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 LEU 0 4 ILE 0 5 ILE 0 6 TRP 0 7 ILE 0 8 ILE 0 9 ILE 0 10 PHE 0 11 SER 0 12 ILE 0 13 LEU 0 14 LEU 0 15 ILE 0 16 TYR 0 17 GLY 0 18 TYR 0 19 ASN 0 20 ALA 0 21 GLU 0 22 LYS 0 23 THR 0 24 LEU 0 25 CYS 0 26 GLY 0 27 SER 0 28 VAL 0 29 THR 0 30 CYS 0 31 ASP 0 32 VAL 0 33 GLY 0 34 GLU 0 35 SER 0 36 PHE 0 37 LEU 0 38 TYR 0 39 GLU 0 40 ARG 0 41 TYR 0 42 CYS 0 43 CYS 0 44 LYS 0 45 ASN 0 46 SER 0 47 HIS 0 48 HIS 0 49 GLN 0 50 ASP 0 51 ASP 0 52 CYS 0 53 CYS 0 54 LYS 0 55 LYS 0 56 VAL 0 57 ARG 0 58 TRP 0 59 LYS 0 60 PRO 0 61 ILE 0 62 THR 0 63 ILE 0 64 THR 0 65 VAL 0 66 CYS 0 67 VAL 0 68 VAL 0 69 ILE 0 70 GLY 0 71 VAL 0 72 LEU 0 73 ILE 0 74 LEU 0 75 ILE 0 76 TRP 0 77 ILE 0 78 LEU 0 79 SER 0 80 CYS 0 81 VAL 0 82 PHE 0 83 GLY 0 84 LEU 0 85 CYS 0 86 LYS 0 87 CYS 0 88 LEU 0 89 VAL 0 90 ASN 0 91 CYS 0 92 LEU 0 93 CYS 0 94 CYS 0 95 CYS 0 96 PHE 0 97 LYS 0 98 ARG 0 99 ASN # 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 . -12.036 -4.650 21.320 1.00 58.78 1 A 1 ATOM 2 C CA . MET A 0 1 . -10.868 -3.736 21.287 1.00 58.78 1 A 1 ATOM 3 C C . MET A 0 1 . -9.561 -4.479 21.007 1.00 58.78 1 A 1 ATOM 4 C CB . MET A 0 1 . -10.800 -2.832 22.524 1.00 58.78 1 A 1 ATOM 5 O O . MET A 0 1 . -9.002 -4.251 19.946 1.00 58.78 1 A 1 ATOM 6 C CG . MET A 0 1 . -12.005 -1.881 22.546 1.00 58.78 1 A 1 ATOM 7 S SD . MET A 0 1 . -11.942 -0.641 23.856 1.00 58.78 1 A 1 ATOM 8 C CE . MET A 0 1 . -12.942 -1.411 25.159 1.00 58.78 1 A 1 ATOM 9 N N . LYS A 0 2 . -9.119 -5.424 21.859 1.00 70.92 2 A 1 ATOM 10 C CA . LYS A 0 2 . -7.867 -6.195 21.653 1.00 70.92 2 A 1 ATOM 11 C C . LYS A 0 2 . -7.754 -6.893 20.284 1.00 70.92 2 A 1 ATOM 12 C CB . LYS A 0 2 . -7.683 -7.213 22.798 1.00 70.92 2 A 1 ATOM 13 O O . LYS A 0 2 . -6.724 -6.767 19.638 1.00 70.92 2 A 1 ATOM 14 C CG . LYS A 0 2 . -7.159 -6.563 24.092 1.00 70.92 2 A 1 ATOM 15 C CD . LYS A 0 2 . -7.090 -7.571 25.255 1.00 70.92 2 A 1 ATOM 16 C CE . LYS A 0 2 . -6.190 -7.037 26.381 1.00 70.92 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -6.215 -7.893 27.598 1.00 70.92 2 A 1 ATOM 18 N N . LEU A 0 3 . -8.821 -7.556 19.819 1.00 65.62 3 A 1 ATOM 19 C CA . LEU A 0 3 . -8.836 -8.247 18.519 1.00 65.62 3 A 1 ATOM 20 C C . LEU A 0 3 . -8.692 -7.277 17.332 1.00 65.62 3 A 1 ATOM 21 C CB . LEU A 0 3 . -10.142 -9.057 18.395 1.00 65.62 3 A 1 ATOM 22 O O . LEU A 0 3 . -7.932 -7.541 16.414 1.00 65.62 3 A 1 ATOM 23 C CG . LEU A 0 3 . -10.109 -10.087 17.244 1.00 65.62 3 A 1 ATOM 24 C CD1 . LEU A 0 3 . -9.471 -11.396 17.708 1.00 65.62 3 A 1 ATOM 25 C CD2 . LEU A 0 3 . -11.526 -10.378 16.756 1.00 65.62 3 A 1 ATOM 26 N N . ILE A 0 4 . -9.386 -6.134 17.375 1.00 71.40 4 A 1 ATOM 27 C CA . ILE A 0 4 . -9.348 -5.120 16.307 1.00 71.40 4 A 1 ATOM 28 C C . ILE A 0 4 . -7.941 -4.531 16.195 1.00 71.40 4 A 1 ATOM 29 C CB . ILE A 0 4 . -10.400 -4.013 16.556 1.00 71.40 4 A 1 ATOM 30 O O . ILE A 0 4 . -7.411 -4.422 15.097 1.00 71.40 4 A 1 ATOM 31 C CG1 . ILE A 0 4 . -11.826 -4.609 16.546 1.00 71.40 4 A 1 ATOM 32 C CG2 . ILE A 0 4 . -10.269 -2.894 15.507 1.00 71.40 4 A 1 ATOM 33 C CD1 . ILE A 0 4 . -12.912 -3.636 17.026 1.00 71.40 4 A 1 ATOM 34 N N . ILE A 0 5 . -7.318 -4.216 17.334 1.00 75.37 5 A 1 ATOM 35 C CA . ILE A 0 5 . -5.938 -3.724 17.381 1.00 75.37 5 A 1 ATOM 36 C C . ILE A 0 5 . -4.990 -4.762 16.769 1.00 75.37 5 A 1 ATOM 37 C CB . ILE A 0 5 . -5.558 -3.357 18.833 1.00 75.37 5 A 1 ATOM 38 O O . ILE A 0 5 . -4.167 -4.405 15.935 1.00 75.37 5 A 1 ATOM 39 C CG1 . ILE A 0 5 . -6.394 -2.148 19.317 1.00 75.37 5 A 1 ATOM 40 C CG2 . ILE A 0 5 . -4.057 -3.044 18.952 1.00 75.37 5 A 1 ATOM 41 C CD1 . ILE A 0 5 . -6.338 -1.930 20.835 1.00 75.37 5 A 1 ATOM 42 N N . TRP A 0 6 . -5.148 -6.045 17.104 1.00 77.50 6 A 1 ATOM 43 C CA . TRP A 0 6 . -4.355 -7.123 16.506 1.00 77.50 6 A 1 ATOM 44 C C . TRP A 0 6 . -4.564 -7.263 14.994 1.00 77.50 6 A 1 ATOM 45 C CB . TRP A 0 6 . -4.645 -8.443 17.230 1.00 77.50 6 A 1 ATOM 46 O O . TRP A 0 6 . -3.589 -7.425 14.271 1.00 77.50 6 A 1 ATOM 47 C CG . TRP A 0 6 . -3.572 -8.845 18.188 1.00 77.50 6 A 1 ATOM 48 C CD1 . TRP A 0 6 . -3.324 -8.281 19.392 1.00 77.50 6 A 1 ATOM 49 C CD2 . TRP A 0 6 . -2.543 -9.861 17.997 1.00 77.50 6 A 1 ATOM 50 C CE2 . TRP A 0 6 . -1.704 -9.874 19.151 1.00 77.50 6 A 1 ATOM 51 C CE3 . TRP A 0 6 . -2.226 -10.762 16.957 1.00 77.50 6 A 1 ATOM 52 N NE1 . TRP A 0 6 . -2.222 -8.889 19.966 1.00 77.50 6 A 1 ATOM 53 C CH2 . TRP A 0 6 . -0.332 -11.639 18.228 1.00 77.50 6 A 1 ATOM 54 C CZ2 . TRP A 0 6 . -0.615 -10.747 19.277 1.00 77.50 6 A 1 ATOM 55 C CZ3 . TRP A 0 6 . -1.134 -11.642 17.073 1.00 77.50 6 A 1 ATOM 56 N N . ILE A 0 7 . -5.800 -7.151 14.500 1.00 73.52 7 A 1 ATOM 57 C CA . ILE A 0 7 . -6.106 -7.208 13.061 1.00 73.52 7 A 1 ATOM 58 C C . ILE A 0 7 . -5.481 -6.019 12.321 1.00 73.52 7 A 1 ATOM 59 C CB . ILE A 0 7 . -7.636 -7.276 12.846 1.00 73.52 7 A 1 ATOM 60 O O . ILE A 0 7 . -4.913 -6.198 11.244 1.00 73.52 7 A 1 ATOM 61 C CG1 . ILE A 0 7 . -8.195 -8.636 13.325 1.00 73.52 7 A 1 ATOM 62 C CG2 . ILE A 0 7 . -8.003 -7.071 11.366 1.00 73.52 7 A 1 ATOM 63 C CD1 . ILE A 0 7 . -9.725 -8.667 13.455 1.00 73.52 7 A 1 ATOM 64 N N . ILE A 0 8 . -5.550 -4.816 12.899 1.00 74.96 8 A 1 ATOM 65 C CA . ILE A 0 8 . -4.921 -3.611 12.341 1.00 74.96 8 A 1 ATOM 66 C C . ILE A 0 8 . -3.398 -3.771 12.326 1.00 74.96 8 A 1 ATOM 67 C CB . ILE A 0 8 . -5.374 -2.351 13.110 1.00 74.96 8 A 1 ATOM 68 O O . ILE A 0 8 . -2.772 -3.545 11.298 1.00 74.96 8 A 1 ATOM 69 C CG1 . ILE A 0 8 . -6.876 -2.084 12.862 1.00 74.96 8 A 1 ATOM 70 C CG2 . ILE A 0 8 . -4.551 -1.123 12.678 1.00 74.96 8 A 1 ATOM 71 C CD1 . ILE A 0 8 . -7.474 -1.028 13.801 1.00 74.96 8 A 1 ATOM 72 N N . ILE A 0 9 . -2.795 -4.230 13.425 1.00 79.18 9 A 1 ATOM 73 C CA . ILE A 0 9 . -1.349 -4.480 13.493 1.00 79.18 9 A 1 ATOM 74 C C . ILE A 0 9 . -0.934 -5.535 12.461 1.00 79.18 9 A 1 ATOM 75 C CB . ILE A 0 9 . -0.940 -4.878 14.930 1.00 79.18 9 A 1 ATOM 76 O O . ILE A 0 9 . 0.038 -5.331 11.743 1.00 79.18 9 A 1 ATOM 77 C CG1 . ILE A 0 9 . -1.059 -3.658 15.872 1.00 79.18 9 A 1 ATOM 78 C CG2 . ILE A 0 9 . 0.501 -5.425 14.976 1.00 79.18 9 A 1 ATOM 79 C CD1 . ILE A 0 9 . -0.956 -4.025 17.358 1.00 79.18 9 A 1 ATOM 80 N N . PHE A 0 10 . -1.679 -6.634 12.337 1.00 76.52 10 A 1 ATOM 81 C CA . PHE A 0 10 . -1.373 -7.701 11.385 1.00 76.52 10 A 1 ATOM 82 C C . PHE A 0 10 . -1.495 -7.232 9.931 1.00 76.52 10 A 1 ATOM 83 C CB . PHE A 0 10 . -2.284 -8.900 11.669 1.00 76.52 10 A 1 ATOM 84 O O . PHE A 0 10 . -0.619 -7.505 9.116 1.00 76.52 10 A 1 ATOM 85 C CG . PHE A 0 10 . -1.851 -10.158 10.951 1.00 76.52 10 A 1 ATOM 86 C CD1 . PHE A 0 10 . -2.482 -10.562 9.760 1.00 76.52 10 A 1 ATOM 87 C CD2 . PHE A 0 10 . -0.797 -10.926 11.481 1.00 76.52 10 A 1 ATOM 88 C CE1 . PHE A 0 10 . -2.069 -11.740 9.112 1.00 76.52 10 A 1 ATOM 89 C CE2 . PHE A 0 10 . -0.377 -12.095 10.826 1.00 76.52 10 A 1 ATOM 90 C CZ . PHE A 0 10 . -1.013 -12.503 9.641 1.00 76.52 10 A 1 ATOM 91 N N . SER A 0 11 . -2.542 -6.470 9.606 1.00 73.43 11 A 1 ATOM 92 C CA . SER A 0 11 . -2.707 -5.889 8.267 1.00 73.43 11 A 1 ATOM 93 C C . SER A 0 11 . -1.621 -4.865 7.940 1.00 73.43 11 A 1 ATOM 94 C CB . SER A 0 11 . -4.113 -5.310 8.067 1.00 73.43 11 A 1 ATOM 95 O O . SER A 0 11 . -1.115 -4.864 6.824 1.00 73.43 11 A 1 ATOM 96 O OG . SER A 0 11 . -4.571 -4.549 9.162 1.00 73.43 11 A 1 ATOM 97 N N . ILE A 0 12 . -1.196 -4.063 8.916 1.00 74.62 12 A 1 ATOM 98 C CA . ILE A 0 12 . -0.054 -3.154 8.788 1.00 74.62 12 A 1 ATOM 99 C C . ILE A 0 12 . 