5.706 1.00 83.98 13 A 1 ATOM 102 C CE1 . TYR A 0 13 . 0.598 -2.482 -3.908 1.00 83.98 13 A 1 ATOM 103 C CE2 . TYR A 0 13 . 2.111 -1.501 -5.557 1.00 83.98 13 A 1 ATOM 104 O OH . TYR A 0 13 . 2.639 -3.589 -4.497 1.00 83.98 13 A 1 ATOM 105 C CZ . TYR A 0 13 . 1.792 -2.539 -4.656 1.00 83.98 13 A 1 ATOM 106 N N . VAL A 0 14 . -3.506 2.541 -6.006 1.00 85.03 14 A 1 ATOM 107 C CA . VAL A 0 14 . -4.526 3.569 -5.741 1.00 85.03 14 A 1 ATOM 108 C C . VAL A 0 14 . -5.932 2.976 -5.853 1.00 85.03 14 A 1 ATOM 109 C CB . VAL A 0 14 . -4.346 4.777 -6.682 1.00 85.03 14 A 1 ATOM 110 O O . VAL A 0 14 . -6.749 3.173 -4.954 1.00 85.03 14 A 1 ATOM 111 C CG1 . VAL A 0 14 . -5.504 5.778 -6.577 1.00 85.03 14 A 1 ATOM 112 C CG2 . VAL A 0 14 . -3.059 5.540 -6.338 1.00 85.03 14 A 1 ATOM 113 N N . ILE A 0 15 . -6.204 2.195 -6.905 1.00 85.35 15 A 1 ATOM 114 C CA . ILE A 0 15 . -7.498 1.517 -7.077 1.00 85.35 15 A 1 ATOM 115 C C . ILE A 0 15 . -7.753 0.546 -5.918 1.00 85.35 15 A 1 ATOM 116 C CB . ILE A 0 15 . -7.568 0.813 -8.453 1.00 85.35 15 A 1 ATOM 117 O O . ILE A 0 15 . -8.842 0.550 -5.346 1.00 85.35 15 A 1 ATOM 118 C CG1 . ILE A 0 15 . -7.548 1.858 -9.593 1.00 85.35 15 A 1 ATOM 119 C CG2 . ILE A 0 15 . -8.840 -0.053 -8.566 1.00 85.35 15 A 1 ATOM 120 C CD1 . ILE A 0 15 . -7.313 1.252 -10.983 1.00 85.35 15 A 1 ATOM 121 N N . LEU A 0 16 . -6.752 -0.246 -5.521 1.00 87.09 16 A 1 ATOM 122 C CA . LEU A 0 16 . -6.874 -1.192 -4.411 1.00 87.09 16 A 1 ATOM 123 C C . LEU A 0 16 . -7.193 -0.483 -3.084 1.00 87.09 16 A 1 ATOM 124 C CB . LEU A 0 16 . -5.571 -2.009 -4.327 1.00 87.09 16 A 1 ATOM 125 O O . LEU A 0 16 . -8.072 -0.928 -2.346 1.00 87.09 16 A 1 ATOM 126 C CG . LEU A 0 16 . -5.634 -3.183 -3.334 1.00 87.09 16 A 1 ATOM 127 C CD1 . LEU A 0 16 . -6.549 -4.304 -3.835 1.00 87.09 16 A 1 ATOM 128 C CD2 . LEU A 0 16 . -4.234 -3.761 -3.132 1.00 87.09 16 A 1 ATOM 129 N N . ILE A 0 17 . -6.528 0.641 -2.798 1.00 85.61 17 A 1 ATOM 130 C CA . ILE A 0 17 . -6.780 1.460 -1.603 1.00 85.61 17 A 1 ATOM 131 C C . ILE A 0 17 . -8.206 2.020 -1.608 1.00 85.61 17 A 1 ATOM 132 C CB . ILE A 0 17 . -5.724 2.586 -1.494 1.00 85.61 17 A 1 ATOM 133 O O . ILE A 0 17 . -8.880 1.972 -0.575 1.00 85.61 17 A 1 ATOM 134 C CG1 . ILE A 0 17 . -4.354 1.990 -1.097 1.00 85.61 17 A 1 ATOM 135 C CG2 . ILE A 0 17 . -6.154 3.658 -0.473 1.00 85.61 17 A 1 ATOM 136 C CD1 . ILE A 0 17 . -3.177 2.953 -1.306 1.00 85.61 17 A 1 ATOM 137 N N . LEU A 0 18 . -8.683 2.516 -2.755 1.00 82.38 18 A 1 ATOM 138 C CA . LEU A 0 18 . -10.053 3.015 -2.899 1.00 82.38 18 A 1 ATOM 139 C C . LEU A 0 18 . -11.072 1.905 -2.630 1.00 82.38 18 A 1 ATOM 140 C CB . LEU A 0 18 . -10.250 3.617 -4.303 1.00 82.38 18 A 1 ATOM 141 O O . LEU A 0 18 . -11.989 2.107 -1.838 1.00 82.38 18 A 1 ATOM 142 C CG . LEU A 0 18 . -9.565 4.978 -4.521 1.00 82.38 18 A 1 ATOM 143 C CD1 . LEU A 0 18 . -9.653 5.361 -5.999 1.00 82.38 18 A 1 ATOM 144 C CD2 . LEU A 0 18 . -10.224 6.089 -3.700 1.00 82.38 18 A 1 ATOM 145 N N . VAL A 0 19 . -10.868 0.715 -3.204 1.00 83.61 19 A 1 ATOM 146 C CA . VAL A 0 19 . -11.742 -0.449 -2.988 1.00 83.61 19 A 1 ATOM 147 C C . VAL A 0 19 . -11.781 -0.848 -1.510 1.00 83.61 19 A 1 ATOM 148 C CB . VAL A 0 19 . -11.310 -1.631 -3.880 1.00 83.61 19 A 1 ATOM 149 O O . VAL A 0 19 . -12.868 -1.006 -0.956 1.00 83.61 19 A 1 ATOM 150 C CG1 . VAL A 0 19 . -12.063 -2.925 -3.547 1.00 83.61 19 A 1 ATOM 151 C CG2 . VAL A 0 19 . -11.581 -1.326 -5.360 1.00 83.61 19 A 1 ATOM 152 N N . ILE A 0 20 . -10.627 -0.957 -0.842 1.00 84.55 20 A 1 ATOM 153 C CA . ILE A 0 20 . -10.562 -1.301 0.590 1.00 84.55 20 A 1 ATOM 154 C C . ILE A 0 20 . -11.273 -0.239 1.436 1.00 84.55 20 A 1 ATOM 155 C CB . ILE A 0 20 . -9.093 -1.501 1.035 1.00 84.55 20 A 1 ATOM 156 O O . ILE A 0 20 . -12.044 -0.582 2.333 1.00 84.55 20 A 1 ATOM 157 C CG1 . ILE A 0 20 . -8.507 -2.768 0.369 1.00 84.55 20 A 1 ATOM 158 C CG2 . ILE A 0 20 . -8.983 -1.623 2.570 1.00 84.55 20 A 1 ATOM 159 C CD1 . ILE A 0 20 . -6.984 -2.893 0.507 1.00 84.55 20 A 1 ATOM 160 N N . SER A 0 21 . -11.063 1.042 1.125 1.00 78.68 21 A 1 ATOM 161 C CA . SER A 0 21 . -11.712 2.161 1.817 1.00 78.68 21 A 1 ATOM 162 C C . SER A 0 21 . -13.233 2.122 1.658 1.00 78.68 21 A 1 ATOM 163 C CB . SER A 0 21 . -11.170 3.494 1.294 1.00 78.68 21 A 1 ATOM 164 O O . SER A 0 21 . -13.956 2.295 2.638 1.00 78.68 21 A 1 ATOM 165 O OG . SER A 0 21 . -9.773 3.566 1.504 1.00 78.68 21 A 1 ATOM 166 N N . SER A 0 22 . -13.733 1.830 0.453 1.00 76.99 22 A 1 ATOM 167 C CA . SER A 0 22 . -15.167 1.685 0.183 1.00 76.99 22 A 1 ATOM 168 C C . SER A 0 22 . -15.779 0.473 0.882 1.00 76.99 22 A 1 ATOM 169 C CB . SER A 0 22 . -15.426 1.569 -1.321 1.00 76.99 22 A 1 ATOM 170 O O . SER A 0 22 . -16.871 0.590 1.434 1.00 76.99 22 A 1 ATOM 171 O OG . SER A 0 22 . -15.014 2.741 -1.994 1.00 76.99 22 A 1 ATOM 172 N N . ILE A 0 23 . -15.084 -0.670 0.913 1.00 78.88 23 A 1 ATOM 173 C CA . ILE A 0 23 . -15.536 -1.859 1.651 1.00 78.88 23 A 1 ATOM 174 C C . ILE A 0 23 . -15.592 -1.554 3.148 1.00 78.88 23 A 1 ATOM 175 C CB . ILE A 0 23 . -14.630 -3.078 1.357 1.00 78.88 23 A 1 ATOM 176 O O . ILE A 0 23 . -16.575 -1.893 3.799 1.00 78.88 23 A 1 ATOM 177 C CG1 . ILE A 0 23 . -14.799 -3.529 -0.111 1.00 78.88 23 A 1 ATOM 178 C CG2 . ILE A 0 23 . -14.959 -4.257 2.298 1.00 78.88 23 A 1 ATOM 179 C CD1 . ILE A 0 23 . -13.714 -4.510 -0.577 1.00 78.88 23 A 1 ATOM 180 N N . TYR A 0 24 . -14.579 -0.881 3.696 1.00 75.88 24 A 1 ATOM 181 C CA . TYR A 0 24 . -14.543 -0.532 5.114 1.00 75.88 24 A 1 ATOM 182 C C . TYR A 0 24 . -15.655 0.460 5.490 1.00 75.88 24 A 1 ATOM 183 C CB . TYR A 0 24 . -13.149 0.001 5.461 1.00 75.88 24 A 1 ATOM 184 O O . TYR A 0 24 . -16.353 0.252 6.481 1.00 75.88 24 A 1 ATOM 185 C CG . TYR A 0 24 . -12.924 0.142 6.951 1.00 75.88 24 A 1 ATOM 186 C CD1 . TYR A 0 24 . -13.090 1.391 7.579 1.00 75.88 24 A 1 ATOM 187 C CD2 . TYR A 0 24 . -12.572 -0.990 7.713 1.00 75.88 24 A 1 ATOM 188 C CE1 . TYR A 0 24 . -12.900 1.512 8.968 1.00 75.88 24 A 1 ATOM 189 C CE2 . TYR A 0 24 . -12.380 -0.873 9.103 1.00 75.88 24 A 1 ATOM 190 O OH . TYR A 0 24 . -12.359 0.496 11.072 1.00 75.88 24 A 1 ATOM 191 C CZ . TYR A 0 24 . -12.544 0.378 9.731 1.00 75.88 24 A 1 ATOM 192 N N . ALA A 0 25 . -15.882 1.489 4.665 1.00 70.38 25 A 1 