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 ASN 0 3 THR 0 4 ILE 0 5 LYS 0 6 VAL 0 7 LEU 0 8 PHE 0 9 ILE 0 10 CYS 0 11 MET 0 12 CYS 0 13 LEU 0 14 TYR 0 15 THR 0 16 ILE 0 17 VAL 0 18 LYS 0 19 VAL 0 20 ILE 0 21 GLU 0 22 ALA 0 23 ASP 0 24 THR 0 25 GLU 0 26 ASP 0 27 LYS 0 28 ALA 0 29 ASN 0 30 THR 0 31 THR 0 32 GLN 0 33 GLY 0 34 GLU 0 35 ALA 0 36 SER 0 37 GLU 0 38 LYS 0 39 ILE 0 40 PRO 0 41 LYS 0 42 PRO 0 43 THR 0 44 ARG 0 45 LYS 0 46 HIS 0 47 SER 0 48 LYS 0 49 PRO 0 50 GLY 0 51 ARG 0 52 SER 0 53 LEU 0 54 GLY 0 55 ARG 0 56 ASP 0 57 LYS 0 58 LYS 0 59 LYS 0 60 LEU 0 61 SER 0 62 THR 0 63 LYS 0 64 PRO 0 65 THR 0 66 ASP 0 67 GLY 0 68 ALA 0 69 VAL 0 70 LYS 0 71 VAL 0 72 GLU 0 73 LYS 0 74 PRO 0 75 LYS 0 76 PRO 0 77 GLU 0 78 GLN 0 79 SER 0 80 GLY 0 81 ILE 0 82 ILE 0 83 LEU 0 84 ASP 0 85 LEU 0 86 ILE 0 87 ALA 0 88 GLY 0 89 MET 0 90 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 . -20.322 -2.802 12.491 1.00 65.62 1 A 1 ATOM 2 C CA . MET A 0 1 . -19.831 -1.616 11.742 1.00 65.62 1 A 1 ATOM 3 C C . MET A 0 1 . -18.312 -1.614 11.525 1.00 65.62 1 A 1 ATOM 4 C CB . MET A 0 1 . -20.304 -0.303 12.384 1.00 65.62 1 A 1 ATOM 5 O O . MET A 0 1 . -17.867 -0.980 10.578 1.00 65.62 1 A 1 ATOM 6 C CG . MET A 0 1 . -21.834 -0.191 12.346 1.00 65.62 1 A 1 ATOM 7 S SD . MET A 0 1 . -22.475 1.303 13.135 1.00 65.62 1 A 1 ATOM 8 C CE . MET A 0 1 . -22.788 2.358 11.692 1.00 65.62 1 A 1 ATOM 9 N N . ASN A 0 2 . -17.513 -2.339 12.322 1.00 75.95 2 A 1 ATOM 10 C CA . ASN A 0 2 . -16.050 -2.343 12.167 1.00 75.95 2 A 1 ATOM 11 C C . ASN A 0 2 . -15.548 -3.135 10.951 1.00 75.95 2 A 1 ATOM 12 C CB . ASN A 0 2 . -15.398 -2.819 13.479 1.00 75.95 2 A 1 ATOM 13 O O . ASN A 0 2 . -14.637 -2.672 10.278 1.00 75.95 2 A 1 ATOM 14 C CG . ASN A 0 2 . -15.495 -1.777 14.582 1.00 75.95 2 A 1 ATOM 15 N ND2 . ASN A 0 2 . -14.991 -2.071 15.755 1.00 75.95 2 A 1 ATOM 16 O OD1 . ASN A 0 2 . -16.055 -0.707 14.398 1.00 75.95 2 A 1 ATOM 17 N N . THR A 0 3 . -16.174 -4.261 10.597 1.00 84.85 3 A 1 ATOM 18 C CA . THR A 0 3 . -15.729 -5.096 9.465 1.00 84.85 3 A 1 ATOM 19 C C . THR A 0 3 . -15.703 -4.331 8.142 1.00 84.85 3 A 1 ATOM 20 C CB . THR A 0 3 . -16.636 -6.325 9.311 1.00 84.85 3 A 1 ATOM 21 O O . THR A 0 3 . -14.748 -4.446 7.388 1.00 84.85 3 A 1 ATOM 22 C CG2 . THR A 0 3 . -15.980 -7.441 8.504 1.00 84.85 3 A 1 ATOM 23 O OG1 . THR A 0 3 . -16.961 -6.833 10.587 1.00 84.85 3 A 1 ATOM 24 N N . ILE A 0 4 . -16.706 -3.484 7.885 1.00 88.37 4 A 1 ATOM 25 C CA . ILE A 0 4 . -16.770 -2.662 6.666 1.00 88.37 4 A 1 ATOM 26 C C . ILE A 0 4 . -15.592 -1.680 6.611 1.00 88.37 4 A 1 ATOM 27 C CB . ILE A 0 4 . -18.128 -1.928 6.581 1.00 88.37 4 A 1 ATOM 28 O O . ILE A 0 4 . -14.975 -1.525 5.561 1.00 88.37 4 A 1 ATOM 29 C CG1 . ILE A 0 4 . -19.285 -2.949 6.456 1.00 88.37 4 A 1 ATOM 30 C CG2 . ILE A 0 4 . -18.157 -0.947 5.394 1.00 88.37 4 A 1 ATOM 31 C CD1 . ILE A 0 4 . -20.671 -2.347 6.719 1.00 88.37 4 A 1 ATOM 32 N N . LYS A 0 5 . -15.235 -1.061 7.746 1.00 84.41 5 A 1 ATOM 33 C CA . LYS A 0 5 . -14.068 -0.170 7.828 1.00 84.41 5 A 1 ATOM 34 C C . LYS A 0 5 . -12.769 -0.927 7.553 1.00 84.41 5 A 1 ATOM 35 C CB . LYS A 0 5 . -13.993 0.529 9.194 1.00 84.41 5 A 1 ATOM 36 O O . LYS A 0 5 . -11.937 -0.436 6.802 1.00 84.41 5 A 1 ATOM 37 C CG . LYS A 0 5 . -15.158 1.496 9.453 1.00 84.41 5 A 1 ATOM 38 C CD . LYS A 0 5 . -14.941 2.218 10.791 1.00 84.41 5 A 1 ATOM 39 C CE . LYS A 0 5 . -16.035 3.261 11.050 1.00 84.41 5 A 1 ATOM 40 N NZ . LYS A 0 5 . -15.803 3.975 12.333 1.00 84.41 5 A 1 ATOM 41 N N . VAL A 0 6 . -12.621 -2.132 8.108 1.00 91.47 6 A 1 ATOM 42 C CA . VAL A 0 6 . -11.442 -2.982 7.874 1.00 91.47 6 A 1 ATOM 43 C C . VAL A 0 6 . -11.323 -3.365 6.397 1.00 91.47 6 A 1 ATOM 44 C CB . VAL A 0 6 . -11.477 -4.232 8.776 1.00 91.47 6 A 1 ATOM 45 O O . VAL A 0 6 . -10.241 -3.257 5.826 1.00 91.47 6 A 1 ATOM 46 C CG1 . VAL A 0 6 . -10.312 -5.186 8.492 1.00 91.47 6 A 1 ATOM 47 C CG2 . VAL A 0 6 . -11.393 -3.841 10.258 1.00 91.47 6 A 1 ATOM 48 N N . LEU A 0 7 . -12.431 -3.740 5.750 1.00 91.17 7 A 1 ATOM 49 C CA . LEU A 0 7 . -12.447 -4.056 4.318 1.00 91.17 7 A 1 ATOM 50 C C . LEU A 0 7 . -12.087 -2.841 3.456 1.00 91.17 7 A 1 ATOM 51 C CB . LEU A 0 7 . -13.831 -4.598 3.924 1.00 91.17 7 A 1 ATOM 52 O O . LEU A 0 7 . -11.325 -2.976 2.502 1.00 91.17 7 A 1 ATOM 53 C CG . LEU A 0 7 . -14.162 -5.987 4.494 1.00 91.17 7 A 1 ATOM 54 C CD1 . LEU A 0 7 . -15.617 -6.328 4.169 1.00 91.17 7 A 1 ATOM 55 C CD2 . LEU A 0 7 . -13.262 -7.082 3.924 1.00 91.17 7 A 1 ATOM 56 N N . PHE A 0 8 . -12.590 -1.657 3.812 1.00 91.82 8 A 1 ATOM 57 C CA . PHE A 0 8 . -12.251 -0.418 3.117 1.00 91.82 8 A 1 ATOM 58 C C . PHE A 0 8 . -10.755 -0.102 3.229 1.00 91.82 8 A 1 ATOM 59 C CB . PHE A 0 8 . -13.116 0.722 3.663 1.00 91.82 8 A 1 ATOM 60 O O . PHE A 0 8 . -10.099 0.117 2.215 1.00 91.82 8 A 1 ATOM 61 C CG . PHE A 0 8 . -12.899 2.026 2.927 1.00 91.82 8 A 1 ATOM 62 C CD1 . PHE A 0 8 . -12.064 3.021 3.470 1.00 91.82 8 A 1 ATOM 63 C CD2 . PHE A 0 8 . -13.505 2.227 1.673 1.00 91.82 8 A 1 ATOM 64 C CE1 . PHE A 0 8 . -11.845 4.217 2.764 1.00 91.82 8 A 1 ATOM 65 C CE2 . PHE A 0 8 . -13.283 3.421 0.966 1.00 91.82 8 A 1 ATOM 66 C CZ . PHE A 0 8 . -12.454 4.417 1.513 1.00 91.82 8 A 1 ATOM 67 N N . ILE A 0 9 . -10.192 -0.170 4.440 1.00 93.18 9 A 1 ATOM 68 C CA . ILE A 0 9 . -8.756 0.049 4.667 1.00 93.18 9 A 1 ATOM 69 C C . ILE A 0 9 . -7.922 -0.971 3.877 1.00 93.18 9 A 1 ATOM 70 C CB . ILE A 0 9 . -8.444 0.013 6.182 1.00 93.18 9 A 1 ATOM 71 O O . ILE A 0 9 . -6.952 -0.592 3.225 1.00 93.18 9 A 1 ATOM 72 C CG1 . ILE A 0 9 . -9.100 1.220 6.895 1.00 93.18 9 A 1 ATOM 73 C CG2 . ILE A 0 9 . -6.924 0.025 6.438 1.00 93.18 9 A 1 ATOM 74 C CD1 . ILE A 0 9 . -9.162 1.073 8.422 1.00 93.18 9 A 1 ATOM 75 N N . CYS A 0 10 . -8.323 -2.244 3.869 1.00 92.62 10 A 1 ATOM 76 C CA . CYS A 0 10 . -7.637 -3.295 3.118 1.00 92.62 10 A 1 ATOM 77 C C . CYS A 0 10 . -7.637 -3.017 1.602 1.00 92.62 10 A 1 ATOM 78 C CB . CYS A 0 10 . -8.300 -4.631 3.477 1.00 92.62 