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 THR 0 3 TYR 0 4 ARG 0 5 TYR 0 6 PRO 0 7 CYS 0 8 ARG 0 9 HIS 0 10 ILE 0 11 LEU 0 12 LEU 0 13 THR 0 14 TYR 0 15 VAL 0 16 LYS 0 17 ARG 0 18 PRO 0 19 THR 0 20 LEU 0 21 THR 0 22 ALA 0 23 HIS 0 24 HIS 0 25 ILE 0 26 LEU 0 27 ARG 0 28 PRO 0 29 CYS 0 30 SER 0 31 ARG 0 32 TRP 0 33 LYS 0 34 LEU 0 35 ASN 0 36 ASN 0 37 THR 0 38 HIS 0 39 ASN 0 40 PHE 0 41 HIS 0 42 TYR 0 43 ASN 0 44 THR 0 45 THR 0 46 THR 0 47 SER 0 48 LEU 0 49 PRO 0 50 ARG 0 51 ARG 0 52 SER 0 53 GLU 0 54 GLU 0 55 TYR 0 56 ILE 0 57 ARG 0 58 ILE 0 59 GLN 0 60 ARG 0 61 SER 0 62 GLN 0 63 LYS 0 64 ILE 0 65 HIS 0 66 LYS 0 67 GLN 0 68 GLN 0 69 ILE 0 70 VAL 0 71 GLU 0 72 LYS 0 73 TYR 0 74 GLY 0 75 GLU 0 76 HIS 0 77 PHE 0 78 ALA 0 79 MET 0 80 VAL 0 81 VAL 0 82 GLU 0 83 LYS 0 84 LYS 0 85 ASP 0 86 ASN 0 87 TYR 0 88 HIS 0 89 LEU 0 90 LYS 0 91 ILE 0 92 ASN 0 93 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 . 6.598 -26.155 -13.559 1.00 39.22 1 A 1 ATOM 2 C CA . MET A 0 1 . 7.414 -25.375 -14.516 1.00 39.22 1 A 1 ATOM 3 C C . MET A 0 1 . 7.572 -23.965 -13.969 1.00 39.22 1 A 1 ATOM 4 C CB . MET A 0 1 . 6.757 -25.336 -15.904 1.00 39.22 1 A 1 ATOM 5 O O . MET A 0 1 . 6.564 -23.327 -13.706 1.00 39.22 1 A 1 ATOM 6 C CG . MET A 0 1 . 6.645 -26.735 -16.520 1.00 39.22 1 A 1 ATOM 7 S SD . MET A 0 1 . 6.430 -26.694 -18.312 1.00 39.22 1 A 1 ATOM 8 C CE . MET A 0 1 . 6.278 -28.466 -18.667 1.00 39.22 1 A 1 ATOM 9 N N . THR A 0 2 . 8.789 -23.488 -13.701 1.00 46.31 2 A 1 ATOM 10 C CA . THR A 0 2 . 8.975 -22.096 -13.262 1.00 46.31 2 A 1 ATOM 11 C C . THR A 0 2 . 8.929 -21.193 -14.491 1.00 46.31 2 A 1 ATOM 12 C CB . THR A 0 2 . 10.267 -21.904 -12.445 1.00 46.31 2 A 1 ATOM 13 O O . THR A 0 2 . 9.887 -21.121 -15.258 1.00 46.31 2 A 1 ATOM 14 C CG2 . THR A 0 2 . 10.141 -22.517 -11.051 1.00 46.31 2 A 1 ATOM 15 O OG1 . THR A 0 2 . 11.374 -22.545 -13.035 1.00 46.31 2 A 1 ATOM 16 N N . TYR A 0 3 . 7.801 -20.516 -14.711 1.00 43.13 3 A 1 ATOM 17 C CA . TYR A 0 3 . 7.719 -19.462 -15.718 1.00 43.13 3 A 1 ATOM 18 C C . TYR A 0 3 . 8.642 -18.322 -15.279 1.00 43.13 3 A 1 ATOM 19 C CB . TYR A 0 3 . 6.265 -19.007 -15.915 1.00 43.13 3 A 1 ATOM 20 O O . TYR A 0 3 . 8.322 -17.539 -14.386 1.00 43.13 3 A 1 ATOM 21 C CG . TYR A 0 3 . 