1.254 -3.935 8.546 1.00 74.62 12 A 1 ATOM 100 C CB . ILE A 0 12 . -0.015 -2.243 10.035 1.00 74.62 12 A 1 ATOM 101 O O . ILE A 0 12 . 2.006 -3.597 7.635 1.00 74.62 12 A 1 ATOM 102 C CG1 . ILE A 0 12 . -1.135 -1.183 9.992 1.00 74.62 12 A 1 ATOM 103 C CG2 . ILE A 0 12 . 1.333 -1.549 10.157 1.00 74.62 12 A 1 ATOM 104 C CD1 . ILE A 0 12 . -1.278 -0.396 11.303 1.00 74.62 12 A 1 ATOM 105 N N . LEU A 0 13 . 1.511 -5.006 9.306 1.00 73.31 13 A 1 ATOM 106 C CA . LEU A 0 13 . 2.703 -5.851 9.145 1.00 73.31 13 A 1 ATOM 107 C C . LEU A 0 13 . 2.791 -6.479 7.748 1.00 73.31 13 A 1 ATOM 108 C CB . LEU A 0 13 . 2.715 -6.949 10.225 1.00 73.31 13 A 1 ATOM 109 O O . LEU A 0 13 . 3.878 -6.535 7.177 1.00 73.31 13 A 1 ATOM 110 C CG . LEU A 0 13 . 3.116 -6.460 11.629 1.00 73.31 13 A 1 ATOM 111 C CD1 . LEU A 0 13 . 2.812 -7.553 12.655 1.00 73.31 13 A 1 ATOM 112 C CD2 . LEU A 0 13 . 4.607 -6.127 11.717 1.00 73.31 13 A 1 ATOM 113 N N . LEU A 0 14 . 1.658 -6.889 7.170 1.00 69.18 14 A 1 ATOM 114 C CA . LEU A 0 14 . 1.605 -7.428 5.806 1.00 69.18 14 A 1 ATOM 115 C C . LEU A 0 14 . 1.964 -6.393 4.723 1.00 69.18 14 A 1 ATOM 116 C CB . LEU A 0 14 . 0.201 -8.004 5.546 1.00 69.18 14 A 1 ATOM 117 O O . LEU A 0 14 . 2.362 -6.780 3.627 1.00 69.18 14 A 1 ATOM 118 C CG . LEU A 0 14 . -0.132 -9.294 6.317 1.00 69.18 14 A 1 ATOM 119 C CD1 . LEU A 0 14 . -1.612 -9.621 6.106 1.00 69.18 14 A 1 ATOM 120 C CD2 . LEU A 0 14 . 0.695 -10.490 5.843 1.00 69.18 14 A 1 ATOM 121 N N . ILE A 0 15 . 1.833 -5.094 5.007 1.00 71.36 15 A 1 ATOM 122 C CA . ILE A 0 15 . 2.095 -4.009 4.046 1.00 71.36 15 A 1 ATOM 123 C C . ILE A 0 15 . 3.581 -3.600 4.029 1.00 71.36 15 A 1 ATOM 124 C CB . ILE A 0 15 . 1.142 -2.823 4.346 1.00 71.36 15 A 1 ATOM 125 O O . ILE A 0 15 . 4.055 -3.055 3.035 1.00 71.36 15 A 1 ATOM 126 C CG1 . ILE A 0 15 . -0.330 -3.223 4.085 1.00 71.36 15 A 1 ATOM 127 C CG2 . ILE A 0 15 . 1.482 -1.579 3.507 1.00 71.36 15 A 1 ATOM 128 C CD1 . ILE A 0 15 . -1.349 -2.288 4.752 1.00 71.36 15 A 1 ATOM 129 N N . TYR A 0 16 . 4.340 -3.876 5.094 1.00 69.02 16 A 1 ATOM 130 C CA . TYR A 0 16 . 5.696 -3.337 5.278 1.00 69.02 16 A 1 ATOM 131 C C . TYR A 0 16 . 6.820 -4.014 4.471 1.00 69.02 16 A 1 ATOM 132 C CB . TYR A 0 16 . 6.030 -3.266 6.777 1.00 69.02 16 A 1 ATOM 133 O O . TYR A 0 16 . 7.977 -3.627 4.620 1.00 69.02 16 A 1 ATOM 134 C CG . TYR A 0 16 . 5.492 -2.034 7.475 1.00 69.02 16 A 1 ATOM 135 C CD1 . TYR A 0 16 . 5.898 -0.750 7.055 1.00 69.02 16 A 1 ATOM 136 C CD2 . TYR A 0 16 . 4.668 -2.166 8.603 1.00 69.02 16 A 1 ATOM 137 C CE1 . TYR A 0 16 . 5.414 0.402 7.705 1.00 69.02 16 A 1 ATOM 138 C CE2 . TYR A 0 16 . 4.262 -1.016 9.302 1.00 69.02 16 A 1 ATOM 139 O OH . TYR A 0 16 . 4.079 1.355 9.470 1.00 69.02 16 A 1 ATOM 140 C CZ . TYR A 0 16 . 4.567 0.265 8.822 1.00 69.02 16 A 1 ATOM 141 N N . GLY A 0 17 . 6.534 -4.977 3.592 1.00 68.40 17 A 1 ATOM 142 C CA . GLY A 0 17 . 7.558 -5.536 2.703 1.00 68.40 17 A 1 ATOM 143 C C . GLY A 0 17 . 8.001 -4.519 1.646 1.00 68.40 17 A 1 ATOM 144 O O . GLY A 0 17 . 7.313 -4.343 0.644 1.00 68.40 17 A 1 ATOM 145 N N . TYR A 0 18 . 9.139 -3.850 1.848 1.00 68.44 18 A 1 ATOM 146 C CA . TYR A 0 18 . 9.777 -3.002 0.838 1.00 68.44 18 A 1 ATOM 147 C C . TYR A 0 18 . 11.062 -3.670 0.339 1.00 68.44 18 A 1 ATOM 148 C CB . TYR A 0 18 . 10.020 -1.582 1.382 1.00 68.44 18 A 1 ATOM 149 O O . TYR A 0 18 . 11.910 -4.050 1.138 1.00 68.44 18 A 1 ATOM 150 C CG . TYR A 0 18 . 11.040 -1.472 2.505 1.00 68.44 18 A 1 ATOM 151 C CD1 . TYR A 0 18 . 10.634 -1.606 3.847 1.00 68.44 18 A 1 ATOM 152 C CD2 . TYR A 0 18 . 12.404 -1.269 2.206 1.00 68.44 18 A 1 ATOM 153 C CE1 . TYR A 0 18 . 11.586 -1.561 4.883 1.00 68.44 18 A 1 ATOM 154 C CE2 . TYR A 0 18 . 13.361 -1.236 3.238 1.00 68.44 18 A 1 ATOM 155 O OH . TYR A 0 18 . 13.871 -1.367 5.581 1.00 68.44 18 A 1 ATOM 156 C CZ . TYR A 0 18 . 12.952 -1.387 4.580 1.00 68.44 18 A 1 ATOM 157 N N . ASN A 0 19 . 11.219 -3.787 -0.981 1.00 76.33 19 A 1 ATOM 158 C CA . ASN A 0 19 . 12.455 -4.250 -1.610 1.00 76.33 19 A 1 ATOM 159 C C . ASN A 0 19 . 12.835 -3.250 -2.708 1.00 76.33 19 A 1 ATOM 160 C CB . ASN A 0 19 . 12.256 -5.670 -2.168 1.00 76.33 19 A 1 ATOM 161 O O . ASN A 0 19 . 12.110 -3.097 -3.691 1.00 76.33 19 A 1 ATOM 162 C CG . ASN A 0 19 . 12.110 -6.732 -1.090 1.00 76.33 19 A 1 ATOM 163 N ND2 . ASN A 0 19 . 11.209 -7.669 -1.265 1.00 76.33 19 A 1 ATOM 164 O OD1 . ASN A 0 19 . 12.813 -6.767 -0.100 1.00 76.33 19 A 1 ATOM 165 N N . ALA A 0 20 . 13.954 -2.549 -2.535 1.00 77.94 20 A 1 ATOM 166 C CA . ALA A 0 20 . 14.488 -1.630 -3.535 1.00 77.94 20 A 1 ATOM 167 C C . ALA A 0 20 . 15.990 -1.866 -3.690 1.00 77.94 20 A 1 ATOM 168 C CB . ALA A 0 20 . 14.167 -0.185 -3.132 1.00 77.94 20 A 1 ATOM 169 O O . ALA A 0 20 . 16.713 -1.905 -2.693 1.00 77.94 20 A 1 ATOM 170 N N . GLU A 0 21 . 16.446 -2.006 -4.931 1.00 86.40 21 A 1 ATOM 171 C CA . GLU A 0 21 . 17.851 -2.193 -5.273 1.00 86.40 21 A 1 ATOM 172 C C . GLU A 0 21 . 18.321 -1.055 -6.184 1.00 86.40 21 A 1 ATOM 173 C CB . GLU A 0 21 . 18.056 -3.582 -5.894 1.00 86.40 21 A 1 ATOM 174 O O . GLU A 0 21 . 17.643 -0.652 -7.132 1.00 86.40 21 A 1 ATOM 175 C CG . GLU A 0 21 . 19.539 -3.862 -6.164 1.00 86.40 21 A 1 ATOM 176 C CD . GLU A 0 21 . 19.788 -5.360 -6.365 1.00 86.40 21 A 1 ATOM 177 O OE1 . GLU A 0 21 . 19.468 -5.861 -7.465 1.00 86.40 21 A 1 ATOM 178 O OE2 . GLU A 0 21 . 20.285 -5.984 -5.401 1.00 86.40 21 A 1 ATOM 179 N N . LYS A 0 22 . 19.502 -0.509 -5.894 1.00 87.56 22 A 1 ATOM 180 C CA . LYS A 0 22 . 20.123 0.512 -6.739 1.00 87.56 22 A 1 ATOM 181 C C . LYS A 0 22 . 20.776 -0.178 -7.923 1.00 87.56 22 A 1 ATOM 182 C CB . LYS A 0 22 . 21.149 1.321 -5.944 1.00 87.56 22 A 1 ATOM 183 O O . LYS A 0 22 . 21.741 -0.914 -7.747 1.00 87.56 22 A 1 ATOM 184 C CG . LYS A 0 22 . 20.453 2.216 -4.920 1.00 87.56 22 A 1 ATOM 185 C CD . LYS A 0 22 . 21.480 2.982 -4.093 1.00 87.56 22 A 1 ATOM 186 C CE . LYS A 0 22 . 20.728 3.803 -3.047 1.00 87.56 22 A 1 ATOM 187 N NZ . LYS A 0 22 . 21.671 4.538 -2.172 1.00 87.56 22 A 1 ATOM 188 N N . THR A 0 23 . 20.281 0.094 -9.121 1.00 90.04 23 A 1 ATOM 189 C CA . THR A 0 23 . 20.794 -0.504 -10.355 1.00 90.04 23 A 1 ATOM 190 C C . THR A 0 23 . 21.165 0.583 -11.358 1.00 90.04 23 A 1 ATOM 191 C CB . THR A 0 23 . 