10 A 1 ATOM 79 O O . CYS A 0 10 . -6.590 -3.113 0.962 1.00 92.62 10 A 1 ATOM 80 S SG . CYS A 0 10 . -7.360 -6.020 2.787 1.00 92.62 10 A 1 ATOM 81 N N . MET A 0 11 . -8.772 -2.586 1.041 1.00 91.98 11 A 1 ATOM 82 C CA . MET A 0 11 . -8.877 -2.199 -0.373 1.00 91.98 11 A 1 ATOM 83 C C . MET A 0 11 . -8.027 -0.969 -0.717 1.00 91.98 11 A 1 ATOM 84 C CB . MET A 0 11 . -10.349 -1.936 -0.730 1.00 91.98 11 A 1 ATOM 85 O O . MET A 0 11 . -7.381 -0.938 -1.769 1.00 91.98 11 A 1 ATOM 86 C CG . MET A 0 11 . -11.122 -3.243 -0.916 1.00 91.98 11 A 1 ATOM 87 S SD . MET A 0 11 . -10.629 -4.159 -2.403 1.00 91.98 11 A 1 ATOM 88 C CE . MET A 0 11 . -11.415 -5.754 -2.069 1.00 91.98 11 A 1 ATOM 89 N N . CYS A 0 12 . -7.980 0.031 0.166 1.00 93.89 12 A 1 ATOM 90 C CA . CYS A 0 12 . -7.123 1.203 -0.016 1.00 93.89 12 A 1 ATOM 91 C C . CYS A 0 12 . -5.640 0.815 -0.033 1.00 93.89 12 A 1 ATOM 92 C CB . CYS A 0 12 . -7.403 2.226 1.092 1.00 93.89 12 A 1 ATOM 93 O O . CYS A 0 12 . -4.926 1.202 -0.956 1.00 93.89 12 A 1 ATOM 94 S SG . CYS A 0 12 . -9.072 2.913 0.918 1.00 93.89 12 A 1 ATOM 95 N N . LEU A 0 13 . -5.190 0.014 0.939 1.00 93.81 13 A 1 ATOM 96 C CA . LEU A 0 13 . -3.803 -0.457 1.004 1.00 93.81 13 A 1 ATOM 97 C C . LEU A 0 13 . -3.432 -1.283 -0.231 1.00 93.81 13 A 1 ATOM 98 C CB . LEU A 0 13 . -3.589 -1.273 2.290 1.00 93.81 13 A 1 ATOM 99 O O . LEU A 0 13 . -2.383 -1.048 -0.823 1.00 93.81 13 A 1 ATOM 100 C CG . LEU A 0 13 . -3.625 -0.446 3.588 1.00 93.81 13 A 1 ATOM 101 C CD1 . LEU A 0 13 . -3.559 -1.390 4.788 1.00 93.81 13 A 1 ATOM 102 C CD2 . LEU A 0 13 . -2.461 0.542 3.683 1.00 93.81 13 A 1 ATOM 103 N N . TYR A 0 14 . -4.315 -2.183 -0.670 1.00 94.55 14 A 1 ATOM 104 C CA . TYR A 0 14 . -4.116 -2.961 -1.892 1.00 94.55 14 A 1 ATOM 105 C C . TYR A 0 14 . -3.938 -2.068 -3.127 1.00 94.55 14 A 1 ATOM 106 C CB . TYR A 0 14 . -5.313 -3.898 -2.077 1.00 94.55 14 A 1 ATOM 107 O O . TYR A 0 14 . -3.036 -2.288 -3.934 1.00 94.55 14 A 1 ATOM 108 C CG . TYR A 0 14 . -5.215 -4.743 -3.329 1.00 94.55 14 A 1 ATOM 109 C CD1 . TYR A 0 14 . -5.928 -4.386 -4.492 1.00 94.55 14 A 1 ATOM 110 C CD2 . TYR A 0 14 . -4.373 -5.869 -3.334 1.00 94.55 14 A 1 ATOM 111 C CE1 . TYR A 0 14 . -5.813 -5.173 -5.655 1.00 94.55 14 A 1 ATOM 112 C CE2 . TYR A 0 14 . -4.260 -6.661 -4.490 1.00 94.55 14 A 1 ATOM 113 O OH . TYR A 0 14 . -4.894 -7.109 -6.750 1.00 94.55 14 A 1 ATOM 114 C CZ . TYR A 0 14 . -4.987 -6.318 -5.648 1.00 94.55 14 A 1 ATOM 115 N N . THR A 0 15 . -4.764 -1.026 -3.251 1.00 91.72 15 A 1 ATOM 116 C CA . THR A 0 15 . -4.689 -0.074 -4.368 1.00 91.72 15 A 1 ATOM 117 C C . THR A 0 15 . -3.381 0.715 -4.339 1.00 91.72 15 A 1 ATOM 118 C CB . THR A 0 15 . -5.883 0.891 -4.355 1.00 91.72 15 A 1 ATOM 119 O O . THR A 0 15 . -2.743 0.876 -5.374 1.00 91.72 15 A 1 ATOM 120 C CG2 . THR A 0 15 . -5.924 1.773 -5.604 1.00 91.72 15 A 1 ATOM 121 O OG1 . THR A 0 15 . -7.096 0.170 -4.322 1.00 91.72 15 A 1 ATOM 122 N N . ILE A 0 16 . -2.946 1.171 -3.161 1.00 92.19 16 A 1 ATOM 123 C CA . ILE A 0 16 . -1.681 1.900 -3.005 1.00 92.19 16 A 1 ATOM 124 C C . ILE A 0 16 . -0.499 1.011 -3.399 1.00 92.19 16 A 1 ATOM 125 C CB . ILE A 0 16 . -1.548 2.442 -1.564 1.00 92.19 16 A 1 ATOM 126 O O . ILE A 0 16 . 0.346 1.448 -4.174 1.00 92.19 16 A 1 ATOM 127 C CG1 . ILE A 0 16 . -2.606 3.538 -1.301 1.00 92.19 16 A 1 ATOM 128 C CG2 . ILE A 0 16 . -0.139 3.014 -1.316 1.00 92.19 16 A 1 ATOM 129 C CD1 . ILE A 0 16 . -2.823 3.828 0.190 1.00 92.19 16 A 1 ATOM 130 N N . VAL A 0 17 . -0.462 -0.241 -2.930 1.00 91.39 17 A 1 ATOM 131 C CA . VAL A 0 17 . 0.600 -1.196 -3.292 1.00 91.39 17 A 1 ATOM 132 C C . VAL A 0 17 . 0.623 -1.433 -4.801 1.00 91.39 17 A 1 ATOM 133 C CB . VAL A 0 17 . 0.454 -2.518 -2.514 1.00 91.39 17 A 1 ATOM 134 O O . VAL A 0 17 . 1.679 -1.305 -5.407 1.00 91.39 17 A 1 ATOM 135 C CG1 . VAL A 0 17 . 1.449 -3.585 -2.983 1.00 91.39 17 A 1 ATOM 136 C CG2 . VAL A 0 17 . 0.713 -2.291 -1.017 1.00 91.39 17 A 1 ATOM 137 N N . LYS A 0 18 . -0.537 -1.658 -5.429 1.00 89.06 18 A 1 ATOM 138 C CA . LYS A 0 18 . -0.670 -1.806 -6.889 1.00 89.06 18 A 1 ATOM 139 C C . LYS A 0 18 . -0.143 -0.603 -7.673 1.00 89.06 18 A 1 ATOM 140 C CB . LYS A 0 18 . -2.155 -2.014 -7.222 1.00 89.06 18 A 1 ATOM 141 O O . LYS A 0 18 . 0.503 -0.780 -8.700 1.00 89.06 18 A 1 ATOM 142 C CG . LYS A 0 18 . -2.589 -3.481 -7.150 1.00 89.06 18 A 1 ATOM 143 C CD . LYS A 0 18 . -2.332 -4.163 -8.496 1.00 89.06 18 A 1 ATOM 144 C CE . LYS A 0 18 . -2.855 -5.593 -8.456 1.00 89.06 18 A 1 ATOM 145 N NZ . LYS A 0 18 . -2.684 -6.245 -9.773 1.00 89.06 18 A 1 ATOM 146 N N . VAL A 0 19 . -0.442 0.613 -7.215 1.00 87.82 19 A 1 ATOM 147 C CA . VAL A 0 19 . 0.023 1.848 -7.864 1.00 87.82 19 A 1 ATOM 148 C C . VAL A 0 19 . 1.532 2.014 -7.695 1.00 87.82 19 A 1 ATOM 149 C CB . VAL A 0 19 . -0.746 3.070 -7.326 1.00 87.82 19 A 1 ATOM 150 O O . VAL A 0 19 . 2.200 2.402 -8.648 1.00 87.82 19 A 1 ATOM 151 C CG1 . VAL A 0 19 . -0.155 4.406 -7.794 1.00 87.82 19 A 1 ATOM 152 C CG2 . VAL A 0 19 . -2.205 3.039 -7.806 1.00 87.82 19 A 1 ATOM 153 N N . ILE A 0 20 . 2.079 1.687 -6.520 1.00 85.42 20 A 1 ATOM 154 C CA . ILE A 0 20 . 3.528 1.718 -6.284 1.00 85.42 20 A 1 ATOM 155 C C . ILE A 0 20 . 4.228 0.668 -7.148 1.00 85.42 20 A 1 ATOM 156 C CB . ILE A 0 20 . 3.854 1.539 -4.784 1.00 85.42 20 A 1 ATOM 157 O O . ILE A 0 20 . 5.218 0.999 -7.788 1.00 85.42 20 A 1 ATOM 158 C CG1 . ILE A 0 20 . 3.348 2.755 -3.974 1.00 85.42 20 A 1 ATOM 159 C CG2 . ILE A 0 20 . 5.372 1.373 -4.564 1.00 85.42 20 A 1 ATOM 160 C CD1 . ILE A 0 20 . 3.354 2.525 -2.457 1.00 85.42 20 A 1 ATOM 161 N N . GLU A 0 21 . 3.716 -0.563 -7.210 1.00 82.35 21 A 1 ATOM 162 C CA . GLU A 0 21 . 4.263 -1.621 -8.066 1.00 82.35 21 A 1 ATOM 163 C C . GLU A 0 21 . 4.292 -1.172 -9.531 1.00 82.35 21 A 1 ATOM 164 C CB . GLU A 0 21 . 3.459 -2.922 -7.907 1.00 82.35 21 A 1 ATOM 165 O O . GLU A 0 21 . 5.353 -1.218 -10.152 1.00 82.35 21 A 1 ATOM 166 C CG . GLU A 0 21 . 3.802 -3.663 -6.603 1.00 82.35 21 A 1 ATOM 167 C CD . GLU A 0 21 . 