5.388 -20.053 -16.579 1.00 43.13 3 A 1 ATOM 22 C CD1 . TYR A 0 3 . 5.385 -20.182 -17.984 1.00 43.13 3 A 1 ATOM 23 C CD2 . TYR A 0 3 . 4.575 -20.897 -15.797 1.00 43.13 3 A 1 ATOM 24 C CE1 . TYR A 0 3 . 4.575 -21.153 -18.606 1.00 43.13 3 A 1 ATOM 25 C CE2 . TYR A 0 3 . 3.769 -21.870 -16.416 1.00 43.13 3 A 1 ATOM 26 O OH . TYR A 0 3 . 2.981 -22.945 -18.398 1.00 43.13 3 A 1 ATOM 27 C CZ . TYR A 0 3 . 3.764 -22.000 -17.820 1.00 43.13 3 A 1 ATOM 28 N N . ARG A 0 4 . 9.844 -18.255 -15.863 1.00 54.51 4 A 1 ATOM 29 C CA . ARG A 0 4 . 10.712 -17.085 -15.719 1.00 54.51 4 A 1 ATOM 30 C C . ARG A 0 4 . 10.069 -15.965 -16.519 1.00 54.51 4 A 1 ATOM 31 C CB . ARG A 0 4 . 12.147 -17.380 -16.185 1.00 54.51 4 A 1 ATOM 32 O O . ARG A 0 4 . 10.294 -15.865 -17.721 1.00 54.51 4 A 1 ATOM 33 C CG . ARG A 0 4 . 12.918 -18.220 -15.160 1.00 54.51 4 A 1 ATOM 34 C CD . ARG A 0 4 . 14.348 -18.474 -15.651 1.00 54.51 4 A 1 ATOM 35 N NE . ARG A 0 4 . 15.112 -19.276 -14.673 1.00 54.51 4 A 1 ATOM 36 N NH1 . ARG A 0 4 . 16.638 -20.184 -16.139 1.00 54.51 4 A 1 ATOM 37 N NH2 . ARG A 0 4 . 16.718 -20.741 -13.984 1.00 54.51 4 A 1 ATOM 38 C CZ . ARG A 0 4 . 16.146 -20.060 -14.938 1.00 54.51 4 A 1 ATOM 39 N N . TYR A 0 5 . 9.256 -15.152 -15.850 1.00 53.10 5 A 1 ATOM 40 C CA . TYR A 0 5 . 8.769 -13.905 -16.422 1.00 53.10 5 A 1 ATOM 41 C C . TYR A 0 5 . 9.968 -13.131 -16.987 1.00 53.10 5 A 1 ATOM 42 C CB . TYR A 0 5 . 8.031 -13.077 -15.364 1.00 53.10 5 A 1 ATOM 43 O O . TYR A 0 5 . 10.971 -12.977 -16.273 1.00 53.10 5 A 1 ATOM 44 C CG . TYR A 0 5 . 6.638 -13.594 -15.072 1.00 53.10 5 A 1 ATOM 45 C CD1 . TYR A 0 5 . 5.550 -13.115 -15.828 1.00 53.10 5 A 1 ATOM 46 C CD2 . TYR A 0 5 . 6.428 -14.563 -14.072 1.00 53.10 5 A 1 ATOM 47 C CE1 . TYR A 0 5 . 4.250 -13.599 -15.585 1.00 53.10 5 A 1 ATOM 48 C CE2 . TYR A 0 5 . 5.130 -15.049 -13.828 1.00 53.10 5 A 1 ATOM 49 O OH . TYR A 0 5 . 2.794 -15.046 -14.332 1.00 53.10 5 A 1 ATOM 50 C CZ . TYR A 0 5 . 4.039 -14.568 -14.580 1.00 53.10 5 A 1 ATOM 51 N N . PRO A 0 6 . 9.921 -12.681 -18.254 1.00 56.16 6 A 1 ATOM 52 C CA . PRO A 0 6 . 10.973 -11.837 -18.786 1.00 56.16 6 A 1 ATOM 53 C C . PRO A 0 6 . 11.067 -10.617 -17.874 1.00 56.16 6 A 1 ATOM 54 C CB . PRO A 0 6 . 10.573 -11.504 -20.226 1.00 56.16 6 A 1 ATOM 55 O O . PRO A 0 6 . 