19.806 -1.511 -10.955 1.00 90.04 23 A 1 ATOM 192 O O . THR A 0 23 . 20.614 1.688 -11.350 1.00 90.04 23 A 1 ATOM 193 C CG2 . THR A 0 23 . 19.401 -2.624 -9.989 1.00 90.04 23 A 1 ATOM 194 O OG1 . THR A 0 23 . 18.645 -0.836 -11.332 1.00 90.04 23 A 1 ATOM 195 N N . LEU A 0 24 . 22.149 0.291 -12.205 1.00 89.12 24 A 1 ATOM 196 C CA . LEU A 0 24 . 22.556 1.180 -13.287 1.00 89.12 24 A 1 ATOM 197 C C . LEU A 0 24 . 21.705 0.862 -14.525 1.00 89.12 24 A 1 ATOM 198 C CB . LEU A 0 24 . 24.067 1.016 -13.536 1.00 89.12 24 A 1 ATOM 199 O O . LEU A 0 24 . 21.863 -0.191 -15.141 1.00 89.12 24 A 1 ATOM 200 C CG . LEU A 0 24 . 24.666 2.218 -14.291 1.00 89.12 24 A 1 ATOM 201 C CD1 . LEU A 0 24 . 25.121 3.297 -13.307 1.00 89.12 24 A 1 ATOM 202 C CD2 . LEU A 0 24 . 25.872 1.794 -15.120 1.00 89.12 24 A 1 ATOM 203 N N . CYS A 0 25 . 20.802 1.765 -14.884 1.00 88.34 25 A 1 ATOM 204 C CA . CYS A 0 25 . 19.999 1.688 -16.098 1.00 88.34 25 A 1 ATOM 205 C C . CYS A 0 25 . 20.724 2.445 -17.215 1.00 88.34 25 A 1 ATOM 206 C CB . CYS A 0 25 . 18.609 2.269 -15.824 1.00 88.34 25 A 1 ATOM 207 O O . CYS A 0 25 . 20.465 3.624 -17.452 1.00 88.34 25 A 1 ATOM 208 S SG . CYS A 0 25 . 17.564 1.375 -14.643 1.00 88.34 25 A 1 ATOM 209 N N . GLY A 0 26 . 21.673 1.775 -17.870 1.00 87.20 26 A 1 ATOM 210 C CA . GLY A 0 26 . 22.476 2.376 -18.934 1.00 87.20 26 A 1 ATOM 211 C C . GLY A 0 26 . 23.352 3.512 -18.404 1.00 87.20 26 A 1 ATOM 212 O O . GLY A 0 26 . 24.362 3.248 -17.756 1.00 87.20 26 A 1 ATOM 213 N N . SER A 0 27 . 22.964 4.762 -18.667 1.00 87.41 27 A 1 ATOM 214 C CA . SER A 0 27 . 23.713 5.954 -18.222 1.00 87.41 27 A 1 ATOM 215 C C . SER A 0 27 . 23.251 6.539 -16.880 1.00 87.41 27 A 1 ATOM 216 C CB . SER A 0 27 . 23.652 7.045 -19.292 1.00 87.41 27 A 1 ATOM 217 O O . SER A 0 27 . 23.943 7.390 -16.321 1.00 87.41 27 A 1 ATOM 218 O OG . SER A 0 27 . 24.076 6.535 -20.543 1.00 87.41 27 A 1 ATOM 219 N N . VAL A 0 28 . 22.093 6.118 -16.361 1.00 90.16 28 A 1 ATOM 220 C CA . VAL A 0 28 . 21.486 6.692 -15.148 1.00 90.16 28 A 1 ATOM 221 C C . VAL A 0 28 . 21.356 5.653 -14.037 1.00 90.16 28 A 1 ATOM 222 C CB . VAL A 0 28 . 20.142 7.389 -15.443 1.00 90.16 28 A 1 ATOM 223 O O . VAL A 0 28 . 21.147 4.467 -14.284 1.00 90.16 28 A 1 ATOM 224 C CG1 . VAL A 0 28 . 20.332 8.572 -16.401 1.00 90.16 28 A 1 ATOM 225 C CG2 . VAL A 0 28 . 19.079 6.453 -16.026 1.00 90.16 28 A 1 ATOM 226 N N . THR A 0 29 . 21.478 6.084 -12.784 1.00 91.07 29 A 1 ATOM 227 C CA . THR A 0 29 . 21.229 5.236 -11.613 1.00 91.07 29 A 1 ATOM 228 C C . THR A 0 29 . 19.750 5.287 -11.244 1.00 91.07 29 A 1 ATOM 229 C CB . THR A 0 29 . 22.099 5.652 -10.418 1.00 91.07 29 A 1 ATOM 230 O O . THR A 0 29 . 19.187 6.360 -11.027 1.00 91.07 29 A 1 ATOM 231 C CG2 . THR A 0 29 . 23.566 5.280 -10.616 1.00 91.07 29 A 1 ATOM 232 O OG1 . THR A 0 29 . 22.075 7.047 -10.221 1.00 91.07 29 A 1 ATOM 233 N N . CYS A 0 30 . 19.112 4.124 -11.142 1.00 89.51 30 A 1 ATOM 234 C CA . CYS A 0 30 . 17.711 4.010 -10.757 1.00 89.51 30 A 1 ATOM 235 C C . CYS A 0 30 . 17.558 3.053 -9.575 1.00 89.51 30 A 1 ATOM 236 C CB . CYS A 0 30 . 16.875 3.524 -11.947 1.00 89.51 30 A 1 ATOM 237 O O . CYS A 0 30 . 18.147 1.973 -9.544 1.00 89.51 30 A 1 ATOM 238 S SG . CYS A 0 30 . 16.918 4.534 -13.455 1.00 89.51 30 A 1 ATOM 239 N N . ASP A 0 31 . 16.695 3.415 -8.627 1.00 89.91 31 A 1 ATOM 240 C CA . ASP A 0 31 . 16.159 2.455 -7.663 1.00 89.91 31 A 1 ATOM 241 C C . ASP A 0 31 . 15.158 1.560 -8.397 1.00 89.91 31 A 1 ATOM 242 C CB . ASP A 0 31 . 15.498 3.178 -6.485 1.00 89.91 31 A 1 ATOM 243 O O . ASP A 0 31 . 14.009 1.959 -8.613 1.00 89.91 31 A 1 ATOM 244 C CG . ASP A 0 31 . 16.473 4.075 -5.727 1.00 89.91 31 A 1 ATOM 245 O OD1 . ASP A 0 31 . 17.434 3.546 -5.125 1.00 89.91 31 A 1 ATOM 246 O OD2 . ASP A 0 31 . 16.227 5.302 -5.754 1.00 89.91 31 A 1 ATOM 247 N N . VAL A 0 32 . 15.615 0.391 -8.839 1.00 90.13 32 A 1 ATOM 248 C CA . VAL A 0 32 . 14.777 -0.621 -9.481 1.00 90.13 32 A 1 ATOM 249 C C . VAL A 0 32 . 14.275 -1.559 -8.402 1.00 90.13 32 A 1 ATOM 250 C CB . VAL A 0 32 . 15.505 -1.355 -10.617 1.00 90.13 32 A 1 ATOM 251 O O . VAL A 0 32 . 15.009 -2.019 -7.529 1.00 90.13 32 A 1 ATOM 252 C CG1 . VAL A 0 32 . 14.706 -2.527 -11.204 1.00 90.13 32 A 1 ATOM 253 C CG2 . VAL A 0 32 . 15.750 -0.366 -11.764 1.00 90.13 32 A 1 ATOM 254 N N . GLY A 0 33 . 12.977 -1.803 -8.430 1.00 88.74 33 A 1 ATOM 255 C CA . GLY A 0 33 . 12.341 -2.619 -7.418 1.00 88.74 33 A 1 ATOM 256 C C . GLY A 0 33 . 10.852 -2.368 -7.327 1.00 88.74 33 A 1 ATOM 257 O O . GLY A 0 33 . 10.285 -1.457 -7.946 1.00 88.74 33 A 1 ATOM 258 N N . GLU A 0 34 . 10.223 -3.205 -6.518 1.00 87.17 34 A 1 ATOM 259 C CA . GLU A 0 34 . 8.814 -3.092 -6.197 1.00 87.17 34 A 1 ATOM 260 C C . GLU A 0 34 . 8.665 -2.430 -4.826 1.00 87.17 34 A 1 ATOM 261 C CB . GLU A 0 34 . 8.102 -4.451 -6.293 1.00 87.17 34 A 1 ATOM 262 O O . GLU A 0 34 . 9.004 -2.990 -3.784 1.00 87.17 34 A 1 ATOM 263 C CG . GLU A 0 34 . 8.180 -5.070 -7.706 1.00 87.17 34 A 1 ATOM 264 C CD . GLU A 0 34 . 7.041 -6.067 -8.011 1.00 87.17 34 A 1 ATOM 265 O OE1 . GLU A 0 34 . 6.801 -6.380 -9.200 1.00 87.17 34 A 1 ATOM 266 O OE2 . GLU A 0 34 . 6.254 -6.442 -7.109 1.00 87.17 34 A 1 ATOM 267 N N . SER A 0 35 . 8.123 -1.215 -4.830 1.00 83.94 35 A 1 ATOM 268 C CA . SER A 0 35 . 7.562 -0.600 -3.630 1.00 83.94 35 A 1 ATOM 269 C C . SER A 0 35 . 6.072 -0.923 -3.522 1.00 83.94 35 A 1 ATOM 270 C CB . SER A 0 35 . 7.822 0.910 -3.613 1.00 83.94 35 A 1 ATOM 271 O O . SER A 0 35 . 5.423 -1.272 -4.511 1.00 83.94 35 A 1 ATOM 272 O OG . SER A 0 35 . 7.008 1.582 -4.555 1.00 83.94 35 A 1 ATOM 273 N N . PHE A 0 36 . 5.502 -0.720 -2.333 1.00 80.05 36 A 1 ATOM 274 C CA . PHE A 0 36 . 4.080 -0.952 -2.066 1.00 80.05 36 A 1 ATOM 275 C C . PHE A 0 36 . 3.137 -0.260 -3.068 1.00 80.05 36 A 1 ATOM 276 C CB . PHE A 0 36 . 3.783 -0.491 -0.631 1.00 80.05 36 A 1 ATOM 277 O O . PHE A 0 36 . 2.098 -0.808 -3.414 1.00 80.05 36 A 1 ATOM 278 C CG . PHE A 0 36 . 2.313 -0.564 -0.272 1.00 80.05 36 A 1 ATOM 279 C CD1 . PHE A 0 36 . 1.560 0.617 -0.137 1.00 80.05 36 A 1 ATOM 280 C CD2 . PHE A 0 36 . 1.686 -1.814 -0.123 1.00 80.05 36 A 1 ATOM 281 C CE1 . PHE A 0 36 . 0.178 0.552 0.092 1.00 80.05 36 A 1 ATOM 282 C CE2 . PHE A 0 36 . 0.305 -1.878 0.137 1.00 80.05 36 A 1 ATOM 283 C CZ . PHE A 0 36 . -0.448 -0.695 0.216 1.00 80.05 36 A 1 ATOM 284 N N . LEU A 0 37 . 3.489 0.929 -3.565 1.00 85.79 37 A 1 ATOM 285 C CA . LEU A 0 37 . 2.642 1.681 -4.501 1.00 85.79 37 A 1 ATOM 286 C C . LEU A 0 37 . 3.137 1.628 -5.945 1.00 85.79 37 A 1 ATOM 287 C CB . LEU A 0 37 . 2.548 3.137 -4.021 1.00 85.79 37 A 1 ATOM 288 O O . LEU A 0 37 . 2.356 1.825 -6.878 1.00 85.79 37 A 1 ATOM 289 C CG . LEU A 0 37 . 1.837 3.327 -2.676 1.00 85.79 37 A 1 ATOM 290 C CD1 . LEU A 0 37 . 1.845 4.807 -2.299 1.00 85.79 37 A 1 ATOM 291 C CD2 . LEU A 0 37 . 0.390 2.842 -2.707 1.00 85.79 37 A 1 ATOM 292 N N . TYR A 0 38 . 