2.952 -4.927 -6.366 1.00 82.35 21 A 1 ATOM 168 O OE1 . GLU A 0 21 . 3.238 -5.625 -5.366 1.00 82.35 21 A 1 ATOM 169 O OE2 . GLU A 0 21 . 1.988 -5.182 -7.131 1.00 82.35 21 A 1 ATOM 170 N N . ALA A 0 22 . 3.186 -0.627 -10.046 1.00 81.20 22 A 1 ATOM 171 C CA . ALA A 0 22 . 3.119 -0.108 -11.411 1.00 81.20 22 A 1 ATOM 172 C C . ALA A 0 22 . 4.101 1.056 -11.657 1.00 81.20 22 A 1 ATOM 173 C CB . ALA A 0 22 . 1.669 0.294 -11.702 1.00 81.20 22 A 1 ATOM 174 O O . ALA A 0 22 . 4.807 1.053 -12.662 1.00 81.20 22 A 1 ATOM 175 N N . ASP A 0 23 . 4.215 2.015 -10.728 1.00 76.81 23 A 1 ATOM 176 C CA . ASP A 0 23 . 5.181 3.124 -10.833 1.00 76.81 23 A 1 ATOM 177 C C . ASP A 0 23 . 6.636 2.627 -10.764 1.00 76.81 23 A 1 ATOM 178 C CB . ASP A 0 23 . 4.903 4.159 -9.727 1.00 76.81 23 A 1 ATOM 179 O O . ASP A 0 23 . 7.522 3.156 -11.441 1.00 76.81 23 A 1 ATOM 180 C CG . ASP A 0 23 . 5.801 5.406 -9.823 1.00 76.81 23 A 1 ATOM 181 O OD1 . ASP A 0 23 . 5.617 6.219 -10.752 1.00 76.81 23 A 1 ATOM 182 O OD2 . ASP A 0 23 . 6.676 5.609 -8.939 1.00 76.81 23 A 1 ATOM 183 N N . THR A 0 24 . 6.909 1.582 -9.976 1.00 67.47 24 A 1 ATOM 184 C CA . THR A 0 24 . 8.243 0.972 -9.915 1.00 67.47 24 A 1 ATOM 185 C C . THR A 0 24 . 8.576 0.157 -11.157 1.00 67.47 24 A 1 ATOM 186 C CB . THR A 0 24 . 8.476 0.118 -8.663 1.00 67.47 24 A 1 ATOM 187 O O . THR A 0 24 . 9.726 0.205 -11.594 1.00 67.47 24 A 1 ATOM 188 C CG2 . THR A 0 24 . 8.510 0.961 -7.387 1.00 67.47 24 A 1 ATOM 189 O OG1 . THR A 0 24 . 7.539 -0.914 -8.487 1.00 67.47 24 A 1 ATOM 190 N N . GLU A 0 25 . 7.610 -0.540 -11.759 1.00 61.69 25 A 1 ATOM 191 C CA . GLU A 0 25 . 7.805 -1.234 -13.036 1.00 61.69 25 A 1 ATOM 192 C C . GLU A 0 25 . 8.041 -0.234 -14.176 1.00 61.69 25 A 1 ATOM 193 C CB . GLU A 0 25 . 6.618 -2.158 -13.355 1.00 61.69 25 A 1 ATOM 194 O O . GLU A 0 25 . 8.971 -0.421 -14.966 1.00 61.69 25 A 1 ATOM 195 C CG . GLU A 0 25 . 6.623 -3.442 -12.506 1.00 61.69 25 A 1 ATOM 196 C CD . GLU A 0 25 . 5.564 -4.468 -12.954 1.00 61.69 25 A 1 ATOM 197 O OE1 . GLU A 0 25 . 5.790 -5.673 -12.694 1.00 61.69 25 A 1 ATOM 198 O OE2 . GLU A 0 25 . 4.551 -4.070 -13.575 1.00 61.69 25 A 1 ATOM 199 N N . ASP A 0 26 . 7.300 0.878 -14.216 1.00 56.83 26 A 1 ATOM 200 C CA . ASP A 0 26 . 7.549 1.957 -15.180 1.00 56.83 26 A 1 ATOM 201 C C . ASP A 0 26 . 8.949 2.563 -14.995 1.00 56.83 26 A 1 ATOM 202 C CB . ASP A 0 26 . 6.452 3.040 -15.080 1.00 56.83 26 A 1 ATOM 203 O O . ASP A 0 26 . 9.686 2.777 -15.966 1.00 56.83 26 A 1 ATOM 204 C CG . ASP A 0 26 . 5.287 2.840 -16.063 1.00 56.83 26 A 1 ATOM 205 O OD1 . ASP A 0 26 . 5.495 2.169 -17.103 1.00 56.83 26 A 1 ATOM 206 O OD2 . ASP A 0 26 . 4.215 3.439 -15.822 1.00 56.83 26 A 1 ATOM 207 N N . LYS A 0 27 . 9.395 2.757 -13.749 1.00 55.65 27 A 1 ATOM 208 C CA . LYS A 0 27 . 10.763 3.221 -13.459 1.00 55.65 27 A 1 ATOM 209 C C . LYS A 0 27 . 11.832 2.187 -13.797 1.00 55.65 27 A 1 ATOM 210 C CB . LYS A 0 27 . 10.864 3.657 -11.997 1.00 55.65 27 A 1 ATOM 211 O O . LYS A 0 27 . 12.896 2.572 -14.288 1.00 55.65 27 A 1 ATOM 212 C CG . LYS A 0 27 . 10.223 5.036 -11.829 1.00 55.65 27 A 1 ATOM 213 C CD . LYS A 0 27 . 10.129 5.415 -10.355 1.00 55.65 27 A 1 ATOM 214 C CE . LYS A 0 27 . 9.529 6.818 -10.284 1.00 55.65 27 A 1 ATOM 215 N NZ . LYS A 0 27 . 8.950 7.081 -8.956 1.00 55.65 27 A 1 ATOM 216 N N . ALA A 0 28 . 11.581 0.897 -13.587 1.00 54.53 28 A 1 ATOM 217 C CA . ALA A 0 28 . 12.514 -0.167 -13.952 1.00 54.53 28 A 1 ATOM 218 C C . ALA A 0 28 . 12.699 -0.227 -15.475 1.00 54.53 28 A 1 ATOM 219 C CB . ALA A 0 28 . 12.008 -1.495 -13.380 1.00 54.53 28 A 1 ATOM 220 O O . ALA A 0 28 . 13.835 -0.265 -15.959 1.00 54.53 28 A 1 ATOM 221 N N . ASN A 0 29 . 11.602 -0.114 -16.227 1.00 54.04 29 A 1 ATOM 222 C CA . ASN A 0 29 . 11.644 -0.054 -17.687 1.00 54.04 29 A 1 ATOM 223 C C . ASN A 0 29 . 12.315 1.230 -18.199 1.00 54.04 29 A 1 ATOM 224 C CB . ASN A 0 29 . 10.215 -0.221 -18.224 1.00 54.04 29 A 1 ATOM 225 O O . ASN A 0 29 . 13.037 1.190 -19.196 1.00 54.04 29 A 1 ATOM 226 C CG . ASN A 0 29 . 9.706 -1.643 -18.063 1.00 54.04 29 A 1 ATOM 227 N ND2 . ASN A 0 29 . 8.426 -1.817 -17.834 1.00 54.04 29 A 1 ATOM 228 O OD1 . ASN A 0 29 . 10.443 -2.610 -18.168 1.00 54.04 29 A 1 ATOM 229 N N . THR A 0 30 . 12.161 2.352 -17.492 1.00 53.05 30 A 1 ATOM 230 C CA . THR A 0 30 . 12.852 3.604 -17.844 1.00 53.05 30 A 1 ATOM 231 C C . THR A 0 30 . 14.359 3.510 -17.564 1.00 53.05 30 A 1 ATOM 232 C CB . THR A 0 30 . 12.228 4.813 -17.128 1.00 53.05 30 A 1 ATOM 233 O O . THR A 0 30 . 15.172 3.927 -18.387 1.00 53.05 30 A 1 ATOM 234 C CG2 . THR A 0 30 . 12.691 6.132 -17.748 1.00 53.05 30 A 1 ATOM 235 O OG1 . THR A 0 30 . 10.826 4.826 -17.263 1.00 53.05 30 A 1 ATOM 236 N N . THR A 0 31 . 14.761 2.876 -16.458 1.00 49.10 31 A 1 ATOM 237 C CA . THR A 0 31 . 16.180 2.770 -16.067 1.00 49.10 31 A 1 ATOM 238 C C . THR A 0 31 . 16.951 1.793 -16.963 1.00 49.10 31 A 1 ATOM 239 C CB . THR A 0 31 . 16.318 2.359 -14.590 1.00 49.10 31 A 1 ATOM 240 O O . THR A 0 31 . 18.125 2.011 -17.268 1.00 49.10 31 A 1 ATOM 241 C CG2 . THR A 0 31 . 17.739 2.564 -14.060 1.00 49.10 31 A 1 ATOM 242 O OG1 . THR A 0 31 . 15.487 3.134 -13.754 1.00 49.10 31 A 1 ATOM 243 N N . GLN A 0 32 . 16.306 0.724 -17.445 1.00 46.25 32 A 1 ATOM 244 C CA . GLN A 0 32 . 16.974 -0.250 -18.315 1.00 46.25 32 A 1 ATOM 245 C C . GLN A 0 32 . 17.192 0.275 -19.749 1.00 46.25 32 A 1 ATOM 246 C CB . GLN A 0 32 . 16.202 -1.578 -18.282 1.00 46.25 32 A 1 ATOM 247 O O . GLN A 0 32 . 18.102 -0.190 -20.440 1.00 46.25 32 A 1 ATOM 248 C CG . GLN A 0 32 . 17.151 -2.766 -18.508 1.00 46.25 32 A 1 ATOM 249 C CD . GLN A 0 32 . 16.450 -4.118 -18.460 1.00 46.25 32 A 1 ATOM 250 N NE2 . GLN A 0 32 . 17.177 -5.192 -18.238 1.00 46.25 32 A 1 ATOM 251 O OE1 . GLN A 0 32 . 15.260 -4.263 -18.648 1.00 46.25 32 A 1 ATOM 252 N N . GLY A 0 33 . 16.409 1.271 -20.179 1.00 47.41 33 A 1 ATOM 253 C CA . GLY A 0 33 . 16.585 1.946 -21.468 1.00 47.41 33 A 1 ATOM 254 C C . GLY A 0 33 . 