ATOM 193 C CA . ALA A 0 25 . -16.968 2.453 4.857 1.00 70.38 25 A 1 ATOM 194 C C . ALA A 0 25 . -18.362 1.813 4.698 1.00 70.38 25 A 1 ATOM 195 C CB . ALA A 0 25 . -16.763 3.606 3.867 1.00 70.38 25 A 1 ATOM 196 O O . ALA A 0 25 . -19.279 2.104 5.467 1.00 70.38 25 A 1 ATOM 197 N N . GLY A 0 26 . -18.523 0.904 3.731 1.00 62.80 26 A 1 ATOM 198 C CA . GLY A 0 26 . -19.760 0.146 3.529 1.00 62.80 26 A 1 ATOM 199 C C . GLY A 0 26 . -20.017 -0.878 4.636 1.00 62.80 26 A 1 ATOM 200 O O . GLY A 0 26 . -21.152 -1.068 5.057 1.00 62.80 26 A 1 ATOM 201 N N . SER A 0 27 . -18.966 -1.494 5.178 1.00 59.21 27 A 1 ATOM 202 C CA . SER A 0 27 . -19.082 -2.453 6.279 1.00 59.21 27 A 1 ATOM 203 C C . SER A 0 27 . -19.375 -1.774 7.618 1.00 59.21 27 A 1 ATOM 204 C CB . SER A 0 27 . -17.811 -3.298 6.378 1.00 59.21 27 A 1 ATOM 205 O O . SER A 0 27 . -19.984 -2.397 8.485 1.00 59.21 27 A 1 ATOM 206 O OG . SER A 0 27 . -18.023 -4.398 7.240 1.00 59.21 27 A 1 ATOM 207 N N . SER A 0 28 . -18.995 -0.504 7.806 1.00 57.66 28 A 1 ATOM 208 C CA . SER A 0 28 . -19.228 0.210 9.070 1.00 57.66 28 A 1 ATOM 209 C C . SER A 0 28 . -20.666 0.706 9.258 1.00 57.66 28 A 1 ATOM 210 C CB . SER A 0 28 . -18.219 1.352 9.261 1.00 57.66 28 A 1 ATOM 211 O O . SER A 0 28 . -20.966 1.293 10.294 1.00 57.66 28 A 1 ATOM 212 O OG . SER A 0 28 . -18.657 2.564 8.676 1.00 57.66 28 A 1 ATOM 213 N N . THR A 0 29 . -21.551 0.521 8.276 1.00 56.65 29 A 1 ATOM 214 C CA . THR A 0 29 . -22.947 0.991 8.335 1.00 56.65 29 A 1 ATOM 215 C C . THR A 0 29 . -23.967 -0.127 8.592 1.00 56.65 29 A 1 ATOM 216 C CB . THR A 0 29 . -23.303 1.857 7.111 1.00 56.65 29 A 1 ATOM 217 O O . THR A 0 29 . -25.146 0.165 8.769 1.00 56.65 29 A 1 ATOM 218 C CG2 . THR A 0 29 . -22.706 3.261 7.228 1.00 56.65 29 A 1 ATOM 219 O OG1 . THR A 0 29 . -22.796 1.320 5.913 1.00 56.65 29 A 1 ATOM 220 N N . GLY A 0 30 . -23.526 -1.391 8.699 1.00 56.66 30 A 1 ATOM 221 C CA . GLY A 0 30 . -24.397 -2.559 8.913 1.00 56.66 30 A 1 ATOM 222 C C . GLY A 0 30 . -24.523 -3.070 10.357 1.00 56.66 30 A 1 ATOM 223 O O . GLY A 0 30 . -25.435 -3.844 10.638 1.00 56.66 30 A 1 ATOM 224 N N . GLU A 0 31 . -23.667 -2.637 11.290 1.00 53.35 31 A 1 ATOM 225 C CA . GLU A 0 31 . -23.721 -3.076 12.692 1.00 53.35 31 A 1 ATOM 226 C C . GLU A 0 31 . -23.944 -1.901 13.653 1.00 53.35 31 A 1 ATOM 227 C CB . GLU A 0 31 . -22.495 -3.917 13.086 1.00 53.35 31 A 1 ATOM 228 O O . GLU A 0 31 . -23.055 -1.110 13.965 1.00 53.35 31 A 1 ATOM 229 C CG . GLU A 0 31 . -22.547 -5.338 12.501 1.00 53.35 31 A 1 ATOM 230 C CD . GLU A 0 31 . -21.568 -6.266 13.235 1.00 53.35 31 A 1 ATOM 231 O OE1 . GLU A 0 31 . -22.049 -7.089 14.050 1.00 53.35 31 A 1 ATOM 232 O OE2 . GLU A 0 31 . -20.345 -6.110 13.021 1.00 53.35 31 A 1 ATOM 233 N N . SER A 0 32 . -25.165 -1.825 14.181 1.00 48.05 32 A 1 ATOM 234 C CA . SER A 0 32 . -25.490 -1.113 15.416 1.00 48.05 32 A 1 ATOM 235 C C . SER A 0 32 . -24.624 -1.651 16.560 1.00 48.05 32 A 1 ATOM 236 C CB . SER A 0 32 . -26.976 -1.367 15.714 1.00 48.05 32 A 1 ATOM 237 O O . SER A 0 32 . -24.980 -2.662 17.157 1.00 48.05 32 A 1 ATOM 238 O OG . SER A 0 32 . -27.381 -0.783 