10.073 -9.943 -17.602 1.00 56.16 6 A 1 ATOM 56 C CG . PRO A 0 6 . 9.058 -11.697 -20.240 1.00 56.16 6 A 1 ATOM 57 C CD . PRO A 0 6 . 8.820 -12.788 -19.199 1.00 56.16 6 A 1 ATOM 58 N N . CYS A 0 7 . 12.255 -10.380 -17.322 1.00 61.36 7 A 1 ATOM 59 C CA . CYS A 0 7 . 12.450 -9.269 -16.407 1.00 61.36 7 A 1 ATOM 60 C C . CYS A 0 7 . 12.059 -7.958 -17.110 1.00 61.36 7 A 1 ATOM 61 C CB . CYS A 0 7 . 13.896 -9.293 -15.886 1.00 61.36 7 A 1 ATOM 62 O O . CYS A 0 7 . 12.187 -7.835 -18.331 1.00 61.36 7 A 1 ATOM 63 S SG . CYS A 0 7 . 15.058 -8.937 -17.232 1.00 61.36 7 A 1 ATOM 64 N N . ARG A 0 8 . 11.628 -6.949 -16.342 1.00 62.88 8 A 1 ATOM 65 C CA . ARG A 0 8 . 11.257 -5.619 -16.865 1.00 62.88 8 A 1 ATOM 66 C C . ARG A 0 8 . 12.307 -5.035 -17.830 1.00 62.88 8 A 1 ATOM 67 C CB . ARG A 0 8 . 10.990 -4.702 -15.658 1.00 62.88 8 A 1 ATOM 68 O O . ARG A 0 8 . 11.953 -4.295 -18.740 1.00 62.88 8 A 1 ATOM 69 C CG . ARG A 0 8 . 10.486 -3.300 -16.033 1.00 62.88 8 A 1 ATOM 70 C CD . ARG A 0 8 . 10.130 -2.521 -14.759 1.00 62.88 8 A 1 ATOM 71 N NE . ARG A 0 8 . 9.769 -1.120 -15.056 1.00 62.88 8 A 1 ATOM 72 N NH1 . ARG A 0 8 . 11.399 -0.048 -13.820 1.00 62.88 8 A 1 ATOM 73 N NH2 . ARG A 0 8 . 9.890 1.151 -14.930 1.00 62.88 8 A 1 ATOM 74 C CZ . ARG A 0 8 . 10.355 -0.021 -14.602 1.00 62.88 8 A 1 ATOM 75 N N . HIS A 0 9 . 13.582 -5.407 -17.684 1.00 62.79 9 A 1 ATOM 76 C CA . HIS A 0 9 . 14.659 -5.011 -18.595 1.00 62.79 9 A 1 ATOM 77 C C . HIS A 0 9 . 14.523 -5.588 -20.009 1.00 62.79 9 A 1 ATOM 78 C CB . HIS A 0 9 . 16.021 -5.411 -18.016 1.00 62.79 9 A 1 ATOM 79 O O . HIS A 0 9 . 14.783 -4.865 -20.967 1.00 62.79 9 A 1 ATOM 80 C CG . HIS A 0 9 . 16.261 -4.844 -16.646 1.00 62.79 9 A 1 ATOM 81 C CD2 . HIS A 0 9 . 16.618 -3.554 -16.364 1.00 62.79 9 A 1 ATOM 82 N ND1 . HIS A 0 9 . 16.105 -5.501 -15.446 1.00 62.79 9 A 1 ATOM 83 C CE1 . HIS A 0 9 . 16.351 -4.618 -14.464 1.00 62.79 9 A 1 ATOM 84 N NE2 . HIS A 0 9 . 16.651 -3.419 -14.977 1.00 62.79 9 A 1 ATOM 85 N N . ILE A 0 10 . 14.109 -6.852 -20.166 1.00 63.94 10 A 1 ATOM 86 C CA . ILE A 0 10 . 13.890 -7.463 -21.489 1.00 63.94 10 A 1 ATOM 87 C C . ILE A 0 10 . 12.798 -6.692 -22.229 1.00 63.94 10 A 1 ATOM 88 C CB . ILE A 0 10 . 13.549 -8.969 -21.369 1.00 63.94 10 A 1 ATOM 89 O O . ILE A 0 10 . 