17.806 2.870 -21.518 1.00 47.41 33 A 1 ATOM 255 O O . GLY A 0 33 . 18.433 2.994 -22.570 1.00 47.41 33 A 1 ATOM 256 N N . GLU A 0 34 . 18.192 3.469 -20.390 1.00 45.90 34 A 1 ATOM 257 C CA . GLU A 0 34 . 19.271 4.468 -20.351 1.00 45.90 34 A 1 ATOM 258 C C . GLU A 0 34 . 20.675 3.839 -20.298 1.00 45.90 34 A 1 ATOM 259 C CB . GLU A 0 34 . 19.020 5.438 -19.182 1.00 45.90 34 A 1 ATOM 260 O O . GLU A 0 34 . 21.632 4.374 -20.855 1.00 45.90 34 A 1 ATOM 261 C CG . GLU A 0 34 . 19.174 6.893 -19.647 1.00 45.90 34 A 1 ATOM 262 C CD . GLU A 0 34 . 19.035 7.908 -18.503 1.00 45.90 34 A 1 ATOM 263 O OE1 . GLU A 0 34 . 19.688 8.970 -18.605 1.00 45.90 34 A 1 ATOM 264 O OE2 . GLU A 0 34 . 18.279 7.627 -17.545 1.00 45.90 34 A 1 ATOM 265 N N . ALA A 0 35 . 20.815 2.641 -19.720 1.00 47.56 35 A 1 ATOM 266 C CA . ALA A 0 35 . 22.109 1.955 -19.630 1.00 47.56 35 A 1 ATOM 267 C C . ALA A 0 35 . 22.534 1.226 -20.925 1.00 47.56 35 A 1 ATOM 268 C CB . ALA A 0 35 . 22.083 1.023 -18.416 1.00 47.56 35 A 1 ATOM 269 O O . ALA A 0 35 . 23.639 0.682 -20.992 1.00 47.56 35 A 1 ATOM 270 N N . SER A 0 36 . 21.684 1.197 -21.961 1.00 46.61 36 A 1 ATOM 271 C CA . SER A 0 36 . 22.004 0.568 -23.252 1.00 46.61 36 A 1 ATOM 272 C C . SER A 0 36 . 22.355 1.570 -24.353 1.00 46.61 36 A 1 ATOM 273 C CB . SER A 0 36 . 20.924 -0.424 -23.696 1.00 46.61 36 A 1 ATOM 274 O O . SER A 0 36 . 22.338 1.217 -25.535 1.00 46.61 36 A 1 ATOM 275 O OG . SER A 0 36 . 21.529 -1.530 -24.357 1.00 46.61 36 A 1 ATOM 276 N N . GLU A 0 37 . 22.746 2.803 -24.019 1.00 46.34 37 A 1 ATOM 277 C CA . GLU A 0 37 . 23.448 3.641 -24.993 1.00 46.34 37 A 1 ATOM 278 C C . GLU A 0 37 . 24.908 3.175 -25.094 1.00 46.34 37 A 1 ATOM 279 C CB . GLU A 0 37 . 23.224 5.146 -24.784 1.00 46.34 37 A 1 ATOM 280 O O . GLU A 0 37 . 25.838 3.664 -24.455 1.00 46.34 37 A 1 ATOM 281 C CG . GLU A 0 37 . 23.421 5.849 -26.144 1.00 46.34 37 A 1 ATOM 282 C CD . GLU A 0 37 . 23.058 7.341 -26.176 1.00 46.34 37 A 1 ATOM 283 O OE1 . GLU A 0 37 . 23.297 7.948 -27.250 1.00 46.34 37 A 1 ATOM 284 O OE2 . GLU A 0 37 . 22.538 7.864 -25.171 1.00 46.34 37 A 1 ATOM 285 N N . LYS A 0 38 . 25.074 2.111 -25.887 1.00 42.41 38 A 1 ATOM 286 C CA . LYS A 0 38 . 26.345 1.515 -26.290 1.00 42.41 38 A 1 ATOM 287 C C . LYS A 0 38 . 27.331 2.614 -26.670 1.00 42.41 38 A 1 ATOM 288 C CB . LYS A 0 38 . 26.106 0.585 -27.492 1.00 42.41 38 A 1 ATOM 289 O O . LYS A 0 38 . 27.187 3.249 -27.712 1.00 42.41 38 A 1 ATOM 290 C CG . LYS A 0 38 . 25.284 -0.654 -27.116 1.00 42.41 38 A 1 ATOM 291 C CD . LYS A 0 38 . 24.955 -1.491 -28.357 1.00 42.41 38 A 1 ATOM 292 C CE . LYS A 0 38 . 24.104 -2.688 -27.922 1.00 42.41 38 A 1 ATOM 293 N NZ . LYS A 0 38 . 23.650 -3.501 -29.076 1.00 42.41 38 A 1 ATOM 294 N N . ILE A 0 39 . 28.364 2.752 -25.841 1.00 44.90 39 A 1 ATOM 295 C CA . ILE A 0 39 . 29.599 3.493 -26.096 1.00 44.90 39 A 1 ATOM 296 C C . ILE A 0 39 . 29.964 3.337 -27.583 1.00 44.90 39 A 1 ATOM 297 C CB . ILE A 0 39 . 30.721 2.920 -25.194 1.00 44.90 39 A 1 ATOM 298 O O . ILE A 0 39 . 30.302 2.223 -28.009 1.00 44.90 39 A 1 ATOM 299 C CG1 . ILE A 0 39 . 30.366 3.046 -23.691 1.00 44.90 39 A 1 ATOM 300 C CG2 . ILE A 0 39 . 32.068 3.615 -25.479 1.00 44.90 39 A 1 ATOM 301 C CD1 . ILE A 0 39 . 31.190 2.112 -22.797 1.00 44.90 39 A 1 ATOM 302 N N . PRO A 0 40 . 29.889 4.401 -28.405 1.00 49.69 40 A 1 ATOM 303 C CA . PRO A 0 40 . 30.313 4.309 -29.787 1.00 49.69 40 A 1 ATOM 304 C C . PRO A 0 40 . 31.824 4.082 -29.788 1.00 49.69 40 A 1 ATOM 305 C CB . PRO A 0 40 . 29.865 5.614 -30.456 1.00 49.69 40 A 1 ATOM 306 O O . PRO A 0 40 . 32.607 4.983 -29.486 1.00 49.69 40 A 1 ATOM 307 C CG . PRO A 0 40 . 29.757 6.606 -29.297 1.00 49.69 40 A 1 ATOM 308 C CD . PRO A 0 40 . 29.387 5.732 -28.099 1.00 49.69 40 A 1 ATOM 309 N N . LYS A 0 41 . 32.245 2.853 -30.114 1.00 49.11 41 A 1 ATOM 310 C CA . LYS A 0 41 . 33.645 2.548 -30.421 1.00 49.11 41 A 1 ATOM 311 C C . LYS A 0 41 . 34.118 3.562 -31.473 1.00 49.11 41 A 1 ATOM 312 C CB . LYS A 0 41 . 33.801 1.112 -30.956 1.00 49.11 41 A 1 ATOM 313 O O . LYS A 0 41 . 33.525 3.601 -32.553 1.00 49.11 41 A 1 ATOM 314 C CG . LYS A 0 41 . 34.032 0.094 -29.832 1.00 49.11 41 A 1 ATOM 315 C CD . LYS A 0 41 . 34.113 -1.337 -30.387 1.00 49.11 41 A 1 ATOM 316 C CE . LYS A 0 41 . 34.432 -2.322 -29.253 1.00 49.11 41 A 1 ATOM 317 N NZ . LYS A 0 41 . 34.379 -3.737 -29.704 1.00 49.11 41 A 1 ATOM 318 N N . PRO A 0 42 . 35.162 4.365 -31.206 1.00 50.76 42 A 1 ATOM 319 C CA . PRO A 0 42 . 35.700 5.287 -32.191 1.00 50.76 42 A 1 ATOM 320 C C . PRO A 0 42 . 36.275 4.478 -33.354 1.00 50.76 42 A 1 ATOM 321 C CB . PRO A 0 42 . 36.729 6.146 -31.445 1.00 50.76 42 A 1 ATOM 322 O O . PRO A 0 42 . 37.355 3.893 -33.275 1.00 50.76 42 A 1 ATOM 323 C CG . PRO A 0 42 . 37.138 5.284 -30.251 1.00 50.76 42 A 1 ATOM 324 C CD . PRO A 0 42 . 35.885 4.469 -29.949 1.00 50.76 42 A 1 ATOM 325 N N . THR A 0 43 . 35.525 4.413 -34.450 1.00 49.54 43 A 1 ATOM 326 C CA . THR A 0 43 . 35.990 3.859 -35.715 1.00 49.54 43 A 1 ATOM 327 C C . THR A 0 43 . 37.180 4.679 -36.201 1.00 49.54 43 A 1 ATOM 328 C CB . THR A 0 43 . 34.872 3.834 -36.769 1.00 49.54 43 A 1 ATOM 329 O O . THR A 0 43 . 37.065 5.867 -36.502 1.00 49.54 43 A 1 ATOM 330 C CG2 . THR A 0 43 . 33.975 2.610 -36.592 1.00 49.54 43 A 1 ATOM 331 O OG1 . THR A 0 43 . 34.064 4.982 -36.654 1.00 49.54 43 A 1 ATOM 332 N N . ARG A 0 44 . 38.333 4.005 -36.241 1.00 42.69 44 A 1 ATOM 333 C CA . ARG A 0 44 . 39.601 4.369 -36.883 1.00 42.69 44 A 1 ATOM 334 C C . ARG A 0 44 . 39.340 5.253 -38.113 1.00 42.69 44 A 1 ATOM 335 C CB . ARG A 0 44 . 40.266 3.018 -37.239 1.00 42.69 44 A 1 ATOM 336 O O . ARG A 0 44 . 38.814 4.776 -39.116 1.00 42.69 44 A 1 ATOM 337 C CG . ARG A 0 44 . 41.798 3.007 -37.285 1.00 42.69 44 A 1 ATOM 338 C CD . ARG A 0 44 . 42.260 1.572 -37.596 1.00 42.69 44 A 1 ATOM 339 N NE . ARG A 0 44 . 43.722 1.407 -37.490 1.00 42.69 44 A 1 ATOM 340 N NH1 . ARG A 0 44 . 43.835 -0.747 -38.295 1.00 42.69 44 A 1 ATOM 341 N NH2 . ARG A 0 44 . 45.698 0.276 -37.629 1.00 42.69 44 A 1 ATOM 342 C CZ . ARG A 0 44 . 