16.938 1.00 48.05 32 A 1 ATOM 239 N N . GLN A 0 33 . -23.475 -1.031 16.867 1.00 53.43 33 A 1 ATOM 240 C CA . GLN A 0 33 . -22.705 -1.357 18.075 1.00 53.43 33 A 1 ATOM 241 C C . GLN A 0 33 . -21.648 -0.294 18.439 1.00 53.43 33 A 1 ATOM 242 C CB . GLN A 0 33 . -22.111 -2.787 17.964 1.00 53.43 33 A 1 ATOM 243 O O . GLN A 0 33 . -20.481 -0.416 18.100 1.00 53.43 33 A 1 ATOM 244 C CG . GLN A 0 33 . -22.770 -3.740 18.978 1.00 53.43 33 A 1 ATOM 245 C CD . GLN A 0 33 . -22.347 -5.180 18.757 1.00 53.43 33 A 1 ATOM 246 N NE2 . GLN A 0 33 . -23.231 -6.051 18.332 1.00 53.43 33 A 1 ATOM 247 O OE1 . GLN A 0 33 . -21.214 -5.540 19.018 1.00 53.43 33 A 1 ATOM 248 N N . LYS A 0 34 . -22.085 0.688 19.245 1.00 52.03 34 A 1 ATOM 249 C CA . LYS A 0 34 . -21.315 1.531 20.192 1.00 52.03 34 A 1 ATOM 250 C C . LYS A 0 34 . -20.154 2.378 19.616 1.00 52.03 34 A 1 ATOM 251 C CB . LYS A 0 34 . -20.820 0.660 21.368 1.00 52.03 34 A 1 ATOM 252 O O . LYS A 0 34 . -19.317 1.875 18.879 1.00 52.03 34 A 1 ATOM 253 C CG . LYS A 0 34 . -21.977 0.097 22.212 1.00 52.03 34 A 1 ATOM 254 C CD . LYS A 0 34 . -21.487 -0.863 23.307 1.00 52.03 34 A 1 ATOM 255 C CE . LYS A 0 34 . -22.694 -1.371 24.111 1.00 52.03 34 A 1 ATOM 256 N NZ . LYS A 0 34 . -22.309 -2.377 25.134 1.00 52.03 34 A 1 ATOM 257 N N . PRO A 0 35 . -19.986 3.646 20.050 1.00 51.81 35 A 1 ATOM 258 C CA . PRO A 0 35 . -18.791 4.426 19.735 1.00 51.81 35 A 1 ATOM 259 C C . PRO A 0 35 . -17.584 3.805 20.453 1.00 51.81 35 A 1 ATOM 260 C CB . PRO A 0 35 . -19.107 5.859 20.181 1.00 51.81 35 A 1 ATOM 261 O O . PRO A 0 35 . -17.206 4.188 21.561 1.00 51.81 35 A 1 ATOM 262 C CG . PRO A 0 35 . -20.065 5.653 21.352 1.00 51.81 35 A 1 ATOM 263 C CD . PRO A 0 35 . -20.841 4.394 20.962 1.00 51.81 35 A 1 ATOM 264 N N . ARG A 0 36 . -16.975 2.786 19.846 1.00 53.11 36 A 1 ATOM 265 C CA . ARG A 0 36 . -15.661 2.305 20.244 1.00 53.11 36 A 1 ATOM 266 C C . ARG A 0 36 . -14.714 3.420 19.828 1.00 53.11 36 A 1 ATOM 267 C CB . ARG A 0 36 . -15.383 0.942 19.581 1.00 53.11 36 A 1 ATOM 268 O O . ARG A 0 36 . -14.564 3.665 18.635 1.00 53.11 36 A 1 ATOM 269 C CG . ARG A 0 36 . -14.358 0.111 20.368 1.00 53.11 36 A 1 ATOM 270 C CD . ARG A 0 36 . -14.203 -1.281 19.736 1.00 53.11 36 A 1 ATOM 271 N NE . ARG A 0 36 . -13.453 -2.212 20.608 1.00 53.11 36 A 1 ATOM 272 N NH1 . ARG A 0 36 . -13.930 -4.131 19.431 1.00 53.11 36 A 1 ATOM 273 N NH2 . ARG A 0 36 . -12.739 -4.266 21.308 1.00 53.11 36 A 1 ATOM 274 C CZ . ARG A 0 36 . -13.376 -3.525 20.443 1.00 53.11 36 A 1 ATOM 275 N N . LYS A 0 37 . -14.160 4.139 20.817 1.00 52.21 37 A 1 ATOM 276 C CA . LYS A 0 37 . -13.117 5.161 20.624 1.00 52.21 37 A 1 ATOM 277 C C . LYS A 0 37 . -12.224 4.724 19.462 1.00 52.21 37 A 1 ATOM 278 C CB . LYS A 0 37 . -12.225 5.281 21.875 1.00 52.21 37 A 1 ATOM 279 O O . LYS A 0 37 . -11.748 3.583 19.530 1.00 52.21 37 A 1 ATOM 280 C CG . LYS A 0 37 . -12.869 6.057 23.029 1.00 52.21 37 A 1 ATOM 281 C CD . LYS A 0 37 . -11.912 6.112 24.232 1.00 52.21 37 A 1 ATOM 282 C CE . LYS A 0 37 . -12.510 6.978 25.350 1.00 52.21 37 A 1 ATOM 283 N NZ . LYS A 0 37 . -11.615 7.062 26.535 1.00 