12.995 -6.319 -23.383 1.00 63.94 10 A 1 ATOM 90 C CG1 . ILE A 0 10 . 14.777 -9.762 -20.868 1.00 63.94 10 A 1 ATOM 91 C CG2 . ILE A 0 10 . 13.074 -9.560 -22.713 1.00 63.94 10 A 1 ATOM 92 C CD1 . ILE A 0 10 . 14.456 -11.176 -20.372 1.00 63.94 10 A 1 ATOM 93 N N . LEU A 0 11 . 11.703 -6.373 -21.531 1.00 66.37 11 A 1 ATOM 94 C CA . LEU A 0 11 . 10.613 -5.569 -22.080 1.00 66.37 11 A 1 ATOM 95 C C . LEU A 0 11 . 11.110 -4.181 -22.523 1.00 66.37 11 A 1 ATOM 96 C CB . LEU A 0 11 . 9.490 -5.488 -21.029 1.00 66.37 11 A 1 ATOM 97 O O . LEU A 0 11 . 10.895 -3.785 -23.663 1.00 66.37 11 A 1 ATOM 98 C CG . LEU A 0 11 . 8.209 -4.801 -21.533 1.00 66.37 11 A 1 ATOM 99 C CD1 . LEU A 0 11 . 7.520 -5.618 -22.626 1.00 66.37 11 A 1 ATOM 100 C CD2 . LEU A 0 11 . 7.237 -4.630 -20.365 1.00 66.37 11 A 1 ATOM 101 N N . LEU A 0 12 . 11.842 -3.470 -21.659 1.00 64.32 12 A 1 ATOM 102 C CA . LEU A 0 12 . 12.383 -2.142 -21.980 1.00 64.32 12 A 1 ATOM 103 C C . LEU A 0 12 . 13.403 -2.162 -23.132 1.00 64.32 12 A 1 ATOM 104 C CB . LEU A 0 12 . 13.028 -1.539 -20.718 1.00 64.32 12 A 1 ATOM 105 O O . LEU A 0 12 . 13.433 -1.237 -23.941 1.00 64.32 12 A 1 ATOM 106 C CG . LEU A 0 12 . 12.030 -1.093 -19.633 1.00 64.32 12 A 1 ATOM 107 C CD1 . LEU A 0 12 . 12.800 -0.741 -18.357 1.00 64.32 12 A 1 ATOM 108 C CD2 . LEU A 0 12 . 11.225 0.137 -20.055 1.00 64.32 12 A 1 ATOM 109 N N . THR A 0 13 . 14.242 -3.197 -23.217 1.00 63.92 13 A 1 ATOM 110 C CA . THR A 0 13 . 15.255 -3.316 -24.280 1.00 63.92 13 A 1 ATOM 111 C C . THR A 0 13 . 14.601 -3.609 -25.624 1.00 63.92 13 A 1 ATOM 112 C CB . THR A 0 13 . 16.299 -4.401 -23.973 1.00 63.92 13 A 1 ATOM 113 O O . THR A 0 13 . 14.979 -2.996 -26.620 1.00 63.92 13 A 1 ATOM 114 C CG2 . THR A 0 13 . 17.522 -4.297 -24.887 1.00 63.92 13 A 1 ATOM 115 O OG1 . THR A 0 13 . 16.782 -4.266 -22.657 1.00 63.92 13 A 1 ATOM 116 N N . TYR A 0 14 . 13.590 -4.484 -25.642 1.00 64.16 14 A 1 ATOM 117 C CA . TYR A 0 14 . 12.810 -4.784 -26.841 1.00 64.16 14 A 1 ATOM 118 C C . TYR A 0 14 . 12.100 -3.535 -27.383 1.00 64.16 14 A 1 ATOM 119 C CB . TYR A 0 14 . 11.816 -5.905 -26.516 1.00 64.16 14 A 1 ATOM 120 O O . TYR A 0 14 . 12.203 -3.245 -28.571 1.00 64.16 14 A 1 ATOM 121 C CG . TYR A 0 14 . 11.032 -6.374 -27.721 1.00 64.16 14 A 1 ATOM 122 C CD1 . TYR A 0 14 . 