44.408 0.319 -37.804 1.00 42.69 44 A 1 ATOM 343 N N . LYS A 0 45 . 39.658 6.551 -38.022 1.00 41.54 45 A 1 ATOM 344 C CA . LYS A 0 45 . 39.455 7.515 -39.112 1.00 41.54 45 A 1 ATOM 345 C C . LYS A 0 45 . 40.330 7.124 -40.301 1.00 41.54 45 A 1 ATOM 346 C CB . LYS A 0 45 . 39.760 8.956 -38.653 1.00 41.54 45 A 1 ATOM 347 O O . LYS A 0 45 . 41.517 7.425 -40.325 1.00 41.54 45 A 1 ATOM 348 C CG . LYS A 0 45 . 38.740 9.498 -37.639 1.00 41.54 45 A 1 ATOM 349 C CD . LYS A 0 45 . 38.956 11.001 -37.391 1.00 41.54 45 A 1 ATOM 350 C CE . LYS A 0 45 . 37.919 11.541 -36.395 1.00 41.54 45 A 1 ATOM 351 N NZ . LYS A 0 45 . 38.044 13.011 -36.205 1.00 41.54 45 A 1 ATOM 352 N N . HIS A 0 46 . 39.738 6.467 -41.289 1.00 48.10 46 A 1 ATOM 353 C CA . HIS A 0 46 . 40.284 6.432 -42.636 1.00 48.10 46 A 1 ATOM 354 C C . HIS A 0 46 . 39.848 7.738 -43.305 1.00 48.10 46 A 1 ATOM 355 C CB . HIS A 0 46 . 39.818 5.156 -43.362 1.00 48.10 46 A 1 ATOM 356 O O . HIS A 0 46 . 38.733 7.854 -43.808 1.00 48.10 46 A 1 ATOM 357 C CG . HIS A 0 46 . 40.866 4.568 -44.273 1.00 48.10 46 A 1 ATOM 358 C CD2 . HIS A 0 46 . 41.378 3.301 -44.184 1.00 48.10 46 A 1 ATOM 359 N ND1 . HIS A 0 46 . 41.526 5.200 -45.309 1.00 48.10 46 A 1 ATOM 360 C CE1 . HIS A 0 46 . 42.414 4.329 -45.822 1.00 48.10 46 A 1 ATOM 361 N NE2 . HIS A 0 46 . 42.348 3.156 -45.178 1.00 48.10 46 A 1 ATOM 362 N N . SER A 0 47 . 40.693 8.766 -43.244 1.00 40.88 47 A 1 ATOM 363 C CA . SER A 0 47 . 40.515 9.957 -44.068 1.00 40.88 47 A 1 ATOM 364 C C . SER A 0 47 . 40.698 9.546 -45.531 1.00 40.88 47 A 1 ATOM 365 C CB . SER A 0 47 . 41.508 11.057 -43.657 1.00 40.88 47 A 1 ATOM 366 O O . SER A 0 47 . 41.783 9.150 -45.947 1.00 40.88 47 A 1 ATOM 367 O OG . SER A 0 47 . 42.793 10.521 -43.404 1.00 40.88 47 A 1 ATOM 368 N N . LYS A 0 48 . 39.626 9.591 -46.324 1.00 44.68 48 A 1 ATOM 369 C CA . LYS A 0 48 . 39.729 9.611 -47.788 1.00 44.68 48 A 1 ATOM 370 C C . LYS A 0 48 . 39.379 11.022 -48.272 1.00 44.68 48 A 1 ATOM 371 C CB . LYS A 0 48 . 38.869 8.522 -48.449 1.00 44.68 48 A 1 ATOM 372 O O . LYS A 0 48 . 38.303 11.508 -47.923 1.00 44.68 48 A 1 ATOM 373 C CG . LYS A 0 48 . 39.611 7.174 -48.478 1.00 44.68 48 A 1 ATOM 374 C CD . LYS A 0 48 . 38.818 6.123 -49.267 1.00 44.68 48 A 1 ATOM 375 C CE . LYS A 0 48 . 39.603 4.806 -49.347 1.00 44.68 48 A 1 ATOM 376 N NZ . LYS A 0 48 . 38.862 3.771 -50.113 1.00 44.68 48 A 1 ATOM 377 N N . PRO A 0 49 . 40.263 11.697 -49.030 1.00 48.77 49 A 1 ATOM 378 C CA . PRO A 0 49 . 39.964 12.987 -49.632 1.00 48.77 49 A 1 ATOM 379 C C . PRO A 0 49 . 39.121 12.806 -50.901 1.00 48.77 49 A 1 ATOM 380 C CB . PRO A 0 49 . 41.319 13.640 -49.945 1.00 48.77 49 A 1 ATOM 381 O O . PRO A 0 49 . 39.468 12.008 -51.764 1.00 48.77 49 A 1 ATOM 382 C CG . PRO A 0 49 . 42.379 12.559 -49.714 1.00 48.77 49 A 1 ATOM 383 C CD . PRO A 0 49 . 41.609 11.283 -49.398 1.00 48.77 49 A 1 ATOM 384 N N . GLY A 0 50 . 38.066 13.613 -51.038 1.00 43.36 50 A 1 ATOM 385 C CA . GLY A 0 50 . 37.442 13.922 -52.329 1.00 43.36 50 A 1 ATOM 386 C C . GLY A 0 50 . 36.321 12.988 -52.809 1.00 43.36 50 A 1 ATOM 387 O O . GLY A 0 50 . 36.532 11.812 -53.071 1.00 43.36 50 A 1 ATOM 388 N N . ARG A 0 51 . 35.146 13.603 -53.028 1.00 42.74 51 A 1 ATOM 389 C CA . ARG A 0 51 . 33.941 13.129 -53.746 1.00 42.74 51 A 1 ATOM 390 C C . ARG A 0 51 . 33.199 11.898 -53.189 1.00 42.74 51 A 1 ATOM 391 C CB . ARG A 0 51 . 34.240 12.971 -55.257 1.00 42.74 51 A 1 ATOM 392 O O . ARG A 0 51 . 33.360 10.788 -53.673 1.00 42.74 51 A 1 ATOM 393 C CG . ARG A 0 51 . 34.034 14.265 -56.056 1.00 42.74 51 A 1 ATOM 394 C CD . ARG A 0 51 . 34.322 14.017 -57.543 1.00 42.74 51 A 1 ATOM 395 N NE . ARG A 0 51 . 34.001 15.196 -58.373 1.00 42.74 51 A 1 ATOM 396 N NH1 . ARG A 0 51 . 34.520 14.268 -60.411 1.00 42.74 51 A 1 ATOM 397 N NH2 . ARG A 0 51 . 33.769 16.363 -60.320 1.00 42.74 51 A 1 ATOM 398 C CZ . ARG A 0 51 . 34.097 15.270 -59.691 1.00 42.74 51 A 1 ATOM 399 N N . SER A 0 52 . 32.178 12.163 -52.371 1.00 44.72 52 A 1 ATOM 400 C CA . SER A 0 52 . 30.827 11.642 -52.645 1.00 44.72 52 A 1 ATOM 401 C C . SER A 0 52 . 29.755 12.528 -52.001 1.00 44.72 52 A 1 ATOM 402 C CB . SER A 0 52 . 30.630 10.177 -52.227 1.00 44.72 52 A 1 ATOM 403 O O . SER A 0 52 . 29.785 12.791 -50.802 1.00 44.72 52 A 1 ATOM 404 O OG . SER A 0 52 . 30.712 10.011 -50.831 1.00 44.72 52 A 1 ATOM 405 N N . LEU A 0 53 . 28.820 12.996 -52.828 1.00 41.16 53 A 1 ATOM 406 C CA . LEU A 0 53 . 27.592 13.698 -52.457 1.00 41.16 53 A 1 ATOM 407 C C . LEU A 0 53 . 26.720 12.795 -51.578 1.00 41.16 53 A 1 ATOM 408 C CB . LEU A 0 53 . 26.837 14.010 -53.766 1.00 41.16 53 A 1 ATOM 409 O O . LEU A 0 53 . 26.366 11.700 -52.001 1.00 41.16 53 A 1 ATOM 410 C CG . LEU A 0 53 . 27.410 15.198 -54.555 1.00 41.16 53 A 1 ATOM 411 C CD1 . LEU A 0 53 . 27.184 15.017 -56.055 1.00 41.16 53 A 1 ATOM 412 C CD2 . LEU A 0 53 . 26.737 16.496 -54.108 1.00 41.16 53 A 1 ATOM 413 N N . GLY A 0 54 . 26.344 13.254 -50.384 1.00 37.85 54 A 1 ATOM 414 C CA . GLY A 0 54 . 25.520 12.430 -49.502 1.00 37.85 54 A 1 ATOM 415 C C . GLY A 0 54 . 25.220 13.039 -48.141 1.00 37.85 54 A 1 ATOM 416 O O . GLY A 0 54 . 25.608 12.481 -47.134 1.00 37.85 54 A 1 ATOM 417 N N . ARG A 0 55 . 24.534 14.188 -48.134 1.00 42.31 55 A 1 ATOM 418 C CA . ARG A 0 55 . 23.388 14.478 -47.252 1.00 42.31 55 A 1 ATOM 419 C C . ARG A 0 55 . 23.465 13.911 -45.817 1.00 42.31 55 A 1 ATOM 420 C CB . ARG A 0 55 . 22.156 13.940 -48.019 1.00 42.31 55 A 1 ATOM 421 O O . ARG A 0 55 . 22.801 12.922 -45.539 1.00 42.31 55 A 1 ATOM 422 C CG . ARG A 0 55 . 20.803 14.520 -47.589 1.00 42.31 55 A 1 ATOM 423 C CD . ARG A 0 55 . 19.659 13.734 -48.260 1.00 42.31 55 A 1 ATOM 424 N NE . ARG A 0 55 . 18.736 14.590 -49.037 1.00 42.31 55 A 1 ATOM 425 N NH1 . ARG A 0 55 . 17.042 13.053 -49.262 1.00 42.31 55 A 1 ATOM 426 N NH2 . ARG A 0 55 . 16.849 15.043 -50.245 1.00 42.31 55 A 1 ATOM 427 C CZ . ARG A 0 55 . 17.553 14.228 -49.509 1.00 42.31 55 A 1 ATOM 428 N N . ASP A 0 56 . 