4.433 1.408 -6.141 1.00 90.21 38 A 1 ATOM 293 C CA . TYR A 0 38 . 5.069 1.654 -7.422 1.00 90.21 38 A 1 ATOM 294 C C . TYR A 0 38 . 6.158 0.644 -7.736 1.00 90.21 38 A 1 ATOM 295 C CB . TYR A 0 38 . 5.652 3.064 -7.447 1.00 90.21 38 A 1 ATOM 296 O O . TYR A 0 38 . 7.018 0.358 -6.909 1.00 90.21 38 A 1 ATOM 297 C CG . TYR A 0 38 . 4.668 4.169 -7.113 1.00 90.21 38 A 1 ATOM 298 C CD1 . TYR A 0 38 . 3.745 4.604 -8.084 1.00 90.21 38 A 1 ATOM 299 C CD2 . TYR A 0 38 . 4.753 4.833 -5.872 1.00 90.21 38 A 1 ATOM 300 C CE1 . TYR A 0 38 . 2.964 5.752 -7.833 1.00 90.21 38 A 1 ATOM 301 C CE2 . TYR A 0 38 . 3.909 5.927 -5.592 1.00 90.21 38 A 1 ATOM 302 O OH . TYR A 0 38 . 2.251 7.488 -6.367 1.00 90.21 38 A 1 ATOM 303 C CZ . TYR A 0 38 . 3.017 6.390 -6.581 1.00 90.21 38 A 1 ATOM 304 N N . GLU A 0 39 . 6.164 0.192 -8.974 1.00 90.55 39 A 1 ATOM 305 C CA . GLU A 0 39 . 7.245 -0.573 -9.569 1.00 90.55 39 A 1 ATOM 306 C C . GLU A 0 39 . 8.099 0.377 -10.401 1.00 90.55 39 A 1 ATOM 307 C CB . GLU A 0 39 . 6.604 -1.690 -10.380 1.00 90.55 39 A 1 ATOM 308 O O . GLU A 0 39 . 7.586 1.123 -11.244 1.00 90.55 39 A 1 ATOM 309 C CG . GLU A 0 39 . 7.577 -2.590 -11.144 1.00 90.55 39 A 1 ATOM 310 C CD . GLU A 0 39 . 6.810 -3.686 -11.905 1.00 90.55 39 A 1 ATOM 311 O OE1 . GLU A 0 39 . 7.462 -4.576 -12.476 1.00 90.55 39 A 1 ATOM 312 O OE2 . GLU A 0 39 . 5.551 -3.619 -11.967 1.00 90.55 39 A 1 ATOM 313 N N . ARG A 0 40 . 9.396 0.401 -10.111 1.00 91.99 40 A 1 ATOM 314 C CA . ARG A 0 40 . 10.378 1.229 -10.811 1.00 91.99 40 A 1 ATOM 315 C C . ARG A 0 40 . 11.231 0.320 -11.677 1.00 91.99 40 A 1 ATOM 316 C CB . ARG A 0 40 . 11.220 2.000 -9.790 1.00 91.99 40 A 1 ATOM 317 O O . ARG A 0 40 . 11.764 -0.664 -11.177 1.00 91.99 40 A 1 ATOM 318 C CG . ARG A 0 40 . 10.425 3.110 -9.087 1.00 91.99 40 A 1 ATOM 319 C CD . ARG A 0 40 . 10.548 4.459 -9.805 1.00 91.99 40 A 1 ATOM 320 N NE . ARG A 0 40 . 11.727 5.202 -9.320 1.00 91.99 40 A 1 ATOM 321 N NH1 . ARG A 0 40 . 10.902 7.330 -9.540 1.00 91.99 40 A 1 ATOM 322 N NH2 . ARG A 0 40 . 12.862 7.009 -8.522 1.00 91.99 40 A 1 ATOM 323 C CZ . ARG A 0 40 . 11.824 6.505 -9.125 1.00 91.99 40 A 1 ATOM 324 N N . TYR A 0 41 . 11.334 0.642 -12.960 1.00 92.22 41 A 1 ATOM 325 C CA . TYR A 0 41 . 12.058 -0.159 -13.946 1.00 92.22 41 A 1 ATOM 326 C C . TYR A 0 41 . 12.786 0.743 -14.943 1.00 92.22 41 A 1 ATOM 327 C CB . TYR A 0 41 . 11.101 -1.139 -14.651 1.00 92.22 41 A 1 ATOM 328 O O . TYR A 0 41 . 12.368 1.878 -15.188 1.00 92.22 41 A 1 ATOM 329 C CG . TYR A 0 41 . 10.007 -0.496 -15.490 1.00 92.22 41 A 1 ATOM 330 C CD1 . TYR A 0 41 . 8.826 -0.041 -14.875 1.00 92.22 41 A 1 ATOM 331 C CD2 . TYR A 0 41 . 10.168 -0.357 -16.883 1.00 92.22 41 A 1 ATOM 332 C CE1 . TYR A 0 41 . 7.822 0.566 -15.649 1.00 92.22 41 A 1 ATOM 333 C CE2 . TYR A 0 41 . 9.159 0.240 -17.663 1.00 92.22 41 A 1 ATOM 334 O OH . TYR A 0 41 . 6.999 1.290 -17.777 1.00 92.22 41 A 1 ATOM 335 C CZ . TYR A 0 41 . 7.980 0.702 -17.042 1.00 92.22 41 A 1 ATOM 336 N N . CYS A 0 42 . 13.872 0.233 -15.522 1.00 92.93 42 A 1 ATOM 337 C CA . CYS A 0 42 . 14.600 0.931 -16.575 1.00 92.93 42 A 1 ATOM 338 C C . CYS A 0 42 . 13.724 1.033 -17.828 1.00 92.93 42 A 1 ATOM 339 C CB . CYS A 0 42 . 15.889 0.175 -16.922 1.00 92.93 42 A 1 ATOM 340 O O . CYS A 0 42 . 13.206 0.025 -18.314 1.00 92.93 42 A 1 ATOM 341 S SG . CYS A 0 42 . 16.992 -0.327 -15.572 1.00 92.93 42 A 1 ATOM 342 N N . CYS A 0 43 . 13.573 2.229 -18.378 1.00 93.09 43 A 1 ATOM 343 C CA . CYS A 0 43 . 12.862 2.441 -19.630 1.00 93.09 43 A 1 ATOM 344 C C . CYS A 0 43 . 13.595 3.453 -20.501 1.00 93.09 43 A 1 ATOM 345 C CB . CYS A 0 43 . 11.444 2.905 -19.315 1.00 93.09 43 A 1 ATOM 346 O O . CYS A 0 43 . 14.603 4.025 -20.098 1.00 93.09 43 A 1 ATOM 347 S SG . CYS A 0 43 . 11.384 4.592 -18.675 1.00 93.09 43 A 1 ATOM 348 N N . LYS A 0 44 . 13.065 3.675 -21.703 1.00 93.20 44 A 1 ATOM 349 C CA . LYS A 0 44 . 13.516 4.751 -22.575 1.00 93.20 44 A 1 ATOM 350 C C . LYS A 0 44 . 12.430 5.795 -22.735 1.00 93.20 44 A 1 ATOM 351 C CB . LYS A 0 44 . 14.007 4.203 -23.916 1.00 93.20 44 A 1 ATOM 352 O O . LYS A 0 44 . 11.259 5.449 -22.899 1.00 93.20 44 A 1 ATOM 353 C CG . LYS A 0 44 . 15.309 3.420 -23.716 1.00 93.20 44 A 1 ATOM 354 C CD . LYS A 0 44 . 15.960 3.084 -25.056 1.00 93.20 44 A 1 ATOM 355 C CE . LYS A 0 44 . 17.366 2.549 -24.772 1.00 93.20 44 A 1 ATOM 356 N NZ . LYS A 0 44 . 18.306 2.912 -25.853 1.00 93.20 44 A 1 ATOM 357 N N . ASN A 0 45 . 12.824 7.060 -22.699 1.00 89.96 45 A 1 ATOM 358 C CA . ASN A 0 45 . 11.926 8.167 -23.001 1.00 89.96 45 A 1 ATOM 359 C C . ASN A 0 45 . 11.657 8.295 -24.512 1.00 89.96 45 A 1 ATOM 360 C CB . ASN A 0 45 . 12.489 9.439 -22.353 1.00 89.96 45 A 1 ATOM 361 O O . ASN A 0 45 . 12.194 7.547 -25.332 1.00 89.96 45 A 1 ATOM 362 C CG . ASN A 0 45 . 13.818 9.926 -22.918 1.00 89.96 45 A 1 ATOM 363 N ND2 . ASN A 0 45 . 14.466 10.830 -22.232 1.00 89.96 45 A 1 ATOM 364 O OD1 . ASN A 0 45 . 14.231 9.564 -24.011 1.00 89.96 45 A 1 ATOM 365 N N . SER A 0 46 . 10.843 9.281 -24.898 1.00 91.78 46 A 1 ATOM 366 C CA . SER A 0 46 . 10.553 9.605 -26.305 1.00 91.78 46 A 1 ATOM 367 C C . SER A 0 46 . 11.807 9.925 -27.131 1.00 91.78 46 A 1 ATOM 368 C CB . SER A 0 46 . 9.587 10.795 -26.364 1.00 91.78 46 A 1 ATOM 369 O O . SER A 0 46 . 11.813 9.736 -28.346 1.00 91.78 46 A 1 ATOM 370 O OG . SER A 0 46 . 10.052 11.857 -25.547 1.00 91.78 46 A 1 ATOM 371 N N . HIS A 0 47 . 12.889 10.357 -26.482 1.00 92.09 47 A 1 ATOM 372 C CA . HIS A 0 47 . 14.185 10.646 -27.097 1.00 92.09 47 A 1 ATOM 373 C C . HIS A 0 47 . 15.146 9.445 -27.103 1.00 92.09 47 A 1 ATOM 374 C CB . HIS A 0 47 . 14.793 11.890 -26.432 1.00 92.09 47 A 1 ATOM 375 O O . HIS A 0 47 . 16.309 9.608 -27.460 1.00 92.09 47 A 1 ATOM 376 C CG . HIS A 0 47 . 13.974 13.124 -26.696 1.00 92.09 47 A 1 ATOM 377 C CD2 . HIS A 0 47 . 13.031 13.676 -25.873 1.00 92.09 47 A 1 ATOM 378 N ND1 . HIS A 0 47 . 14.002 13.874 -27.848 1.00 92.09 47 A 1 ATOM 379 C CE1 . HIS A 0 47 . 13.096 14.857 -27.725 1.00 92.09 47 A 1 ATOM 380 N NE2 . HIS A 0 47 . 12.465 14.765 -26.544 1.00 92.09 47 A 1 ATOM 381 N N . HIS A 0 48 . 14.673 8.239 -26.763 1.00 88.29 48 A 1 ATOM 382 C CA . HIS A 0 48 . 15.460 6.996 -26.735 1.00 88.29 48 A 1 ATOM 383 C C . HIS A 0 48 . 16.624 7.003 -25.726 1.00 88.29 48 A 1 ATOM 384 C CB . HIS A 0 48 . 15.907 6.585 -28.151 1.00 88.29 48 A 1 ATOM 385 O O . HIS A 0 48 . 17.527 6.161 -25.816 1.00 88.29 48 A 1 ATOM 386 C CG . HIS A 0 48 . 14.787 6.398 -29.142 1.00 88.29 48 A 1 ATOM 387 C CD2 . HIS A 0 48 . 14.588 5.295 -29.928 1.00 88.29 48 A 1 ATOM 388 N ND1 . HIS A 0 48 . 13.793 7.300 -29.460 1.00 88.29 48 A 1 ATOM 389 C CE1 . HIS A 0 48 . 13.014 6.748 -30.400 1.00 88.29 48 A 1 ATOM 390 N NE2 . HIS A 0 48 . 13.458 5.522 -30.716 1.00 88.29 48 A 1 ATOM 391 N N . GLN A 0 49 . 16.587 7.923 -24.761 1.00 90.57 49 A 1 ATOM 392 C CA . GLN A 0 49 . 17.544 8.016 -23.663 1.00 90.57 49 A 1 ATOM 393 C C . GLN A 0 49 . 