52.21 37 A 1 ATOM 284 N N . PRO A 0 38 . -11.989 5.565 18.440 1.00 53.32 38 A 1 ATOM 285 C CA . PRO A 0 38 . -10.990 5.234 17.447 1.00 53.32 38 A 1 ATOM 286 C C . PRO A 0 38 . -9.693 5.060 18.233 1.00 53.32 38 A 1 ATOM 287 C CB . PRO A 0 38 . -10.975 6.400 16.450 1.00 53.32 38 A 1 ATOM 288 O O . PRO A 0 38 . -9.129 6.016 18.763 1.00 53.32 38 A 1 ATOM 289 C CG . PRO A 0 38 . -11.492 7.586 17.266 1.00 53.32 38 A 1 ATOM 290 C CD . PRO A 0 38 . -12.437 6.942 18.282 1.00 53.32 38 A 1 ATOM 291 N N . LYS A 0 39 . -9.233 3.814 18.394 1.00 52.21 39 A 1 ATOM 292 C CA . LYS A 0 39 . -7.803 3.612 18.563 1.00 52.21 39 A 1 ATOM 293 C C . LYS A 0 39 . -7.252 4.243 17.298 1.00 52.21 39 A 1 ATOM 294 C CB . LYS A 0 39 . -7.437 2.124 18.668 1.00 52.21 39 A 1 ATOM 295 O O . LYS A 0 39 . -7.563 3.747 16.220 1.00 52.21 39 A 1 ATOM 296 C CG . LYS A 0 39 . -7.715 1.541 20.062 1.00 52.21 39 A 1 ATOM 297 C CD . LYS A 0 39 . -7.217 0.090 20.129 1.00 52.21 39 A 1 ATOM 298 C CE . LYS A 0 39 . -7.383 -0.499 21.535 1.00 52.21 39 A 1 ATOM 299 N NZ . LYS A 0 39 . -6.804 -1.866 21.612 1.00 52.21 39 A 1 ATOM 300 N N . ASN A 0 40 . -6.570 5.377 17.439 1.00 51.11 40 A 1 ATOM 301 C CA . ASN A 0 40 . -5.896 6.099 16.367 1.00 51.11 40 A 1 ATOM 302 C C . ASN A 0 40 . -4.777 5.201 15.794 1.00 51.11 40 A 1 ATOM 303 C CB . ASN A 0 40 . -5.412 7.478 16.899 1.00 51.11 40 A 1 ATOM 304 O O . ASN A 0 40 . -3.590 5.411 15.994 1.00 51.11 40 A 1 ATOM 305 C CG . ASN A 0 40 . -6.117 8.684 16.296 1.00 51.11 40 A 1 ATOM 306 N ND2 . ASN A 0 40 . -5.629 9.872 16.569 1.00 51.11 40 A 1 ATOM 307 O OD1 . ASN A 0 40 . -7.103 8.587 15.591 1.00 51.11 40 A 1 ATOM 308 N N . HIS A 0 41 . -5.184 4.132 15.124 1.00 51.20 41 A 1 ATOM 309 C CA . HIS A 0 41 . -4.546 3.569 13.956 1.00 51.20 41 A 1 ATOM 310 C C . HIS A 0 41 . -5.376 4.046 12.767 1.00 51.20 41 A 1 ATOM 311 C CB . HIS A 0 41 . -4.456 2.036 14.058 1.00 51.20 41 A 1 ATOM 312 O O . HIS A 0 41 . -5.819 3.255 11.940 1.00 51.20 41 A 1 ATOM 313 C CG . HIS A 0 41 . -3.278 1.521 14.836 1.00 51.20 41 A 1 ATOM 314 C CD2 . HIS A 0 41 . -3.051 0.212 15.160 1.00 51.20 41 A 1 ATOM 315 N ND1 . HIS A 0 41 . -2.162 2.233 15.217 1.00 51.20 41 A 1 ATOM 316 C CE1 . HIS A 0 41 . -1.285 1.370 15.755 1.00 51.20 41 A 1 ATOM 317 N NE2 . HIS A 0 41 . -1.794 0.127 15.764 1.00 51.20 41 A 1 ATOM 318 N N . ALA A 0 42 . -5.602 5.362 12.680 1.00 53.73 42 A 1 ATOM 319 C CA . ALA A 0 42 . -5.622 5.969 11.366 1.00 53.73 42 A 1 ATOM 320 C C . ALA A 0 42 . -4.244 5.625 10.810 1.00 53.73 42 A 1 ATOM 321 C CB . ALA A 0 42 . -5.872 7.478 11.494 1.00 53.73 42 A 1 ATOM 322 O O . ALA A 0 42 . -3.242 6.202 11.231 1.00 53.73 42 A 1 ATOM 323 N N . TRP A 0 43 . -4.175 4.546 10.027 1.00 56.18 43 A 1 ATOM 324 C CA . TRP A 0 43 . -3.035 4.292 9.170 1.00 56.18 43 A 1 ATOM 325 C C . TRP A 0 43 . -2.649 5.637 8.587 1.00 56.18 43 A 1 ATOM 326 C CB . TRP A 0 43 . -3.439 3.319 8.063 1.00 56.18 43 A 1 ATOM 327 O O . TRP A 0 43 . -3.531 6.369 8.134 1.00 56.18 43 A 1 ATOM 328 C CG . TRP A 0 43 . -3.389 1.861 8.395 1.00 56.18 43 A 1 ATOM 329 C CD1 . TRP A 0 43 . -3.161 1.297 9.604 1.00 56.18 43 A 1 