24.112 14.620 -44.891 1.00 39.81 56 A 1 ATOM 429 C CA . ASP A 0 56 . 23.938 14.349 -43.457 1.00 39.81 56 A 1 ATOM 430 C C . ASP A 0 56 . 23.308 15.526 -42.712 1.00 39.81 56 A 1 ATOM 431 C CB . ASP A 0 56 . 25.199 13.776 -42.797 1.00 39.81 56 A 1 ATOM 432 O O . ASP A 0 56 . 23.790 16.661 -42.692 1.00 39.81 56 A 1 ATOM 433 C CG . ASP A 0 56 . 25.090 12.251 -42.647 1.00 39.81 56 A 1 ATOM 434 O OD1 . ASP A 0 56 . 24.014 11.800 -42.185 1.00 39.81 56 A 1 ATOM 435 O OD2 . ASP A 0 56 . 26.091 11.571 -42.951 1.00 39.81 56 A 1 ATOM 436 N N . LYS A 0 57 . 22.127 15.220 -42.172 1.00 44.53 57 A 1 ATOM 437 C CA . LYS A 0 57 . 21.200 16.116 -41.494 1.00 44.53 57 A 1 ATOM 438 C C . LYS A 0 57 . 21.687 16.426 -40.078 1.00 44.53 57 A 1 ATOM 439 C CB . LYS A 0 57 . 19.805 15.465 -41.440 1.00 44.53 57 A 1 ATOM 440 O O . LYS A 0 57 . 22.104 15.551 -39.329 1.00 44.53 57 A 1 ATOM 441 C CG . LYS A 0 57 . 18.960 15.642 -42.713 1.00 44.53 57 A 1 ATOM 442 C CD . LYS A 0 57 . 17.640 14.866 -42.558 1.00 44.53 57 A 1 ATOM 443 C CE . LYS A 0 57 . 16.627 15.188 -43.666 1.00 44.53 57 A 1 ATOM 444 N NZ . LYS A 0 57 . 15.354 14.444 -43.462 1.00 44.53 57 A 1 ATOM 445 N N . LYS A 0 58 . 21.509 17.698 -39.720 1.00 43.04 58 A 1 ATOM 446 C CA . LYS A 0 58 . 21.582 18.309 -38.387 1.00 43.04 58 A 1 ATOM 447 C C . LYS A 0 58 . 21.069 17.375 -37.276 1.00 43.04 58 A 1 ATOM 448 C CB . LYS A 0 58 . 20.692 19.574 -38.426 1.00 43.04 58 A 1 ATOM 449 O O . LYS A 0 58 . 19.871 17.106 -37.221 1.00 43.04 58 A 1 ATOM 450 C CG . LYS A 0 58 . 21.170 20.672 -39.396 1.00 43.04 58 A 1 ATOM 451 C CD . LYS A 0 58 . 20.138 21.808 -39.496 1.00 43.04 58 A 1 ATOM 452 C CE . LYS A 0 58 . 20.669 22.955 -40.371 1.00 43.04 58 A 1 ATOM 453 N NZ . LYS A 0 58 . 19.702 24.082 -40.463 1.00 43.04 58 A 1 ATOM 454 N N . LYS A 0 59 . 21.939 16.967 -36.346 1.00 44.03 59 A 1 ATOM 455 C CA . LYS A 0 59 . 21.518 16.504 -35.016 1.00 44.03 59 A 1 ATOM 456 C C . LYS A 0 59 . 21.521 17.700 -34.067 1.00 44.03 59 A 1 ATOM 457 C CB . LYS A 0 59 . 22.368 15.325 -34.511 1.00 44.03 59 A 1 ATOM 458 O O . LYS A 0 59 . 22.573 18.193 -33.670 1.00 44.03 59 A 1 ATOM 459 C CG . LYS A 0 59 . 22.026 14.016 -35.249 1.00 44.03 59 A 1 ATOM 460 C CD . LYS A 0 59 . 22.562 12.790 -34.493 1.00 44.03 59 A 1 ATOM 461 C CE . LYS A 0 59 . 22.163 11.488 -35.205 1.00 44.03 59 A 1 ATOM 462 N NZ . LYS A 0 59 . 22.264 10.313 -34.299 1.00 44.03 59 A 1 ATOM 463 N N . LEU A 0 60 . 20.320 18.197 -33.786 1.00 45.24 60 A 1 ATOM 464 C CA . LEU A 0 60 . 20.025 19.164 -32.736 1.00 45.24 60 A 1 ATOM 465 C C . LEU A 0 60 . 20.277 18.456 -31.395 1.00 45.24 60 A 1 ATOM 466 C CB . LEU A 0 60 . 18.551 19.592 -32.927 1.00 45.24 60 A 1 ATOM 467 O O . LEU A 0 60 . 19.522 17.565 -31.019 1.00 45.24 60 A 1 ATOM 468 C CG . LEU A 0 60 . 18.126 20.854 -32.158 1.00 45.24 60 A 1 ATOM 469 C CD1 . LEU A 0 60 . 18.587 22.115 -32.897 1.00 45.24 60 A 1 ATOM 470 C CD2 . LEU A 0 60 . 16.602 20.907 -32.046 1.00 45.24 60 A 1 ATOM 471 N N . SER A 0 61 . 21.388 18.777 -30.733 1.00 41.19 61 A 1 ATOM 472 C CA . SER A 0 61 . 21.687 18.272 -29.393 1.00 41.19 61 A 1 ATOM 473 C C . SER A 0 61 . 20.884 19.088 -28.385 1.00 41.19 61 A 1 ATOM 474 C CB . SER A 0 61 . 23.193 18.322 -29.116 1.00 41.19 61 A 1 ATOM 475 O O . SER A 0 61 . 21.276 20.189 -27.994 1.00 41.19 61 A 1 ATOM 476 O OG . SER A 0 61 . 23.464 17.720 -27.869 1.00 41.19 61 A 1 ATOM 477 N N . THR A 0 62 . 19.707 18.581 -28.034 1.00 46.32 62 A 1 ATOM 478 C CA . THR A 0 62 . 18.926 19.062 -26.897 1.00 46.32 62 A 1 ATOM 479 C C . THR A 0 62 . 19.632 18.565 -25.643 1.00 46.32 62 A 1 ATOM 480 C CB . THR A 0 62 . 17.481 18.526 -26.954 1.00 46.32 62 A 1 ATOM 481 O O . THR A 0 62 . 19.640 17.366 -25.398 1.00 46.32 62 A 1 ATOM 482 C CG2 . THR A 0 62 . 16.533 19.380 -26.114 1.00 46.32 62 A 1 ATOM 483 O OG1 . THR A 0 62 . 16.985 18.544 -28.275 1.00 46.32 62 A 1 ATOM 484 N N . LYS A 0 63 . 20.266 19.458 -24.874 1.00 37.44 63 A 1 ATOM 485 C CA . LYS A 0 63 . 20.738 19.140 -23.519 1.00 37.44 63 A 1 ATOM 486 C C . LYS A 0 63 . 19.516 18.788 -22.658 1.00 37.44 63 A 1 ATOM 487 C CB . LYS A 0 63 . 21.453 20.355 -22.896 1.00 37.44 63 A 1 ATOM 488 O O . LYS A 0 63 . 18.710 19.694 -22.436 1.00 37.44 63 A 1 ATOM 489 C CG . LYS A 0 63 . 22.903 20.553 -23.356 1.00 37.44 63 A 1 ATOM 490 C CD . LYS A 0 63 . 23.495 21.780 -22.644 1.00 37.44 63 A 1 ATOM 491 C CE . LYS A 0 63 . 24.996 21.911 -22.919 1.00 37.44 63 A 1 ATOM 492 N NZ . LYS A 0 63 . 25.575 23.060 -22.179 1.00 37.44 63 A 1 ATOM 493 N N . PRO A 0 64 . 19.343 17.548 -22.171 1.00 46.43 64 A 1 ATOM 494 C CA . PRO A 0 64 . 18.463 17.322 -21.041 1.00 46.43 64 A 1 ATOM 495 C C . PRO A 0 64 . 19.136 17.934 -19.809 1.00 46.43 64 A 1 ATOM 496 C CB . PRO A 0 64 . 18.265 15.810 -20.958 1.00 46.43 64 A 1 ATOM 497 O O . PRO A 0 64 . 20.313 17.712 -19.534 1.00 46.43 64 A 1 ATOM 498 C CG . PRO A 0 64 . 19.570 15.253 -21.523 1.00 46.43 64 A 1 ATOM 499 C CD . PRO A 0 64 . 20.041 16.315 -22.517 1.00 46.43 64 A 1 ATOM 500 N N . THR A 0 65 . 18.406 18.807 -19.132 1.00 41.82 65 A 1 ATOM 501 C CA . THR A 0 65 . 18.800 19.409 -17.865 1.00 41.82 65 A 1 ATOM 502 C C . THR A 0 65 . 18.987 18.283 -16.849 1.00 41.82 65 A 1 ATOM 503 C CB . THR A 0 65 . 17.690 20.377 -17.401 1.00 41.82 65 A 1 ATOM 504 O O . THR A 0 65 . 18.024 17.572 -16.571 1.00 41.82 65 A 1 ATOM 505 C CG2 . THR A 0 65 . 18.203 21.466 -16.464 1.00 41.82 65 A 1 ATOM 506 O OG1 . THR A 0 65 . 17.107 21.049 -18.501 1.00 41.82 65 A 1 ATOM 507 N N . ASP A 0 66 . 20.198 18.135 -16.299 1.00 42.93 66 A 1 ATOM 508 C CA . ASP A 0 66 . 20.518 17.288 -15.140 1.00 42.93 66 A 1 ATOM 509 C C . ASP A 0 66 . 19.766 17.801 -13.900 1.00 42.93 66 A 1 ATOM 510 C CB . ASP A 0 66 . 22.040 17.256 -14.889 1.00 42.93 66 A 1 ATOM 511 O O . ASP A 0 66 . 20.321 18.397 -12.974 1.00 42.93 66 A 1 ATOM 512 C CG . ASP A 0 66 . 22.806 16.301 -15.802 1.00 42.93 66 A 1 ATOM 513 O OD1 . ASP A 0 66 . 22.364 15.139 -15.910 1.00 42.93 66 A 1 ATOM 514 O OD2 . ASP A 0 66 . 