17.082 7.147 -22.495 1.00 90.57 49 A 1 ATOM 394 C CB . GLN A 0 49 . 17.706 9.475 -23.223 1.00 90.57 49 A 1 ATOM 395 O O . GLN A 0 49 . 15.878 6.960 -22.300 1.00 90.57 49 A 1 ATOM 396 C CG . GLN A 0 49 . 18.229 10.384 -24.345 1.00 90.57 49 A 1 ATOM 397 C CD . GLN A 0 49 . 18.220 11.857 -23.960 1.00 90.57 49 A 1 ATOM 398 N NE2 . GLN A 0 49 . 19.051 12.669 -24.575 1.00 90.57 49 A 1 ATOM 399 O OE1 . GLN A 0 49 . 17.448 12.321 -23.139 1.00 90.57 49 A 1 ATOM 400 N N . ASP A 0 50 . 18.044 6.607 -21.749 1.00 92.91 50 A 1 ATOM 401 C CA . ASP A 0 50 . 17.769 5.770 -20.584 1.00 92.91 50 A 1 ATOM 402 C C . ASP A 0 50 . 17.191 6.624 -19.449 1.00 92.91 50 A 1 ATOM 403 C CB . ASP A 0 50 . 19.037 5.037 -20.123 1.00 92.91 50 A 1 ATOM 404 O O . ASP A 0 50 . 17.792 7.618 -19.047 1.00 92.91 50 A 1 ATOM 405 C CG . ASP A 0 50 . 19.727 4.231 -21.228 1.00 92.91 50 A 1 ATOM 406 O OD1 . ASP A 0 50 . 19.027 3.540 -22.012 1.00 92.91 50 A 1 ATOM 407 O OD2 . ASP A 0 50 . 20.976 4.328 -21.296 1.00 92.91 50 A 1 ATOM 408 N N . ASP A 0 51 . 16.032 6.219 -18.933 1.00 93.03 51 A 1 ATOM 409 C CA . ASP A 0 51 . 15.298 6.912 -17.878 1.00 93.03 51 A 1 ATOM 410 C C . ASP A 0 51 . 14.695 5.919 -16.869 1.00 93.03 51 A 1 ATOM 411 C CB . ASP A 0 51 . 14.201 7.806 -18.495 1.00 93.03 51 A 1 ATOM 412 O O . ASP A 0 51 . 14.466 4.736 -17.149 1.00 93.03 51 A 1 ATOM 413 C CG . ASP A 0 51 . 14.641 9.261 -18.697 1.00 93.03 51 A 1 ATOM 414 O OD1 . ASP A 0 51 . 15.286 9.804 -17.777 1.00 93.03 51 A 1 ATOM 415 O OD2 . ASP A 0 51 . 14.203 9.872 -19.699 1.00 93.03 51 A 1 ATOM 416 N N . CYS A 0 52 . 14.403 6.410 -15.663 1.00 92.13 52 A 1 ATOM 417 C CA . CYS A 0 52 . 13.769 5.617 -14.612 1.00 92.13 52 A 1 ATOM 418 C C . CYS A 0 52 . 12.235 5.705 -14.712 1.00 92.13 52 A 1 ATOM 419 C CB . CYS A 0 52 . 14.261 6.079 -13.231 1.00 92.13 52 A 1 ATOM 420 O O . CYS A 0 52 . 11.624 6.651 -14.203 1.00 92.13 52 A 1 ATOM 421 S SG . CYS A 0 52 . 16.045 6.300 -12.984 1.00 92.13 52 A 1 ATOM 422 N N . CYS A 0 53 . 11.580 4.701 -15.302 1.00 92.88 53 A 1 ATOM 423 C CA . CYS A 0 53 . 10.118 4.648 -15.345 1.00 92.88 53 A 1 ATOM 424 C C . CYS A 0 53 . 9.511 4.170 -14.030 1.00 92.88 53 A 1 ATOM 425 C CB . CYS A 0 53 . 9.600 3.791 -16.498 1.00 92.88 53 A 1 ATOM 426 O O . CYS A 0 53 . 10.111 3.435 -13.246 1.00 92.88 53 A 1 ATOM 427 S SG . CYS A 0 53 . 9.491 4.684 -18.058 1.00 92.88 53 A 1 ATOM 428 N N . LYS A 0 54 . 8.263 4.585 -13.805 1.00 92.73 54 A 1 ATOM 429 C CA . LYS A 0 54 . 7.482 4.273 -12.612 1.00 92.73 54 A 1 ATOM 430 C C . LYS A 0 54 . 6.073 3.852 -13.016 1.00 92.73 54 A 1 ATOM 431 C CB . LYS A 0 54 . 7.499 5.520 -11.722 1.00 92.73 54 A 1 ATOM 432 O O . LYS A 0 54 . 5.368 4.618 -13.668 1.00 92.73 54 A 1 ATOM 433 C CG . LYS A 0 54 . 6.825 5.305 -10.368 1.00 92.73 54 A 1 ATOM 434 C CD . LYS A 0 54 . 6.964 6.584 -9.528 1.00 92.73 54 A 1 ATOM 435 C CE . LYS A 0 54 . 6.142 6.397 -8.268 1.00 92.73 54 A 1 ATOM 436 N NZ . LYS A 0 54 . 6.102 7.558 -7.354 1.00 92.73 54 A 1 ATOM 437 N N . LYS A 0 55 . 5.643 2.666 -12.589 1.00 93.06 55 A 1 ATOM 438 C CA . LYS A 0 55 . 4.294 2.133 -12.822 1.00 93.06 55 A 1 ATOM 439 C C . LYS A 0 55 . 3.568 1.925 -11.503 1.00 93.06 55 A 1 ATOM 440 C CB . LYS A 0 55 . 4.411 0.849 -13.649 1.00 93.06 55 A 1 ATOM 441 O O . LYS A 0 55 . 4.134 1.394 -10.555 1.00 93.06 55 A 1 ATOM 442 C CG . LYS A 0 55 . 3.061 0.240 -14.043 1.00 93.06 55 A 1 ATOM 443 C CD . LYS A 0 55 . 3.310 -0.938 -14.992 1.00 93.06 55 A 1 ATOM 444 C CE . LYS A 0 55 . 1.994 -1.515 -15.519 1.00 93.06 55 A 1 ATOM 445 N NZ . LYS A 0 55 . 2.261 -2.622 -16.471 1.00 93.06 55 A 1 ATOM 446 N N . VAL A 0 56 . 2.308 2.349 -11.435 1.00 91.74 56 A 1 ATOM 447 C CA . VAL A 0 56 . 1.459 2.143 -10.252 1.00 91.74 56 A 1 ATOM 448 C C . VAL A 0 56 . 1.086 0.668 -10.136 1.00 91.74 56 A 1 ATOM 449 C CB . VAL A 0 56 . 0.186 3.010 -10.293 1.00 91.74 56 A 1 ATOM 450 O O . VAL A 0 56 . 0.585 0.068 -11.092 1.00 91.74 56 A 1 ATOM 451 C CG1 . VAL A 0 56 . -0.641 2.841 -9.011 1.00 91.74 56 A 1 ATOM 452 C CG2 . VAL A 0 56 . 0.524 4.496 -10.428 1.00 91.74 56 A 1 ATOM 453 N N . ARG A 0 57 . 1.294 0.090 -8.952 1.00 87.36 57 A 1 ATOM 454 C CA . ARG A 0 57 . 0.882 -1.278 -8.628 1.00 87.36 57 A 1 ATOM 455 C C . ARG A 0 57 . -0.500 -1.238 -7.991 1.00 87.36 57 A 1 ATOM 456 C CB . ARG A 0 57 . 1.936 -1.951 -7.730 1.00 87.36 57 A 1 ATOM 457 O O . ARG A 0 57 . -0.653 -1.023 -6.797 1.00 87.36 57 A 1 ATOM 458 C CG . ARG A 0 57 . 3.289 -2.155 -8.433 1.00 87.36 57 A 1 ATOM 459 C CD . ARG A 0 57 . 3.260 -3.241 -9.520 1.00 87.36 57 A 1 ATOM 460 N NE . ARG A 0 57 . 3.329 -4.599 -8.950 1.00 87.36 57 A 1 ATOM 461 N NH1 . ARG A 0 57 . 4.339 -5.683 -10.737 1.00 87.36 57 A 1 ATOM 462 N NH2 . ARG A 0 57 . 4.064 -6.734 -8.822 1.00 87.36 57 A 1 ATOM 463 C CZ . ARG A 0 57 . 3.888 -5.655 -9.519 1.00 87.36 57 A 1 ATOM 464 N N . TRP A 0 58 . -1.523 -1.484 -8.801 1.00 85.99 58 A 1 ATOM 465 C CA . TRP A 0 58 . -2.911 -1.486 -8.333 1.00 85.99 58 A 1 ATOM 466 C C . TRP A 0 58 . -3.210 -2.623 -7.353 1.00 85.99 58 A 1 ATOM 467 C CB . TRP A 0 58 . -3.831 -1.541 -9.552 1.00 85.99 58 A 1 ATOM 468 O O . TRP A 0 58 . -3.962 -2.433 -6.409 1.00 85.99 58 A 1 ATOM 469 C CG . TRP A 0 58 . -3.659 -0.368 -10.463 1.00 85.99 58 A 1 ATOM 470 C CD1 . TRP A 0 58 . -2.912 -0.329 -11.590 1.00 85.99 58 A 1 ATOM 471 C CD2 . TRP A 0 58 . -4.214 0.972 -10.303 1.00 85.99 58 A 1 ATOM 472 C CE2 . TRP A 0 58 . -3.762 1.779 -11.388 1.00 85.99 58 A 1 ATOM 473 C CE3 . TRP A 0 58 . -5.056 1.584 -9.349 1.00 85.99 58 A 1 ATOM 474 N NE1 . TRP A 0 58 . -2.970 0.937 -12.138 1.00 85.99 58 A 1 ATOM 475 C CH2 . TRP A 0 58 . -4.979 3.700 -10.570 1.00 85.99 58 A 1 ATOM 476 C CZ2 . TRP A 0 58 . -4.132 3.122 -11.531 1.00 85.99 58 A 1 ATOM 477 C CZ3 . TRP A 0 58 . -5.436 2.933 -9.483 1.00 85.99 58 A 1 ATOM 478 N N . LYS A 0 59 . -2.576 -3.788 -7.527 1.00 83.40 59 A 1 ATOM 479 C CA . LYS A 0 59 . -2.818 -4.988 -6.711 1.00 83.40 59 A 1 ATOM 480 C C . LYS A 0 59 . -2.665 -4.754 -5.194 1.00 83.40 59 A 1 ATOM 481 C CB . LYS A 0 59 . -1.965 -6.145 -7.257 1.00 83.40 59 A 1 ATOM 482 O O . LYS A 0 59 . -3.636 -5.012 -4.484 1.00 83.40 59 A 1 ATOM 483 C CG . LYS A 0 59 . -2.272 -7.485 -6.576 1.00 83.40 59 A 1 ATOM 484 C CD . LYS A 0 59 . -1.456 -8.612 -7.224 1.00 83.40 59 A 1 ATOM 485 C CE . LYS A 0 59 . -1.802 -9.963 -6.587 1.00 83.40 59 A 1 ATOM 486 N NZ . LYS A 0 59 . -1.006 -11.069 -7.179 1.00 83.40 59 A 1 ATOM 487 N N . PRO A 0 60 . -1.522 -4.265 -4.673 1.00 81.59 60 A 1 ATOM 488 C CA . PRO A 0 60 . -1.379 -3.987 -3.241 1.00 81.59 60 A 1 ATOM 489 C C . PRO A 0 60 . -2.371 -2.927 -2.744 1.00 81.59 60 A 1 ATOM 490 C CB . PRO A 0 60 . 0.077 -3.551 -3.049 1.00 81.59 60 A 1 ATOM 491 O O . PRO A 0 60 . -2.972 -3.115 -1.692 1.00 81.59 60 A 1 ATOM 492 C CG . PRO A 0 60 . 