ATOM 330 C CD2 . TRP A 0 43 . -3.522 0.756 7.456 1.00 56.18 43 A 1 ATOM 331 C CE2 . TRP A 0 43 . -3.306 -0.465 8.161 1.00 56.18 43 A 1 ATOM 332 C CE3 . TRP A 0 43 . -3.785 0.671 6.073 1.00 56.18 43 A 1 ATOM 333 N NE1 . TRP A 0 43 . -3.102 -0.077 9.468 1.00 56.18 43 A 1 ATOM 334 C CH2 . TRP A 0 43 . -3.590 -1.764 6.141 1.00 56.18 43 A 1 ATOM 335 C CZ2 . TRP A 0 43 . -3.331 -1.712 7.522 1.00 56.18 43 A 1 ATOM 336 C CZ3 . TRP A 0 43 . -3.821 -0.577 5.422 1.00 56.18 43 A 1 ATOM 337 N N . ASP A 0 44 . -1.376 5.984 8.720 1.00 62.75 44 A 1 ATOM 338 C CA . ASP A 0 44 . -0.808 7.237 8.252 1.00 62.75 44 A 1 ATOM 339 C C . ASP A 0 44 . -0.864 7.235 6.719 1.00 62.75 44 A 1 ATOM 340 C CB . ASP A 0 44 . 0.605 7.353 8.850 1.00 62.75 44 A 1 ATOM 341 O O . ASP A 0 44 . 0.130 7.019 6.034 1.00 62.75 44 A 1 ATOM 342 C CG . ASP A 0 44 . 1.250 8.723 8.658 1.00 62.75 44 A 1 ATOM 343 O OD1 . ASP A 0 44 . 0.530 9.652 8.232 1.00 62.75 44 A 1 ATOM 344 O OD2 . ASP A 0 44 . 2.466 8.808 8.938 1.00 62.75 44 A 1 ATOM 345 N N . PHE A 0 45 . -2.078 7.331 6.175 1.00 62.57 45 A 1 ATOM 346 C CA . PHE A 0 45 . -2.377 7.380 4.755 1.00 62.57 45 A 1 ATOM 347 C C . PHE A 0 45 . -1.714 8.609 4.159 1.00 62.57 45 A 1 ATOM 348 C CB . PHE A 0 45 . -3.901 7.422 4.538 1.00 62.57 45 A 1 ATOM 349 O O . PHE A 0 45 . -1.246 8.540 3.031 1.00 62.57 45 A 1 ATOM 350 C CG . PHE A 0 45 . -4.548 6.060 4.376 1.00 62.57 45 A 1 ATOM 351 C CD1 . PHE A 0 45 . -4.422 5.381 3.151 1.00 62.57 45 A 1 ATOM 352 C CD2 . PHE A 0 45 . -5.286 5.476 5.423 1.00 62.57 45 A 1 ATOM 353 C CE1 . PHE A 0 45 . -5.022 4.123 2.975 1.00 62.57 45 A 1 ATOM 354 C CE2 . PHE A 0 45 . -5.901 4.223 5.240 1.00 62.57 45 A 1 ATOM 355 C CZ . PHE A 0 45 . -5.772 3.548 4.014 1.00 62.57 45 A 1 ATOM 356 N N . ASP A 0 46 . -1.599 9.678 4.946 1.00 62.39 46 A 1 ATOM 357 C CA . ASP A 0 46 . -0.843 10.877 4.612 1.00 62.39 46 A 1 ATOM 358 C C . ASP A 0 46 . 0.652 10.557 4.445 1.00 62.39 46 A 1 ATOM 359 C CB . ASP A 0 46 . -1.104 11.931 5.700 1.00 62.39 46 A 1 ATOM 360 O O . ASP A 0 46 . 1.234 10.817 3.391 1.00 62.39 46 A 1 ATOM 361 C CG . ASP A 0 46 . -1.401 13.280 5.057 1.00 62.39 46 A 1 ATOM 362 O OD1 . ASP A 0 46 . -0.426 13.953 4.664 1.00 62.39 46 A 1 ATOM 363 O OD2 . ASP A 0 46 . -2.606 13.595 4.930 1.00 62.39 46 A 1 ATOM 364 N N . GLY A 0 47 . 1.256 9.854 5.412 1.00 66.92 47 A 1 ATOM 365 C CA . GLY A 0 47 . 2.631 9.356 5.315 1.00 66.92 47 A 1 ATOM 366 C C . GLY A 0 47 . 2.849 8.325 4.198 1.00 66.92 47 A 1 ATOM 367 O O . GLY A 0 47 . 3.908 8.313 3.563 1.00 66.92 47 A 1 ATOM 368 N N . LEU A 0 48 . 1.858 7.475 3.913 1.00 65.68 48 A 1 ATOM 369 C CA . LEU A 0 48 . 1.901 6.494 2.826 1.00 65.68 48 A 1 ATOM 370 C C . LEU A 0 48 . 1.811 7.184 1.458 1.00 65.68 48 A 1 ATOM 371 C CB . LEU A 0 48 . 0.767 5.464 3.002 1.00 65.68 48 A 1 ATOM 372 O O . LEU A 0 48 . 2.572 6.847 0.556 1.00 65.68 48 A 1 ATOM 373 C CG . LEU A 0 48 . 1.088 4.122 2.315 1.00 65.68 48 A 1 ATOM 374 C CD1 . LEU A 0 48 . 1.792 3.176 3.293 1.00 65.68 48 A 1 ATOM 375 C CD2 . LEU A 0 48 . -0.181 3.433 1.816 1.00 65.68 48 A 1 ATOM 376 N N . TYR A 0 49 . 