23.847 16.743 -16.341 1.00 42.93 66 A 1 ATOM 515 N N . GLY A 0 67 . 18.450 17.619 -13.895 1.00 41.27 67 A 1 ATOM 516 C CA . GLY A 0 67 . 17.606 17.756 -12.727 1.00 41.27 67 A 1 ATOM 517 C C . GLY A 0 67 . 17.774 16.505 -11.887 1.00 41.27 67 A 1 ATOM 518 O O . GLY A 0 67 . 16.876 15.671 -11.843 1.00 41.27 67 A 1 ATOM 519 N N . ALA A 0 68 . 18.934 16.362 -11.246 1.00 44.46 68 A 1 ATOM 520 C CA . ALA A 0 68 . 19.136 15.415 -10.163 1.00 44.46 68 A 1 ATOM 521 C C . ALA A 0 68 . 18.159 15.783 -9.038 1.00 44.46 68 A 1 ATOM 522 C CB . ALA A 0 68 . 20.609 15.456 -9.730 1.00 44.46 68 A 1 ATOM 523 O O . ALA A 0 68 . 18.480 16.561 -8.135 1.00 44.46 68 A 1 ATOM 524 N N . VAL A 0 69 . 16.930 15.273 -9.130 1.00 46.62 69 A 1 ATOM 525 C CA . VAL A 0 69 . 15.946 15.339 -8.058 1.00 46.62 69 A 1 ATOM 526 C C . VAL A 0 69 . 16.558 14.542 -6.921 1.00 46.62 69 A 1 ATOM 527 C CB . VAL A 0 69 . 14.566 14.799 -8.490 1.00 46.62 69 A 1 ATOM 528 O O . VAL A 0 69 . 16.562 13.311 -6.926 1.00 46.62 69 A 1 ATOM 529 C CG1 . VAL A 0 69 . 13.564 14.847 -7.329 1.00 46.62 69 A 1 ATOM 530 C CG2 . VAL A 0 69 . 13.985 15.638 -9.636 1.00 46.62 69 A 1 ATOM 531 N N . LYS A 0 70 . 17.167 15.261 -5.973 1.00 48.62 70 A 1 ATOM 532 C CA . LYS A 0 70 . 17.562 14.703 -4.688 1.00 48.62 70 A 1 ATOM 533 C C . LYS A 0 70 . 16.323 14.017 -4.138 1.00 48.62 70 A 1 ATOM 534 C CB . LYS A 0 70 . 18.042 15.806 -3.729 1.00 48.62 70 A 1 ATOM 535 O O . LYS A 0 70 . 15.361 14.685 -3.775 1.00 48.62 70 A 1 ATOM 536 C CG . LYS A 0 70 . 19.495 16.232 -3.980 1.00 48.62 70 A 1 ATOM 537 C CD . LYS A 0 70 . 19.915 17.269 -2.929 1.00 48.62 70 A 1 ATOM 538 C CE . LYS A 0 70 . 21.400 17.620 -3.072 1.00 48.62 70 A 1 ATOM 539 N NZ . LYS A 0 70 . 21.817 18.610 -2.048 1.00 48.62 70 A 1 ATOM 540 N N . VAL A 0 71 . 16.358 12.689 -4.113 1.00 51.30 71 A 1 ATOM 541 C CA . VAL A 0 71 . 15.452 11.870 -3.318 1.00 51.30 71 A 1 ATOM 542 C C . VAL A 0 71 . 15.700 12.296 -1.877 1.00 51.30 71 A 1 ATOM 543 C CB . VAL A 0 71 . 15.712 10.371 -3.564 1.00 51.30 71 A 1 ATOM 544 O O . VAL A 0 71 . 16.663 11.872 -1.234 1.00 51.30 71 A 1 ATOM 545 C CG1 . VAL A 0 71 . 14.817 9.487 -2.688 1.00 51.30 71 A 1 ATOM 546 C CG2 . VAL A 0 71 . 15.446 10.010 -5.033 1.00 51.30 71 A 1 ATOM 547 N N . GLU A 0 72 . 14.914 13.267 -1.426 1.00 47.45 72 A 1 ATOM 548 C CA . GLU A 0 72 . 14.942 13.768 -0.067 1.00 47.45 72 A 1 ATOM 549 C C . GLU A 0 72 . 14.520 12.598 0.818 1.00 47.45 72 A 1 ATOM 550 C CB . GLU A 0 72 . 14.045 15.014 0.045 1.00 47.45 72 A 1 ATOM 551 O O . GLU A 0 72 . 13.376 12.146 0.786 1.00 47.45 72 A 1 ATOM 552 C CG . GLU A 0 72 . 14.301 15.799 1.341 1.00 47.45 72 A 1 ATOM 553 C CD . GLU A 0 72 . 13.515 17.122 1.434 1.00 47.45 72 A 1 ATOM 554 O OE1 . GLU A 0 72 . 13.728 17.831 2.446 1.00 47.45 72 A 1 ATOM 555 O OE2 . GLU A 0 72 . 12.747 17.436 0.499 1.00 47.45 72 A 1 ATOM 556 N N . LYS A 0 73 . 15.489 12.023 1.539 1.00 51.84 73 A 1 ATOM 557 C CA . LYS A 0 73 . 15.203 11.011 2.552 1.00 51.84 73 A 1 ATOM 558 C C . LYS A 0 73 . 14.182 11.629 3.512 1.00 51.84 73 A 1 ATOM 559 C CB . LYS A 0 73 . 16.478 10.597 3.298 1.00 51.84 73 A 1 ATOM 560 O O . LYS A 0 73 . 14.458 12.727 4.005 1.00 51.84 73 A 1 ATOM 561 C CG . LYS A 0 73 . 17.381 9.707 2.435 1.00 51.84 73 A 1 ATOM 562 C CD . LYS A 0 73 . 18.658 9.335 3.198 1.00 51.84 73 A 1 ATOM 563 C CE . LYS A 0 73 . 19.512 8.388 2.348 1.00 51.84 73 A 1 ATOM 564 N NZ . LYS A 0 73 . 20.778 8.029 3.035 1.00 51.84 73 A 1 ATOM 565 N N . PRO A 0 74 . 13.034 10.975 3.767 1.00 56.12 74 A 1 ATOM 566 C CA . PRO A 0 74 . 12.013 11.533 4.636 1.00 56.12 74 A 1 ATOM 567 C C . PRO A 0 74 . 12.647 11.882 5.980 1.00 56.12 74 A 1 ATOM 568 C CB . PRO A 0 74 . 10.896 10.489 4.730 1.00 56.12 74 A 1 ATOM 569 O O . PRO A 0 74 . 13.346 11.075 6.598 1.00 56.12 74 A 1 ATOM 570 C CG . PRO A 0 74 . 11.569 9.189 4.293 1.00 56.12 74 A 1 ATOM 571 C CD . PRO A 0 74 . 12.646 9.651 3.315 1.00 56.12 74 A 1 ATOM 572 N N . LYS A 0 75 . 12.463 13.141 6.372 1.00 52.75 75 A 1 ATOM 573 C CA . LYS A 0 75 . 12.998 13.715 7.602 1.00 52.75 75 A 1 ATOM 574 C C . LYS A 0 75 . 12.495 12.863 8.780 1.00 52.75 75 A 1 ATOM 575 C CB . LYS A 0 75 . 12.540 15.183 7.663 1.00 52.75 75 A 1 ATOM 576 O O . LYS A 0 75 . 11.301 12.560 8.817 1.00 52.75 75 A 1 ATOM 577 C CG . LYS A 0 75 . 13.536 16.132 8.341 1.00 52.75 75 A 1 ATOM 578 C CD . LYS A 0 75 . 13.038 17.573 8.163 1.00 52.75 75 A 1 ATOM 579 C CE . LYS A 0 75 . 14.044 18.590 8.704 1.00 52.75 75 A 1 ATOM 580 N NZ . LYS A 0 75 . 13.524 19.967 8.536 1.00 52.75 75 A 1 ATOM 581 N N . PRO A 0 76 . 13.355 12.484 9.744 1.00 58.52 76 A 1 ATOM 582 C CA . PRO A 0 76 . 13.007 11.534 10.810 1.00 58.52 76 A 1 ATOM 583 C C . PRO A 0 76 . 11.791 11.952 11.655 1.00 58.52 76 A 1 ATOM 584 C CB . PRO A 0 76 . 14.279 11.394 11.658 1.00 58.52 76 A 1 ATOM 585 O O . PRO A 0 76 . 11.131 11.105 12.254 1.00 58.52 76 A 1 ATOM 586 C CG . PRO A 0 76 . 15.100 12.639 11.323 1.00 58.52 76 A 1 ATOM 587 C CD . PRO A 0 76 . 14.740 12.897 9.866 1.00 58.52 76 A 1 ATOM 588 N N . GLU A 0 77 . 11.440 13.240 11.653 1.00 58.08 77 A 1 ATOM 589 C CA . GLU A 0 77 . 10.244 13.760 12.320 1.00 58.08 77 A 1 ATOM 590 C C . GLU A 0 77 . 8.936 13.171 11.757 1.00 58.08 77 A 1 ATOM 591 C CB . GLU A 0 77 . 10.240 15.295 12.227 1.00 58.08 77 A 1 ATOM 592 O O . GLU A 0 77 . 8.015 12.908 12.524 1.00 58.08 77 A 1 ATOM 593 C CG . GLU A 0 77 . 11.439 15.910 12.972 1.00 58.08 77 A 1 ATOM 594 C CD . GLU A 0 77 . 11.426 17.445 13.000 1.00 58.08 77 A 1 ATOM 595 O OE1 . GLU A 0 77 . 12.240 18.004 13.766 1.00 58.08 77 A 1 ATOM 596 O OE2 . GLU A 0 77 . 10.708 18.053 12.173 1.00 58.08 77 A 1 ATOM 597 N N . GLN A 0 78 . 8.852 12.869 10.453 1.00 57.79 78 A 1 ATOM 598 C CA . GLN A 0 78 . 7.645 12.262 9.870 1.00 57.79 78 A 1 ATOM 599 C C . GLN A 0 78 . 7.490 10.780 10.225 1.00 57.79 78 A 1 ATOM 600 C CB . GLN A 0 78 . 7.630 12.439 8.345 1.00 57.79 78 A 1 ATOM 601 O O . GLN A 0 78 . 6.370 10.314 10.429 1.00 57.79 78 A 1 ATOM 602 C CG . GLN A 0 78 . 