0.507 -3.074 -4.431 1.00 81.59 60 A 1 ATOM 493 C CD . PRO A 0 60 . -0.269 -3.990 -5.359 1.00 81.59 60 A 1 ATOM 494 N N . ILE A 0 61 . -2.627 -1.876 -3.531 1.00 83.68 61 A 1 ATOM 495 C CA . ILE A 0 61 . -3.601 -0.825 -3.189 1.00 83.68 61 A 1 ATOM 496 C C . ILE A 0 61 . -5.003 -1.423 -3.024 1.00 83.68 61 A 1 ATOM 497 C CB . ILE A 0 61 . -3.588 0.295 -4.259 1.00 83.68 61 A 1 ATOM 498 O O . ILE A 0 61 . -5.662 -1.199 -2.009 1.00 83.68 61 A 1 ATOM 499 C CG1 . ILE A 0 61 . -2.192 0.954 -4.343 1.00 83.68 61 A 1 ATOM 500 C CG2 . ILE A 0 61 . -4.665 1.355 -3.954 1.00 83.68 61 A 1 ATOM 501 C CD1 . ILE A 0 61 . -2.024 1.916 -5.526 1.00 83.68 61 A 1 ATOM 502 N N . THR A 0 62 . -5.451 -2.220 -3.996 1.00 84.57 62 A 1 ATOM 503 C CA . THR A 0 62 . -6.764 -2.873 -3.967 1.00 84.57 62 A 1 ATOM 504 C C . THR A 0 62 . -6.888 -3.815 -2.777 1.00 84.57 62 A 1 ATOM 505 C CB . THR A 0 62 . -7.010 -3.652 -5.267 1.00 84.57 62 A 1 ATOM 506 O O . THR A 0 62 . -7.902 -3.782 -2.084 1.00 84.57 62 A 1 ATOM 507 C CG2 . THR A 0 62 . -8.400 -4.283 -5.325 1.00 84.57 62 A 1 ATOM 508 O OG1 . THR A 0 62 . -6.923 -2.793 -6.379 1.00 84.57 62 A 1 ATOM 509 N N . ILE A 0 63 . -5.856 -4.616 -2.499 1.00 85.37 63 A 1 ATOM 510 C CA . ILE A 0 63 . -5.852 -5.532 -1.352 1.00 85.37 63 A 1 ATOM 511 C C . ILE A 0 63 . -5.994 -4.744 -0.049 1.00 85.37 63 A 1 ATOM 512 C CB . ILE A 0 63 . -4.588 -6.419 -1.369 1.00 85.37 63 A 1 ATOM 513 O O . ILE A 0 63 . -6.861 -5.071 0.759 1.00 85.37 63 A 1 ATOM 514 C CG1 . ILE A 0 63 . -4.657 -7.405 -2.558 1.00 85.37 63 A 1 ATOM 515 C CG2 . ILE A 0 63 . -4.441 -7.207 -0.052 1.00 85.37 63 A 1 ATOM 516 C CD1 . ILE A 0 63 . -3.313 -8.071 -2.880 1.00 85.37 63 A 1 ATOM 517 N N . THR A 0 64 . -5.215 -3.679 0.143 1.00 83.38 64 A 1 ATOM 518 C CA . THR A 0 64 . -5.301 -2.849 1.351 1.00 83.38 64 A 1 ATOM 519 C C . THR A 0 64 . -6.691 -2.243 1.528 1.00 83.38 64 A 1 ATOM 520 C CB . THR A 0 64 . -4.222 -1.763 1.319 1.00 83.38 64 A 1 ATOM 521 O O . THR A 0 64 . -7.249 -2.323 2.622 1.00 83.38 64 A 1 ATOM 522 C CG2 . THR A 0 64 . -4.244 -0.833 2.530 1.00 83.38 64 A 1 ATOM 523 O OG1 . THR A 0 64 . -2.970 -2.398 1.330 1.00 83.38 64 A 1 ATOM 524 N N . VAL A 0 65 . -7.301 -1.712 0.465 1.00 85.80 65 A 1 ATOM 525 C CA . VAL A 0 65 . -8.668 -1.164 0.523 1.00 85.80 65 A 1 ATOM 526 C C . VAL A 0 65 . -9.692 -2.251 0.871 1.00 85.80 65 A 1 ATOM 527 C CB . VAL A 0 65 . -9.019 -0.450 -0.797 1.00 85.80 65 A 1 ATOM 528 O O . VAL A 0 65 . -10.519 -2.051 1.761 1.00 85.80 65 A 1 ATOM 529 C CG1 . VAL A 0 65 . -10.481 0.009 -0.840 1.00 85.80 65 A 1 ATOM 530 C CG2 . VAL A 0 65 . -8.151 0.802 -0.987 1.00 85.80 65 A 1 ATOM 531 N N . CYS A 0 66 . -9.616 -3.423 0.236 1.00 85.52 66 A 1 ATOM 532 C CA . CYS A 0 66 . -10.508 -4.548 0.524 1.00 85.52 66 A 1 ATOM 533 C C . CYS A 0 66 . -10.383 -5.042 1.969 1.00 85.52 66 A 1 ATOM 534 C CB . CYS A 0 66 . -10.210 -5.698 -0.445 1.00 85.52 66 A 1 ATOM 535 O O . CYS A 0 66 . -11.399 -5.327 2.599 1.00 85.52 66 A 1 ATOM 536 S SG . CYS A 0 66 . -10.954 -5.366 -2.065 1.00 85.52 66 A 1 ATOM 537 N N . VAL A 0 67 . -9.165 -5.122 2.509 1.00 85.07 67 A 1 ATOM 538 C CA . VAL A 0 67 . -8.927 -5.539 3.899 1.00 85.07 67 A 1 ATOM 539 C C . VAL A 0 67 . -9.548 -4.534 4.867 1.00 85.07 67 A 1 ATOM 540 C CB . VAL A 0 67 . -7.420 -5.723 4.165 1.00 85.07 67 A 1 ATOM 541 O O . VAL A 0 67 . -10.267 -4.936 5.777 1.00 85.07 67 A 1 ATOM 542 C CG1 . VAL A 0 67 . -7.100 -5.957 5.649 1.00 85.07 67 A 1 ATOM 543 C CG2 . VAL A 0 67 . -6.875 -6.938 3.400 1.00 85.07 67 A 1 ATOM 544 N N . VAL A 0 68 . -9.340 -3.232 4.652 1.00 84.03 68 A 1 ATOM 545 C CA . VAL A 0 68 . -9.924 -2.183 5.505 1.00 84.03 68 A 1 ATOM 546 C C . VAL A 0 68 . -11.454 -2.253 5.494 1.00 84.03 68 A 1 ATOM 547 C CB . VAL A 0 68 . -9.416 -0.794 5.074 1.00 84.03 68 A 1 ATOM 548 O O . VAL A 0 68 . -12.077 -2.267 6.556 1.00 84.03 68 A 1 ATOM 549 C CG1 . VAL A 0 68 . -10.135 0.348 5.804 1.00 84.03 68 A 1 ATOM 550 C CG2 . VAL A 0 68 . -7.919 -0.650 5.380 1.00 84.03 68 A 1 ATOM 551 N N . ILE A 0 69 . -12.065 -2.364 4.311 1.00 87.63 69 A 1 ATOM 552 C CA . ILE A 0 69 . -13.524 -2.473 4.169 1.00 87.63 69 A 1 ATOM 553 C C . ILE A 0 69 . -14.041 -3.771 4.803 1.00 87.63 69 A 1 ATOM 554 C CB . ILE A 0 69 . -13.923 -2.352 2.680 1.00 87.63 69 A 1 ATOM 555 O O . ILE A 0 69 . -15.019 -3.743 5.548 1.00 87.63 69 A 1 ATOM 556 C CG1 . ILE A 0 69 . -13.607 -0.933 2.154 1.00 87.63 69 A 1 ATOM 557 C CG2 . ILE A 0 69 . -15.418 -2.664 2.484 1.00 87.63 69 A 1 ATOM 558 C CD1 . ILE A 0 69 . -13.741 -0.800 0.632 1.00 87.63 69 A 1 ATOM 559 N N . GLY A 0 70 . -13.375 -4.901 4.560 1.00 84.69 70 A 1 ATOM 560 C CA . GLY A 0 70 . -13.753 -6.199 5.116 1.00 84.69 70 A 1 ATOM 561 C C . GLY A 0 70 . -13.714 -6.215 6.643 1.00 84.69 70 A 1 ATOM 562 O O . GLY A 0 70 . -14.636 -6.725 7.275 1.00 84.69 70 A 1 ATOM 563 N N . VAL A 0 71 . -12.699 -5.591 7.248 1.00 82.98 71 A 1 ATOM 564 C CA . VAL A 0 71 . -12.588 -5.465 8.709 1.00 82.98 71 A 1 ATOM 565 C C . VAL A 0 71 . -13.673 -4.551 9.268 1.00 82.98 71 A 1 ATOM 566 C CB . VAL A 0 71 . -11.181 -4.984 9.109 1.00 82.98 71 A 1 ATOM 567 O O . VAL A 0 71 . -14.280 -4.895 10.281 1.00 82.98 71 A 1 ATOM 568 C CG1 . VAL A 0 71 . -11.066 -4.679 10.610 1.00 82.98 71 A 1 ATOM 569 C CG2 . VAL A 0 71 . -10.151 -6.075 8.792 1.00 82.98 71 A 1 ATOM 570 N N . LEU A 0 72 . -13.967 -3.426 8.609 1.00 82.46 72 A 1 ATOM 571 C CA . LEU A 0 72 . -15.071 -2.552 9.009 1.00 82.46 72 A 1 ATOM 572 C C . LEU A 0 72 . -16.404 -3.308 8.987 1.00 82.46 72 A 1 ATOM 573 C CB . LEU A 0 72 . -15.116 -1.308 8.104 1.00 82.46 72 A 1 ATOM 574 O O . LEU A 0 72 . -17.098 -3.336 10.000 1.00 82.46 72 A 1 ATOM 575 C CG . LEU A 0 72 . -14.017 -0.272 8.400 1.00 82.46 72 A 1 ATOM 576 C CD1 . LEU A 0 72 . -13.986 0.773 7.286 1.00 82.46 72 A 1 ATOM 577 C CD2 . LEU A 0 72 . -14.262 0.452 9.728 1.00 82.46 72 A 1 ATOM 578 N N . ILE A 0 73 . -16.729 -3.991 7.888 1.00 86.02 73 A 1 ATOM 579 C CA . ILE A 0 73 . -17.968 -4.774 7.763 1.00 86.02 73 A 1 ATOM 580 C C . ILE A 0 73 . -18.026 -5.879 8.821 1.00 86.02 73 A 1 ATOM 581 C CB . ILE A 0 73 . -18.090 -5.348 6.334 1.00 86.02 73 A 1 ATOM 582 O O . ILE A 0 73 . -19.055 -6.061 9.471 1.00 86.02 73 A 1 ATOM 583 C CG1 . ILE A 0 73 . -18.295 -4.204 5.316 1.00 86.02 73 A 1 ATOM 584 C CG2 . ILE A 0 73 . -19.255 -6.352 6.238 1.00 86.02 73 A 1 ATOM 585 C CD1 . ILE A 0 73 . -18.130 -4.653 3.859 1.00 86.02 73 A 1 ATOM 586 N N . LEU A 0 74 . -16.919 -6.589 9.049 1.00 82.30 74 A 1 ATOM 587 C CA . LEU A 0 74 . -16.857 -7.640 10.058 1.00 82.30 74 A 1 ATOM 588 C C . LEU A 0 74 . -17.101 -7.082 11.466 1.00 82.30 74 A 1 ATOM 589 C CB . LEU A 0 74 . -15.501 -8.354 9.946 1.00 82.30 74 A 1 ATOM 590 O O . LEU A 0 74 . -17.854 -7.676 12.230 1.00 82.30 74 A 1 ATOM 591 C CG . LEU A 0 74 . -15.379 -9.597 10.841 1.00 82.30 74 A 1 ATOM 592 C CD1 . LEU A 0 74 . -16.311 -10.725 10.394 1.00 82.30 74 A 1 ATOM 593 C CD2 . LEU A 0 74 . -13.941 -10.112 