0.929 8.176 1.324 1.00 65.20 49 A 1 ATOM 377 C CA . TYR A 0 49 . 0.745 8.979 0.118 1.00 65.20 49 A 1 ATOM 378 C C . TYR A 0 49 . 1.970 9.855 -0.157 1.00 65.20 49 A 1 ATOM 379 C CB . TYR A 0 49 . -0.529 9.821 0.274 1.00 65.20 49 A 1 ATOM 380 O O . TYR A 0 49 . 2.468 9.868 -1.281 1.00 65.20 49 A 1 ATOM 381 C CG . TYR A 0 49 . -0.919 10.582 -0.974 1.00 65.20 49 A 1 ATOM 382 C CD1 . TYR A 0 49 . -0.695 11.969 -1.062 1.00 65.20 49 A 1 ATOM 383 C CD2 . TYR A 0 49 . -1.521 9.895 -2.045 1.00 65.20 49 A 1 ATOM 384 C CE1 . TYR A 0 49 . -1.069 12.669 -2.224 1.00 65.20 49 A 1 ATOM 385 C CE2 . TYR A 0 49 . -1.885 10.590 -3.214 1.00 65.20 49 A 1 ATOM 386 O OH . TYR A 0 49 . -1.995 12.641 -4.441 1.00 65.20 49 A 1 ATOM 387 C CZ . TYR A 0 49 . -1.652 11.976 -3.308 1.00 65.20 49 A 1 ATOM 388 N N . CYS A 0 50 . 2.533 10.490 0.876 1.00 66.60 50 A 1 ATOM 389 C CA . CYS A 0 50 . 3.781 11.243 0.770 1.00 66.60 50 A 1 ATOM 390 C C . CYS A 0 50 . 4.963 10.347 0.372 1.00 66.60 50 A 1 ATOM 391 C CB . CYS A 0 50 . 4.062 11.969 2.091 1.00 66.60 50 A 1 ATOM 392 O O . CYS A 0 50 . 5.753 10.734 -0.486 1.00 66.60 50 A 1 ATOM 393 S SG . CYS A 0 50 . 2.940 13.381 2.278 1.00 66.60 50 A 1 ATOM 394 N N . LYS A 0 51 . 5.075 9.130 0.927 1.00 69.43 51 A 1 ATOM 395 C CA . LYS A 0 51 . 6.089 8.148 0.496 1.00 69.43 51 A 1 ATOM 396 C C . LYS A 0 51 . 5.890 7.702 -0.949 1.00 69.43 51 A 1 ATOM 397 C CB . LYS A 0 51 . 6.086 6.919 1.414 1.00 69.43 51 A 1 ATOM 398 O O . LYS A 0 51 . 6.879 7.552 -1.663 1.00 69.43 51 A 1 ATOM 399 C CG . LYS A 0 51 . 6.959 7.143 2.651 1.00 69.43 51 A 1 ATOM 400 C CD . LYS A 0 51 . 6.897 5.911 3.558 1.00 69.43 51 A 1 ATOM 401 C CE . LYS A 0 51 . 7.840 6.105 4.747 1.00 69.43 51 A 1 ATOM 402 N NZ . LYS A 0 51 . 7.695 5.004 5.728 1.00 69.43 51 A 1 ATOM 403 N N . LEU A 0 52 . 4.642 7.507 -1.377 1.00 64.89 52 A 1 ATOM 404 C CA . LEU A 0 52 . 4.326 7.152 -2.759 1.00 64.89 52 A 1 ATOM 405 C C . LEU A 0 52 . 4.760 8.279 -3.707 1.00 64.89 52 A 1 ATOM 406 C CB . LEU A 0 52 . 2.822 6.834 -2.900 1.00 64.89 52 A 1 ATOM 407 O O . LEU A 0 52 . 5.514 8.027 -4.638 1.00 64.89 52 A 1 ATOM 408 C CG . LEU A 0 52 . 2.564 5.687 -3.895 1.00 64.89 52 A 1 ATOM 409 C CD1 . LEU A 0 52 . 2.460 4.350 -3.154 1.00 64.89 52 A 1 ATOM 410 C CD2 . LEU A 0 52 . 1.265 5.908 -4.666 1.00 64.89 52 A 1 ATOM 411 N N . LEU A 0 53 . 4.371 9.526 -3.415 1.00 67.93 53 A 1 ATOM 412 C CA . LEU A 0 53 . 4.778 10.725 -4.158 1.00 67.93 53 A 1 ATOM 413 C C . LEU A 0 53 . 6.301 10.874 -4.236 1.00 67.93 53 A 1 ATOM 414 C CB . LEU A 0 53 . 4.150 11.963 -3.488 1.00 67.93 53 A 1 ATOM 415 O O . LEU A 0 53 . 6.831 11.178 -5.302 1.00 67.93 53 A 1 ATOM 416 C CG . LEU A 0 53 . 2.878 12.440 -4.206 1.00 67.93 53 A 1 ATOM 417 C CD1 . LEU A 0 53 . 1.987 13.216 -3.244 1.00 67.93 53 A 1 ATOM 418 C CD2 . LEU A 0 53 . 3.231 13.365 -5.374 1.00 67.93 53 A 1 ATOM 419 N N . PHE A 0 54 . 7.011 10.612 -3.136 1.00 67.92 54 A 1 ATOM 420 C CA . PHE A 0 54 . 8.470 10.702 -3.100 1.00 67.92 54 A 1 ATOM 421 C C . PHE A 0 54 . 9.153 9.634 -3.969 1.00 67.92 54 A 1 ATOM 422 C CB . PHE A 0 54 . 8.946 10.649 -1.643 1.00 67.92 54 A 1 ATOM 423 O O . PHE A 0 54 . 