7.074 13.810 7.937 1.00 57.79 78 A 1 ATOM 603 C CD . GLN A 0 78 . 7.010 13.984 6.423 1.00 57.79 78 A 1 ATOM 604 N NE2 . GLN A 0 78 . 6.277 14.961 5.936 1.00 57.79 78 A 1 ATOM 605 O OE1 . GLN A 0 78 . 7.623 13.271 5.648 1.00 57.79 78 A 1 ATOM 606 N N . SER A 0 79 . 8.594 10.035 10.347 1.00 58.82 79 A 1 ATOM 607 C CA . SER A 0 79 . 8.536 8.627 10.764 1.00 58.82 79 A 1 ATOM 608 C C . SER A 0 79 . 8.030 8.457 12.199 1.00 58.82 79 A 1 ATOM 609 C CB . SER A 0 79 . 9.886 7.923 10.582 1.00 58.82 79 A 1 ATOM 610 O O . SER A 0 79 . 7.362 7.466 12.484 1.00 58.82 79 A 1 ATOM 611 O OG . SER A 0 79 . 11.000 8.749 10.873 1.00 58.82 79 A 1 ATOM 612 N N . GLY A 0 80 . 8.284 9.434 13.079 1.00 65.74 80 A 1 ATOM 613 C CA . GLY A 0 80 . 7.750 9.429 14.444 1.00 65.74 80 A 1 ATOM 614 C C . GLY A 0 80 . 6.221 9.495 14.475 1.00 65.74 80 A 1 ATOM 615 O O . GLY A 0 80 . 5.595 8.735 15.204 1.00 65.74 80 A 1 ATOM 616 N N . ILE A 0 81 . 5.621 10.326 13.616 1.00 76.25 81 A 1 ATOM 617 C CA . ILE A 0 81 . 4.159 10.479 13.522 1.00 76.25 81 A 1 ATOM 618 C C . ILE A 0 81 . 3.499 9.172 13.067 1.00 76.25 81 A 1 ATOM 619 C CB . ILE A 0 81 . 3.795 11.643 12.568 1.00 76.25 81 A 1 ATOM 620 O O . ILE A 0 81 . 2.453 8.797 13.584 1.00 76.25 81 A 1 ATOM 621 C CG1 . ILE A 0 81 . 4.423 12.975 13.045 1.00 76.25 81 A 1 ATOM 622 C CG2 . ILE A 0 81 . 2.265 11.796 12.448 1.00 76.25 81 A 1 ATOM 623 C CD1 . ILE A 0 81 . 4.336 14.108 12.014 1.00 76.25 81 A 1 ATOM 624 N N . ILE A 0 82 . 4.114 8.456 12.119 1.00 72.86 82 A 1 ATOM 625 C CA . ILE A 0 82 . 3.583 7.178 11.621 1.00 72.86 82 A 1 ATOM 626 C C . ILE A 0 82 . 3.607 6.117 12.728 1.00 72.86 82 A 1 ATOM 627 C CB . ILE A 0 82 . 4.355 6.721 10.362 1.00 72.86 82 A 1 ATOM 628 O O . ILE A 0 82 . 2.626 5.396 12.898 1.00 72.86 82 A 1 ATOM 629 C CG1 . ILE A 0 82 . 4.150 7.733 9.209 1.00 72.86 82 A 1 ATOM 630 C CG2 . ILE A 0 82 . 3.906 5.314 9.917 1.00 72.86 82 A 1 ATOM 631 C CD1 . ILE A 0 82 . 5.139 7.561 8.049 1.00 72.86 82 A 1 ATOM 632 N N . LEU A 0 83 . 4.699 6.035 13.496 1.00 74.10 83 A 1 ATOM 633 C CA . LEU A 0 83 . 4.802 5.108 14.628 1.00 74.10 83 A 1 ATOM 634 C C . LEU A 0 83 . 3.791 5.438 15.736 1.00 74.10 83 A 1 ATOM 635 C CB . LEU A 0 83 . 6.242 5.117 15.170 1.00 74.10 83 A 1 ATOM 636 O O . LEU A 0 83 . 3.162 4.522 16.263 1.00 74.10 83 A 1 ATOM 637 C CG . LEU A 0 83 . 7.239 4.338 14.295 1.00 74.10 83 A 1 ATOM 638 C CD1 . LEU A 0 83 . 8.671 4.662 14.724 1.00 74.10 83 A 1 ATOM 639 C CD2 . LEU A 0 83 . 7.042 2.823 14.417 1.00 74.10 83 A 1 ATOM 640 N N . ASP A 0 84 . 3.594 6.721 16.041 1.00 79.16 84 A 1 ATOM 641 C CA . ASP A 0 84 . 2.621 7.179 17.041 1.00 79.16 84 A 1 ATOM 642 C C . ASP A 0 84 . 1.173 6.864 16.618 1.00 79.16 84 A 1 ATOM 643 C CB . ASP A 0 84 . 2.845 8.681 17.274 1.00 79.16 84 A 1 ATOM 644 O O . ASP A 0 84 . 0.378 6.358 17.412 1.00 79.16 84 A 1 ATOM 645 C CG . ASP A 0 84 . 2.153 9.192 18.540 1.00 79.16 84 A 1 ATOM 646 O OD1 . ASP A 0 84 . 2.347 8.551 19.596 1.00 79.16 84 A 1 ATOM 647 O OD2 . ASP A 0 84 . 1.496 10.253 18.447 1.00 79.16 84 A 1 ATOM 648 N N . LEU A 0 85 . 0.847 7.037 15.329 1.00 76.86 85 A 1 ATOM 649 C CA . LEU A 0 85 . -0.466 6.670 14.786 1.00 76.86 85 A 1 ATOM 650 C C . LEU A 0 85 . -0.753 5.165 14.901 1.00 76.86 85 A 1 ATOM 651 C CB . LEU A 0 85 . -0.584 7.109 13.309 1.00 76.86 85 A 1 ATOM 652 O O . LEU A 0 85 . -1.888 4.778 15.175 1.00 76.86 85 A 1 ATOM 653 C CG . LEU A 0 85 . -1.791 8.032 13.049 1.00 76.86 85 A 1 ATOM 654 C CD1 . LEU A 0 85 . -1.331 9.477 12.847 1.00 76.86 85 A 1 ATOM 655 C CD2 . LEU A 0 85 . -2.559 7.592 11.801 1.00 76.86 85 A 1 ATOM 656 N N . ILE A 0 86 . 0.258 4.315 14.680 1.00 80.31 86 A 1 ATOM 657 C CA . ILE A 0 86 . 0.119 2.855 14.792 1.00 80.31 86 A 1 ATOM 658 C C . ILE A 0 86 . -0.073 2.450 16.258 1.00 80.31 86 A 1 ATOM 659 C CB . ILE A 0 86 . 1.329 2.138 14.145 1.00 80.31 86 A 1 ATOM 660 O O . ILE A 0 86 . -0.908 1.594 16.546 1.00 80.31 86 A 1 ATOM 661 C CG1 . ILE A 0 86 . 1.354 2.382 12.618 1.00 80.31 86 A 1 ATOM 662 C CG2 . ILE A 0 86 . 1.289 0.618 14.413 1.00 80.31 86 A 1 ATOM 663 C CD1 . ILE A 0 86 . 2.701 2.043 11.962 1.00 80.31 86 A 1 ATOM 664 N N . ALA A 0 87 . 0.657 3.080 17.183 1.00 79.16 87 A 1 ATOM 665 C CA . ALA A 0 87 . 0.538 2.805 18.611 1.00 79.16 87 A 1 ATOM 666 C C . ALA A 0 87 . -0.838 3.196 19.170 1.00 79.16 87 A 1 ATOM 667 C CB . ALA A 0 87 . 1.674 3.526 19.343 1.00 79.16 87 A 1 ATOM 668 O O . ALA A 0 87 . -1.397 2.447 19.963 1.00 79.16 87 A 1 ATOM 669 N N . GLY A 0 88 . -1.422 4.312 18.721 1.00 73.58 88 A 1 ATOM 670 C CA . GLY A 0 88 . -2.764 4.735 19.145 1.00 73.58 88 A 1 ATOM 671 C C . GLY A 0 88 . -3.916 3.860 18.628 1.00 73.58 88 A 1 ATOM 672 O O . GLY A 0 88 . -5.057 4.043 19.052 1.00 73.58 88 A 1 ATOM 673 N N . MET A 0 89 . -3.646 2.936 17.700 1.00 65.31 89 A 1 ATOM 674 C CA . MET A 0 89 . -4.641 2.005 17.155 1.00 65.31 89 A 1 ATOM 675 C C . MET A 0 89 . -4.613 0.603 17.789 1.00 65.31 89 A 1 ATOM 676 C CB . MET A 0 89 . -4.482 1.914 15.629 1.00 65.31 89 A 1 ATOM 677 O O . MET A 0 89 . -5.515 -0.185 17.490 1.00 65.31 89 A 1 ATOM 678 C CG . MET A 0 89 . -4.983 3.173 14.910 1.00 65.31 89 A 1 ATOM 679 S SD . MET A 0 89 . -5.116 3.027 13.099 1.00 65.31 89 A 1 ATOM 680 C CE . MET A 0 89 . -6.391 1.747 12.955 1.00 65.31 89 A 1 ATOM 681 N N . LEU A 0 90 . -3.609 0.288 18.617 1.00 55.97 90 A 1 ATOM 682 C CA . LEU A 0 90 . -3.514 -0.950 19.408 1.00 55.97 90 A 1 ATOM 683 C C . LEU A 0 90 . -4.175 -0.773 20.780 1.00 55.97 90 A 1 ATOM 684 C CB . LEU A 0 90 . -2.027 -1.356 19.528 1.00 55.97 90 A 1 ATOM 685 O O . LEU A 0 90 . -4.863 -1.728 21.204 1.00 55.97 90 A 1 ATOM 686 C CG . LEU A 0 90 . -1.488 -2.131 18.319 1.00 55.97 90 A 1 ATOM 687 C CD1 . LEU A 0 90 . 0.040 -2.093 18.311 1.00 55.97 90 A 1 ATOM 688 C CD2 . LEU A 0 90 . -1.925 -3.599 18.372 1.00 55.97 90 A 1 ATOM 689 O OXT . LEU A 0 90 . -3.958 0.301 21.377 1.00 55.97 90 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 61.20 # loop_ _atom_type.symbol C N O S #