9.708 -5.937 -27.925 1.00 64.16 14 A 1 ATOM 123 C CD2 . TYR A 0 14 . 11.647 -7.227 -28.658 1.00 64.16 14 A 1 ATOM 124 C CE1 . TYR A 0 14 . 8.991 -6.364 -29.060 1.00 64.16 14 A 1 ATOM 125 C CE2 . TYR A 0 14 . 10.932 -7.657 -29.790 1.00 64.16 14 A 1 ATOM 126 O OH . TYR A 0 14 . 8.924 -7.662 -31.085 1.00 64.16 14 A 1 ATOM 127 C CZ . TYR A 0 14 . 9.603 -7.232 -29.992 1.00 64.16 14 A 1 ATOM 128 N N . VAL A 0 15 . 11.479 -2.731 -26.507 1.00 68.15 15 A 1 ATOM 129 C CA . VAL A 0 15 . 10.837 -1.458 -26.893 1.00 68.15 15 A 1 ATOM 130 C C . VAL A 0 15 . 11.837 -0.473 -27.509 1.00 68.15 15 A 1 ATOM 131 C CB . VAL A 0 15 . 10.120 -0.823 -25.682 1.00 68.15 15 A 1 ATOM 132 O O . VAL A 0 15 . 11.520 0.189 -28.491 1.00 68.15 15 A 1 ATOM 133 C CG1 . VAL A 0 15 . 9.603 0.598 -25.951 1.00 68.15 15 A 1 ATOM 134 C CG2 . VAL A 0 15 . 8.908 -1.666 -25.265 1.00 68.15 15 A 1 ATOM 135 N N . LYS A 0 16 . 13.055 -0.367 -26.961 1.00 68.53 16 A 1 ATOM 136 C CA . LYS A 0 16 . 14.066 0.576 -27.470 1.00 68.53 16 A 1 ATOM 137 C C . LYS A 0 16 . 14.778 0.102 -28.739 1.00 68.53 16 A 1 ATOM 138 C CB . LYS A 0 16 . 15.093 0.905 -26.376 1.00 68.53 16 A 1 ATOM 139 O O . LYS A 0 16 . 15.323 0.933 -29.460 1.00 68.53 16 A 1 ATOM 140 C CG . LYS A 0 16 . 14.505 1.812 -25.286 1.00 68.53 16 A 1 ATOM 141 C CD . LYS A 0 16 . 15.610 2.323 -24.352 1.00 68.53 16 A 1 ATOM 142 C CE . LYS A 0 16 . 15.009 3.269 -23.307 1.00 68.53 16 A 1 ATOM 143 N NZ . LYS A 0 16 . 16.057 3.963 -22.513 1.00 68.53 16 A 1 ATOM 144 N N . ARG A 0 17 . 14.866 -1.210 -28.979 1.00 66.87 17 A 1 ATOM 145 C CA . ARG A 0 17 . 15.637 -1.799 -30.086 1.00 66.87 17 A 1 ATOM 146 C C . ARG A 0 17 . 14.938 -3.057 -30.625 1.00 66.87 17 A 1 ATOM 147 C CB . ARG A 0 17 . 17.069 -2.108 -29.623 1.00 66.87 17 A 1 ATOM 148 O O . ARG A 0 17 . 15.357 -4.167 -30.294 1.00 66.87 17 A 1 ATOM 149 C CG . ARG A 0 17 . 17.902 -0.860 -29.304 1.00 66.87 17 A 1 ATOM 150 C CD . ARG A 0 17 . 19.349 -1.259 -29.013 1.00 66.87 17 A 1 ATOM 151 N NE . ARG A 0 17 . 20.187 -0.084 -28.714 1.00 66.87 17 A 1 ATOM 152 N NH1 . ARG A 0 17 . 22.168 -1.207 -28.414 1.00 66.87 17 A 1 ATOM 153 N NH2 . ARG A 0 17 . 22.113 1.011 -28.180 1.00 66.87 17 A 1 ATOM 154 C CZ . ARG A 0 17 . 21.479 -0.099 -28.437 1.00 66.87 17 A 1 ATOM 155 N N . PRO A 0 18 . 