10.159 9.930 -4.604 1.00 67.92 54 A 1 ATOM 424 C CG . PHE A 0 54 . 10.311 11.271 -1.436 1.00 67.92 54 A 1 ATOM 425 C CD1 . PHE A 0 54 . 11.474 10.478 -1.457 1.00 67.92 54 A 1 ATOM 426 C CD2 . PHE A 0 54 . 10.417 12.661 -1.243 1.00 67.92 54 A 1 ATOM 427 C CE1 . PHE A 0 54 . 12.736 11.075 -1.278 1.00 67.92 54 A 1 ATOM 428 C CE2 . PHE A 0 54 . 11.677 13.257 -1.066 1.00 67.92 54 A 1 ATOM 429 C CZ . PHE A 0 54 . 12.837 12.463 -1.082 1.00 67.92 54 A 1 ATOM 430 N N . MET A 0 55 . 8.595 8.419 -4.070 1.00 63.52 55 A 1 ATOM 431 C CA . MET A 0 55 . 9.108 7.392 -4.993 1.00 63.52 55 A 1 ATOM 432 C C . MET A 0 55 . 8.871 7.722 -6.475 1.00 63.52 55 A 1 ATOM 433 C CB . MET A 0 55 . 8.515 6.006 -4.688 1.00 63.52 55 A 1 ATOM 434 O O . MET A 0 55 . 9.560 7.160 -7.318 1.00 63.52 55 A 1 ATOM 435 C CG . MET A 0 55 . 9.064 5.378 -3.404 1.00 63.52 55 A 1 ATOM 436 S SD . MET A 0 55 . 8.927 3.564 -3.346 1.00 63.52 55 A 1 ATOM 437 C CE . MET A 0 55 . 10.521 3.105 -4.081 1.00 63.52 55 A 1 ATOM 438 N N . PHE A 0 56 . 7.922 8.606 -6.803 1.00 60.69 56 A 1 ATOM 439 C CA . PHE A 0 56 . 7.666 9.053 -8.180 1.00 60.69 56 A 1 ATOM 440 C C . PHE A 0 56 . 8.502 10.266 -8.611 1.00 60.69 56 A 1 ATOM 441 C CB . PHE A 0 56 . 6.162 9.325 -8.367 1.00 60.69 56 A 1 ATOM 442 O O . PHE A 0 56 . 8.525 10.591 -9.797 1.00 60.69 56 A 1 ATOM 443 C CG . PHE A 0 56 . 5.400 8.068 -8.712 1.00 60.69 56 A 1 ATOM 444 C CD1 . PHE A 0 56 . 5.491 7.551 -10.015 1.00 60.69 56 A 1 ATOM 445 C CD2 . PHE A 0 56 . 4.690 7.364 -7.726 1.00 60.69 56 A 1 ATOM 446 C CE1 . PHE A 0 56 . 4.951 6.293 -10.307 1.00 60.69 56 A 1 ATOM 447 C CE2 . PHE A 0 56 . 4.173 6.091 -8.007 1.00 60.69 56 A 1 ATOM 448 C CZ . PHE A 0 56 . 4.343 5.546 -9.295 1.00 60.69 56 A 1 ATOM 449 N N . HIS A 0 57 . 9.156 10.958 -7.675 1.00 60.77 57 A 1 ATOM 450 C CA . HIS A 0 57 . 9.940 12.169 -7.948 1.00 60.77 57 A 1 ATOM 451 C C . HIS A 0 57 . 11.463 11.986 -7.834 1.00 60.77 57 A 1 ATOM 452 C CB . HIS A 0 57 . 9.399 13.339 -7.098 1.00 60.77 57 A 1 ATOM 453 O O . HIS A 0 57 . 12.192 12.957 -8.037 1.00 60.77 57 A 1 ATOM 454 C CG . HIS A 0 57 . 8.625 14.357 -7.902 1.00 60.77 57 A 1 ATOM 455 C CD2 . HIS A 0 57 . 8.580 15.708 -7.682 1.00 60.77 57 A 1 ATOM 456 N ND1 . HIS A 0 57 . 7.865 14.106 -9.022 1.00 60.77 57 A 1 ATOM 457 C CE1 . HIS A 0 57 . 7.381 15.277 -9.467 1.00 60.77 57 A 1 ATOM 458 N NE2 . HIS A 0 57 . 7.783 16.286 -8.678 1.00 60.77 57 A 1 ATOM 459 N N . LEU A 0 58 . 11.942 10.769 -7.552 1.00 51.20 58 A 1 ATOM 460 C CA . LEU A 0 58 . 13.363 10.401 -7.514 1.00 51.20 58 A 1 ATOM 461 C C . LEU A 0 58 . 13.696 9.396 -8.625 1.00 51.20 58 A 1 ATOM 462 C CB . LEU A 0 58 . 13.698 9.845 -6.112 1.00 51.20 58 A 1 ATOM 463 O O . LEU A 0 58 . 14.773 9.543 -9.243 1.00 51.20 58 A 1 ATOM 464 C CG . LEU A 0 58 . 15.148 10.147 -5.704 1.00 51.20 58 A 1 ATOM 465 C CD1 . LEU A 0 58 . 15.177 11.358 -4.768 1.00 51.20 58 A 1 ATOM 466 C CD2 . LEU A 0 58 . 15.778 8.962 -4.975 1.00 51.20 58 A 1 ATOM 467 O OXT . LEU A 0 58 . 12.876 8.468 -8.788 1.00 51.20 58 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 66.49 # loop_ _atom_type.symbol C N O S #