10.814 1.00 82.30 74 A 1 ATOM 594 N N . ILE A 0 75 . -16.526 -5.926 11.810 1.00 77.85 75 A 1 ATOM 595 C CA . ILE A 0 75 . -16.768 -5.259 13.100 1.00 77.85 75 A 1 ATOM 596 C C . ILE A 0 75 . -18.239 -4.863 13.241 1.00 77.85 75 A 1 ATOM 597 C CB . ILE A 0 75 . -15.838 -4.036 13.264 1.00 77.85 75 A 1 ATOM 598 O O . ILE A 0 75 . -18.809 -5.042 14.320 1.00 77.85 75 A 1 ATOM 599 C CG1 . ILE A 0 75 . -14.379 -4.504 13.456 1.00 77.85 75 A 1 ATOM 600 C CG2 . ILE A 0 75 . -16.252 -3.160 14.467 1.00 77.85 75 A 1 ATOM 601 C CD1 . ILE A 0 75 . -13.356 -3.385 13.224 1.00 77.85 75 A 1 ATOM 602 N N . TRP A 0 76 . -18.861 -4.357 12.175 1.00 80.38 76 A 1 ATOM 603 C CA . TRP A 0 76 . -20.284 -4.018 12.165 1.00 80.38 76 A 1 ATOM 604 C C . TRP A 0 76 . -21.152 -5.252 12.418 1.00 80.38 76 A 1 ATOM 605 C CB . TRP A 0 76 . -20.642 -3.341 10.839 1.00 80.38 76 A 1 ATOM 606 O O . TRP A 0 76 . -21.960 -5.253 13.344 1.00 80.38 76 A 1 ATOM 607 C CG . TRP A 0 76 . -20.404 -1.865 10.795 1.00 80.38 76 A 1 ATOM 608 C CD1 . TRP A 0 76 . -19.214 -1.229 10.893 1.00 80.38 76 A 1 ATOM 609 C CD2 . TRP A 0 76 . -21.403 -0.808 10.695 1.00 80.38 76 A 1 ATOM 610 C CE2 . TRP A 0 76 . -20.731 0.450 10.691 1.00 80.38 76 A 1 ATOM 611 C CE3 . TRP A 0 76 . -22.812 -0.788 10.632 1.00 80.38 76 A 1 ATOM 612 N NE1 . TRP A 0 76 . -19.397 0.133 10.791 1.00 80.38 76 A 1 ATOM 613 C CH2 . TRP A 0 76 . -22.819 1.654 10.552 1.00 80.38 76 A 1 ATOM 614 C CZ2 . TRP A 0 76 . -21.416 1.669 10.615 1.00 80.38 76 A 1 ATOM 615 C CZ3 . TRP A 0 76 . -23.513 0.430 10.564 1.00 80.38 76 A 1 ATOM 616 N N . ILE A 0 77 . -20.923 -6.335 11.672 1.00 81.46 77 A 1 ATOM 617 C CA . ILE A 0 77 . -21.669 -7.590 11.825 1.00 81.46 77 A 1 ATOM 618 C C . ILE A 0 77 . -21.446 -8.185 13.215 1.00 81.46 77 A 1 ATOM 619 C CB . ILE A 0 77 . -21.290 -8.591 10.712 1.00 81.46 77 A 1 ATOM 620 O O . ILE A 0 77 . -22.411 -8.542 13.878 1.00 81.46 77 A 1 ATOM 621 C CG1 . ILE A 0 77 . -21.734 -8.050 9.333 1.00 81.46 77 A 1 ATOM 622 C CG2 . ILE A 0 77 . -21.938 -9.968 10.967 1.00 81.46 77 A 1 ATOM 623 C CD1 . ILE A 0 77 . -21.141 -8.834 8.157 1.00 81.46 77 A 1 ATOM 624 N N . LEU A 0 78 . -20.204 -8.255 13.701 1.00 76.42 78 A 1 ATOM 625 C CA . LEU A 0 78 . -19.901 -8.768 15.040 1.00 76.42 78 A 1 ATOM 626 C C . LEU A 0 78 . -20.576 -7.930 16.132 1.00 76.42 78 A 1 ATOM 627 C CB . LEU A 0 78 . -18.378 -8.789 15.259 1.00 76.42 78 A 1 ATOM 628 O O . LEU A 0 78 . -21.097 -8.491 17.093 1.00 76.42 78 A 1 ATOM 629 C CG . LEU A 0 78 . -17.621 -9.873 14.470 1.00 76.42 78 A 1 ATOM 630 C CD1 . LEU A 0 78 . -16.116 -9.635 14.611 1.00 76.42 78 A 1 ATOM 631 C CD2 . LEU A 0 78 . -17.898 -11.271 15.004 1.00 76.42 78 A 1 ATOM 632 N N . SER A 0 79 . -20.612 -6.604 15.975 1.00 71.21 79 A 1 ATOM 633 C CA . SER A 0 79 . -21.306 -5.710 16.914 1.00 71.21 79 A 1 ATOM 634 C C . SER A 0 79 . -22.817 -5.965 16.937 1.00 71.21 79 A 1 ATOM 635 C CB . SER A 0 79 . -21.026 -4.242 16.580 1.00 71.21 79 A 1 ATOM 636 O O . SER A 0 79 . -23.426 -5.886 18.005 1.00 71.21 79 A 1 ATOM 637 O OG . SER A 0 79 . -19.636 -3.986 16.653 1.00 71.21 79 A 1 ATOM 638 N N . CYS A 0 80 . -23.407 -6.327 15.792 1.00 71.42 80 A 1 ATOM 639 C CA . CYS A 0 80 . -24.811 -6.721 15.686 1.00 71.42 80 A 1 ATOM 640 C C . CYS A 0 80 . -25.085 -8.135 16.235 1.00 71.42 80 A 1 ATOM 641 C CB . CYS A 0 80 . -25.262 -6.591 14.222 1.00 71.42 80 A 1 ATOM 642 O O . CYS A 0 80 . -26.022 -8.319 17.009 1.00 71.42 80 A 1 ATOM 643 S SG . CYS A 0 80 . -25.227 -4.857 13.681 1.00 71.42 80 A 1 ATOM 644 N N . VAL A 0 81 . -24.270 -9.128 15.858 1.00 68.78 81 A 1 ATOM 645 C CA . VAL A 0 81 . -24.473 -10.562 16.150 1.00 68.78 81 A 1 ATOM 646 C C . VAL A 0 81 . -24.180 -10.904 17.610 1.00 68.78 81 A 1 ATOM 647 C CB . VAL A 0 81 . -23.624 -11.439 15.202 1.00 68.78 81 A 1 ATOM 648 O O . VAL A 0 81 . -24.934 -11.658 18.216 1.00 68.78 81 A 1 ATOM 649 C CG1 . VAL A 0 81 . -23.665 -12.931 15.564 1.00 68.78 81 A 1 ATOM 650 C CG2 . VAL A 0 81 . -24.121 -11.326 13.755 1.00 68.78 81 A 1 ATOM 651 N N . PHE A 0 82 . -23.143 -10.320 18.221 1.00 65.53 82 A 1 ATOM 652 C CA . PHE A 0 82 . -22.831 -10.559 19.639 1.00 65.53 82 A 1 ATOM 653 C C . PHE A 0 82 . -23.777 -9.828 20.610 1.00 65.53 82 A 1 ATOM 654 C CB . PHE A 0 82 . -21.338 -10.298 19.918 1.00 65.53 82 A 1 ATOM 655 O O . PHE A 0 82 . -23.489 -9.741 21.802 1.00 65.53 82 A 1 ATOM 656 C CG . PHE A 0 82 . -20.455 -11.469 19.538 1.00 65.53 82 A 1 ATOM 657 C CD1 . PHE A 0 82 . -20.266 -12.511 20.466 1.00 65.53 82 A 1 ATOM 658 C CD2 . PHE A 0 82 . -19.872 -11.562 18.260 1.00 65.53 82 A 1 ATOM 659 C CE1 . PHE A 0 82 . -19.488 -13.631 20.131 1.00 65.53 82 A 1 ATOM 660 C CE2 . PHE A 0 82 . -19.116 -12.701 17.922 1.00 65.53 82 A 1 ATOM 661 C CZ . PHE A 0 82 . -18.910 -13.725 18.857 1.00 65.53 82 A 1 ATOM 662 N N . GLY A 0 83 . -24.902 -9.276 20.137 1.00 57.19 83 A 1 ATOM 663 C CA . GLY A 0 83 . -25.923 -8.676 21.004 1.00 57.19 83 A 1 ATOM 664 C C . GLY A 0 83 . -25.461 -7.420 21.754 1.00 57.19 83 A 1 ATOM 665 O O . GLY A 0 83 . -26.196 -6.881 22.583 1.00 57.19 83 A 1 ATOM 666 N N . LEU A 0 84 . -24.275 -6.891 21.432 1.00 51.66 84 A 1 ATOM 667 C CA . LEU A 0 84 . -23.760 -5.627 21.958 1.00 51.66 84 A 1 ATOM 668 C C . LEU A 0 84 . -24.511 -4.410 21.395 1.00 51.66 84 A 1 ATOM 669 C CB . LEU A 0 84 . -22.240 -5.548 21.728 1.00 51.66 84 A 1 ATOM 670 O O . LEU A 0 84 . -24.217 -3.289 21.805 1.00 51.66 84 A 1 ATOM 671 C CG . LEU A 0 84 . -21.423 -6.393 22.725 1.00 51.66 84 A 1 ATOM 672 C CD1 . LEU A 0 84 . -20.017 -6.620 22.172 1.00 51.66 84 A 1 ATOM 673 C CD2 . LEU A 0 84 . -21.287 -5.695 24.083 1.00 51.66 84 A 1 ATOM 674 N N . CYS A 0 85 . -25.548 -4.606 20.572 1.00 49.62 85 A 1 ATOM 675 C CA . CYS A 0 85 . -26.549 -3.592 20.233 1.00 49.62 85 A 1 ATOM 676 C C . CYS A 0 85 . -27.154 -2.872 21.451 1.00 49.62 85 A 1 ATOM 677 C CB . CYS A 0 85 . -27.678 -4.232 19.413 1.00 49.62 85 A 1 ATOM 678 O O . CYS A 0 85 . -27.734 -1.813 21.270 1.00 49.62 85 A 1 ATOM 679 S SG . CYS A 0 85 . -27.095 -4.588 17.737 1.00 49.62 85 A 1 ATOM 680 N N . LYS A 0 86 . -27.026 -3.386 22.685 1.00 49.93 86 A 1 ATOM 681 C CA . LYS A 0 86 . -27.417 -2.634 23.895 1.00 49.93 86 A 1 ATOM 682 C C . LYS A 0 86 . -26.274 -1.890 24.590 1.00 49.93 86 A 1 ATOM 683 C CB . LYS A 0 86 . -28.183 -3.537 24.869 1.00 49.93 86 A 1 ATOM 684 O O . LYS A 0 86 . -26.545 -0.902 25.255 1.00 49.93 86 A 1 ATOM 685 C CG . LYS A 0 86 . -29.571 -3.889 24.311 1.00 49.93 86 A 1 ATOM 686 C CD . LYS A 0 86 . -30.426 -4.603 25.363 1.00 49.93 86 A 1 ATOM 687 C CE . LYS A 0 86 . -31.818 -4.893 24.789 1.00 49.93 86 A 1 ATOM 688 N NZ . LYS A 0 86 . -32.631 -5.722 25.715 1.00 49.93 86 A 1 ATOM 689 N N . CYS A 0 87 . -25.014 -2.296 24.430 1.00 48.84 87 A 1 ATOM 690 C CA . CYS A 0 87 . -23.882 -1.646 25.112 1.00 48.84 87 A 1 ATOM 691 C C . CYS A 0 87 . -23.052 -0.758 24.177 1.00 48.84 87 A 1 ATOM 