13.912 -2.906 -31.479 1.00 64.41 18 A 1 ATOM 156 C CA . PRO A 0 18 . 13.124 -4.037 -31.976 1.00 64.41 18 A 1 ATOM 157 C C . PRO A 0 18 . 13.915 -4.998 -32.879 1.00 64.41 18 A 1 ATOM 158 C CB . PRO A 0 18 . 11.929 -3.405 -32.701 1.00 64.41 18 A 1 ATOM 159 O O . PRO A 0 18 . 13.545 -6.158 -33.011 1.00 64.41 18 A 1 ATOM 160 C CG . PRO A 0 18 . 12.407 -2.003 -33.077 1.00 64.41 18 A 1 ATOM 161 C CD . PRO A 0 18 . 13.361 -1.642 -31.945 1.00 64.41 18 A 1 ATOM 162 N N . THR A 0 19 . 15.036 -4.559 -33.463 1.00 73.42 19 A 1 ATOM 163 C CA . THR A 0 19 . 15.915 -5.405 -34.293 1.00 73.42 19 A 1 ATOM 164 C C . THR A 0 19 . 16.786 -6.372 -33.483 1.00 73.42 19 A 1 ATOM 165 C CB . THR A 0 19 . 16.818 -4.543 -35.187 1.00 73.42 19 A 1 ATOM 166 O O . THR A 0 19 . 17.439 -7.244 -34.059 1.00 73.42 19 A 1 ATOM 167 C CG2 . THR A 0 19 . 16.016 -3.695 -36.174 1.00 73.42 19 A 1 ATOM 168 O OG1 . THR A 0 19 . 17.575 -3.648 -34.399 1.00 73.42 19 A 1 ATOM 169 N N . LEU A 0 20 . 16.819 -6.253 -32.149 1.00 62.29 20 A 1 ATOM 170 C CA . LEU A 0 20 . 17.566 -7.174 -31.298 1.00 62.29 20 A 1 ATOM 171 C C . LEU A 0 20 . 16.769 -8.459 -31.070 1.00 62.29 20 A 1 ATOM 172 C CB . LEU A 0 20 . 17.953 -6.507 -29.968 1.00 62.29 20 A 1 ATOM 173 O O . LEU A 0 20 . 15.776 -8.488 -30.347 1.00 62.29 20 A 1 ATOM 174 C CG . LEU A 0 20 . 19.019 -5.405 -30.086 1.00 62.29 20 A 1 ATOM 175 C CD1 . LEU A 0 20 . 19.283 -4.825 -28.695 1.00 62.29 20 A 1 ATOM 176 C CD2 . LEU A 0 20 . 20.361 -5.921 -30.614 1.00 62.29 20 A 1 ATOM 177 N N . THR A 0 21 . 17.263 -9.559 -31.633 1.00 62.83 21 A 1 ATOM 178 C CA . THR A 0 21 . 16.753 -10.911 -31.370 1.00 62.83 21 A 1 ATOM 179 C C . THR A 0 21 . 16.809 -11.224 -29.872 1.00 62.83 21 A 1 ATOM 180 C CB . THR A 0 21 . 17.568 -11.978 -32.131 1.00 62.83 21 A 1 ATOM 181 O O . THR A 0 21 . 17.781 -10.867 -29.204 1.00 62.83 21 A 1 ATOM 182 C CG2 . THR A 0 21 . 16.669 -13.016 -32.793 1.00 62.83 21 A 1 ATOM 183 O OG1 . THR A 0 21 . 18.395 -11.409 -33.123 1.00 62.83 21 A 1 ATOM 184 N N . ALA A 0 22 . 15.822 -11.958 -29.343 1.00 60.88 22 A 1 ATOM 185 C CA . ALA A 0 22 . 15.731 -12.310 -27.918 1.00 60.88 22 A 1 ATOM 186 C C . ALA A 0 22 . 17.049 -12.863 -27.335 1.00 60.88 22 A 1 ATOM 187 C CB . ALA A 0 22 . 14.593 -13.325 -27.752 1.00 60.88 22 A 1 ATOM 188 O O . ALA A 0 22 . 