692 C CB . CYS A 0 87 . -23.007 -2.694 25.811 1.00 48.84 87 A 1 ATOM 693 O O . CYS A 0 87 . -22.654 0.330 24.572 1.00 48.84 87 A 1 ATOM 694 S SG . CYS A 0 87 . -23.982 -3.601 27.046 1.00 48.84 87 A 1 ATOM 695 N N . LEU A 0 88 . -22.815 -1.176 22.929 1.00 49.65 88 A 1 ATOM 696 C CA . LEU A 0 88 . -22.050 -0.397 21.952 1.00 49.65 88 A 1 ATOM 697 C C . LEU A 0 88 . -22.902 0.697 21.302 1.00 49.65 88 A 1 ATOM 698 C CB . LEU A 0 88 . -21.430 -1.321 20.886 1.00 49.65 88 A 1 ATOM 699 O O . LEU A 0 88 . -22.412 1.803 21.122 1.00 49.65 88 A 1 ATOM 700 C CG . LEU A 0 88 . -19.981 -0.914 20.560 1.00 49.65 88 A 1 ATOM 701 C CD1 . LEU A 0 88 . -19.009 -1.599 21.526 1.00 49.65 88 A 1 ATOM 702 C CD2 . LEU A 0 88 . -19.605 -1.309 19.136 1.00 49.65 88 A 1 ATOM 703 N N . VAL A 0 89 . -24.183 0.422 21.021 1.00 51.28 89 A 1 ATOM 704 C CA . VAL A 0 89 . -25.145 1.460 20.606 1.00 51.28 89 A 1 ATOM 705 C C . VAL A 0 89 . -25.444 2.388 21.781 1.00 51.28 89 A 1 ATOM 706 C CB . VAL A 0 89 . -26.442 0.867 20.032 1.00 51.28 89 A 1 ATOM 707 O O . VAL A 0 89 . -25.535 3.581 21.564 1.00 51.28 89 A 1 ATOM 708 C CG1 . VAL A 0 89 . -27.449 1.909 19.540 1.00 51.28 89 A 1 ATOM 709 C CG2 . VAL A 0 89 . -26.152 -0.064 18.844 1.00 51.28 89 A 1 ATOM 710 N N . ASN A 0 90 . -25.460 1.924 23.038 1.00 47.77 90 A 1 ATOM 711 C CA . ASN A 0 90 . -25.472 2.867 24.163 1.00 47.77 90 A 1 ATOM 712 C C . ASN A 0 90 . -24.164 3.673 24.245 1.00 47.77 90 A 1 ATOM 713 C CB . ASN A 0 90 . -25.812 2.180 25.495 1.00 47.77 90 A 1 ATOM 714 O O . ASN A 0 90 . -24.221 4.868 24.460 1.00 47.77 90 A 1 ATOM 715 C CG . ASN A 0 90 . -27.308 1.987 25.709 1.00 47.77 90 A 1 ATOM 716 N ND2 . ASN A 0 90 . -27.713 1.655 26.913 1.00 47.77 90 A 1 ATOM 717 O OD1 . ASN A 0 90 . -28.136 2.160 24.831 1.00 47.77 90 A 1 ATOM 718 N N . CYS A 0 91 . -22.979 3.110 24.005 1.00 50.97 91 A 1 ATOM 719 C CA . CYS A 0 91 . -21.747 3.913 24.028 1.00 50.97 91 A 1 ATOM 720 C C . CYS A 0 91 . -21.649 4.920 22.864 1.00 50.97 91 A 1 ATOM 721 C CB . CYS A 0 91 . -20.519 2.992 24.082 1.00 50.97 91 A 1 ATOM 722 O O . CYS A 0 91 . -21.223 6.051 23.076 1.00 50.97 91 A 1 ATOM 723 S SG . CYS A 0 91 . -19.756 3.079 25.728 1.00 50.97 91 A 1 ATOM 724 N N . LEU A 0 92 . -22.047 4.542 21.645 1.00 46.80 92 A 1 ATOM 725 C CA . LEU A 0 92 . -21.955 5.395 20.451 1.00 46.80 92 A 1 ATOM 726 C C . LEU A 0 92 . -23.182 6.306 20.268 1.00 46.80 92 A 1 ATOM 727 C CB . LEU A 0 92 . -21.685 4.510 19.217 1.00 46.80 92 A 1 ATOM 728 O O . LEU A 0 92 . -23.021 7.457 19.871 1.00 46.80 92 A 1 ATOM 729 C CG . LEU A 0 92 . -20.203 4.089 19.107 1.00 46.80 92 A 1 ATOM 730 C CD1 . LEU A 0 92 . -20.057 2.693 18.503 1.00 46.80 92 A 1 ATOM 731 C CD2 . LEU A 0 92 . -19.423 5.068 18.225 1.00 46.80 92 A 1 ATOM 732 N N . CYS A 0 93 . -24.394 5.853 20.603 1.00 45.84 93 A 1 ATOM 733 C CA . CYS A 0 93 . -25.607 6.678 20.559 1.00 45.84 93 A 1 ATOM 734 C C . CYS A 0 93 . -25.875 7.459 21.855 1.00 45.84 93 A 1 ATOM 735 C CB . CYS A 0 93 . -26.854 5.892 20.116 1.00 45.84 93 A 1 ATOM 736 O O . CYS A 0 93 . -26.448 8.541 21.740 1.00 45.84 93 A 1 ATOM 737 S SG . CYS A 0 93 . -26.651 5.223 18.441 1.00 45.84 93 A 1 ATOM 738 N N . CYS A 0 94 . -25.435 7.037 23.055 1.00 45.37 94 A 1 ATOM 739 C CA . CYS A 0 94 . -25.528 7.933 24.225 1.00 45.37 94 A 1 ATOM 740 C C . CYS A 0 94 . -24.512 9.080 24.153 1.00 45.37 94 A 1 ATOM 741 C CB . CYS A 0 94 . -25.431 7.226 25.588 1.00 45.37 94 A 1 ATOM 742 O O . CYS A 0 94 . -24.779 10.132 24.720 1.00 45.37 94 A 1 ATOM 743 S SG . CYS A 0 94 . -26.754 5.997 25.816 1.00 45.37 94 A 1 ATOM 744 N N . CYS A 0 95 . -23.394 8.942 23.426 1.00 44.39 95 A 1 ATOM 745 C CA . CYS A 0 95 . -22.465 10.064 23.239 1.00 44.39 95 A 1 ATOM 746 C C . CYS A 0 95 . -22.940 11.104 22.213 1.00 44.39 95 A 1 ATOM 747 C CB . CYS A 0 95 . -21.060 9.546 22.900 1.00 44.39 95 A 1 ATOM 748 O O . CYS A 0 95 . -22.506 12.249 22.294 1.00 44.39 95 A 1 ATOM 749 S SG . CYS A 0 95 . -20.096 9.383 24.430 1.00 44.39 95 A 1 ATOM 750 N N . PHE A 0 96 . -23.822 10.748 21.271 1.00 40.95 96 A 1 ATOM 751 C CA . PHE A 0 96 . -24.323 11.695 20.263 1.00 40.95 96 A 1 ATOM 752 C C . PHE A 0 96 . -25.816 12.024 20.358 1.00 40.95 96 A 1 ATOM 753 C CB . PHE A 0 96 . -23.851 11.310 18.852 1.00 40.95 96 A 1 ATOM 754 O O . PHE A 0 96 . -26.299 12.849 19.578 1.00 40.95 96 A 1 ATOM 755 C CG . PHE A 0 96 . -22.780 12.254 18.334 1.00 40.95 96 A 1 ATOM 756 C CD1 . PHE A 0 96 . -23.143 13.431 17.650 1.00 40.95 96 A 1 ATOM 757 C CD2 . PHE A 0 96 . -21.422 11.981 18.578 1.00 40.95 96 A 1 ATOM 758 C CE1 . PHE A 0 96 . -22.150 14.318 17.194 1.00 40.95 96 A 1 ATOM 759 C CE2 . PHE A 0 96 . -20.430 12.868 18.124 1.00 40.95 96 A 1 ATOM 760 C CZ . PHE A 0 96 . -20.793 14.035 17.429 1.00 40.95 96 A 1 ATOM 761 N N . LYS A 0 97 . -26.546 11.505 21.358 1.00 41.29 97 A 1 ATOM 762 C CA . LYS A 0 97 . -27.801 12.140 21.780 1.00 41.29 97 A 1 ATOM 763 C C . LYS A 0 97 . -27.498 13.361 22.651 1.00 41.29 97 A 1 ATOM 764 C CB . LYS A 0 97 . -28.813 11.156 22.370 1.00 41.29 97 A 1 ATOM 765 O O . LYS A 0 97 . -27.499 13.333 23.873 1.00 41.29 97 A 1 ATOM 766 C CG . LYS A 0 97 . -30.168 11.879 22.530 1.00 41.29 97 A 1 ATOM 767 C CD . LYS A 0 97 . -31.358 11.006 22.123 1.00 41.29 97 A 1 ATOM 768 C CE . LYS A 0 97 . -32.638 11.838 22.255 1.00 41.29 97 A 1 ATOM 769 N NZ . LYS A 0 97 . -33.845 11.063 21.876 1.00 41.29 97 A 1 ATOM 770 N N . ARG A 0 98 . -27.206 14.420 21.908 1.00 36.54 98 A 1 ATOM 771 C CA . ARG A 0 98 . -27.220 15.841 22.227 1.00 36.54 98 A 1 ATOM 772 C C . ARG A 0 98 . -28.594 16.282 22.767 1.00 36.54 98 A 1 ATOM 773 C CB . ARG A 0 98 . -26.841 16.489 20.879 1.00 36.54 98 A 1 ATOM 774 O O . ARG A 0 98 . -29.605 15.979 22.134 1.00 36.54 98 A 1 ATOM 775 C CG . ARG A 0 98 . -27.036 17.994 20.683 1.00 36.54 98 A 1 ATOM 776 C CD . ARG A 0 98 . -26.395 18.363 19.331 1.00 36.54 98 A 1 ATOM 777 N NE . ARG A 0 98 . -27.068 19.503 18.681 1.00 36.54 98 A 1 ATOM 778 N NH1 . ARG A 0 98 . -25.213 20.674 17.982 1.00 36.54 98 A 1 ATOM 779 N NH2 . ARG A 0 98 . -27.248 21.375 17.405 1.00 36.54 98 A 1 ATOM 780 C CZ . ARG A 0 98 . -26.505 20.505 18.030 1.00 36.54 98 A 1 ATOM 781 N N . ASN A 0 99 . -28.537 17.077 23.841 1.00 39.82 99 A 1 ATOM 782 C CA . ASN A 0 99 . -29.591 17.842 24.529 1.00 39.82 99 A 1 ATOM 783 C C . ASN A 0 99 . -30.551 17.067 25.442 1.00 39.82 99 A 1 ATOM 784 C CB . ASN A 0 99 . -30.276 18.817 23.556 1.00 39.82 99 A 1 ATOM 785 O O . ASN A 0 99 . -31.576 16.556 24.940 1.00 39.82 99 A 1 ATOM 786 C CG . ASN A 0 99 . -31.020 19.903 24.301 1.00 39.82 99 A 1 ATOM 787 N ND2 . ASN A 0 99 . -32.250 19.653 24.663 1.00 39.82 99 A 1 ATOM 788 O OD1 . ASN A 0 99 . -30.490 20.969 24.564 1.00 39.82 99 A 1 ATOM 789 O OXT . ASN A 0 99 . -30.257 17.104 26.651 1.00 39.82 99 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 76.78 # loop_ _atom_type.symbol C N O S #