17.414 -12.538 -26.207 1.00 60.88 22 A 1 ATOM 189 N N . HIS A 0 23 . 17.821 -13.617 -28.125 1.00 62.40 23 A 1 ATOM 190 C CA . HIS A 0 23 . 19.144 -14.122 -27.746 1.00 62.40 23 A 1 ATOM 191 C C . HIS A 0 23 . 20.138 -13.011 -27.334 1.00 62.40 23 A 1 ATOM 192 C CB . HIS A 0 23 . 19.687 -14.945 -28.922 1.00 62.40 23 A 1 ATOM 193 O O . HIS A 0 23 . 20.841 -13.147 -26.329 1.00 62.40 23 A 1 ATOM 194 C CG . HIS A 0 23 . 21.007 -15.593 -28.607 1.00 62.40 23 A 1 ATOM 195 C CD2 . HIS A 0 23 . 21.202 -16.752 -27.905 1.00 62.40 23 A 1 ATOM 196 N ND1 . HIS A 0 23 . 22.249 -15.107 -28.947 1.00 62.40 23 A 1 ATOM 197 C CE1 . HIS A 0 23 . 23.168 -15.958 -28.465 1.00 62.40 23 A 1 ATOM 198 N NE2 . HIS A 0 23 . 22.580 -16.960 -27.796 1.00 62.40 23 A 1 ATOM 199 N N . HIS A 0 24 . 20.157 -11.878 -28.047 1.00 62.79 24 A 1 ATOM 200 C CA . HIS A 0 24 . 20.997 -10.722 -27.717 1.00 62.79 24 A 1 ATOM 201 C C . HIS A 0 24 . 20.584 -10.043 -26.409 1.00 62.79 24 A 1 ATOM 202 C CB . HIS A 0 24 . 20.955 -9.694 -28.857 1.00 62.79 24 A 1 ATOM 203 O O . HIS A 0 24 . 21.434 -9.476 -25.732 1.00 62.79 24 A 1 ATOM 204 C CG . HIS A 0 24 . 21.632 -10.174 -30.111 1.00 62.79 24 A 1 ATOM 205 C CD2 . HIS A 0 24 . 22.979 -10.355 -30.269 1.00 62.79 24 A 1 ATOM 206 N ND1 . HIS A 0 24 . 21.033 -10.507 -31.308 1.00 62.79 24 A 1 ATOM 207 C CE1 . HIS A 0 24 . 22.001 -10.877 -32.163 1.00 62.79 24 A 1 ATOM 208 N NE2 . HIS A 0 24 . 23.200 -10.821 -31.563 1.00 62.79 24 A 1 ATOM 209 N N . ILE A 0 25 . 19.303 -10.112 -26.038 1.00 59.25 25 A 1 ATOM 210 C CA . ILE A 0 25 . 18.761 -9.491 -24.820 1.00 59.25 25 A 1 ATOM 211 C C . ILE A 0 25 . 18.927 -10.423 -23.604 1.00 59.25 25 A 1 ATOM 212 C CB . ILE A 0 25 . 17.286 -9.081 -25.050 1.00 59.25 25 A 1 ATOM 213 O O . ILE A 0 25 . 19.181 -9.971 -22.485 1.00 59.25 25 A 1 ATOM 214 C CG1 . ILE A 0 25 . 17.105 -8.247 -26.346 1.00 59.25 25 A 1 ATOM 215 C CG2 . ILE A 0 25 . 16.788 -8.270 -23.844 1.00 59.25 25 A 1 ATOM 216 C CD1 . ILE A 0 25 . 15.653 -7.862 -26.662 1.00 59.25 25 A 1 ATOM 217 N N . LEU A 0 26 . 18.857 -11.741 -23.817 1.00 57.30 26 A 1 ATOM 218 C CA . LEU A 0 26 . 19.025 -12.747 -22.764 1.00 57.30 26 A 1 ATOM 219 C C . LEU A 0 26 . 20.481 -12.887 -22.286 1.00 57.30 26 A 1 ATOM 220 C CB . LEU A 0 26 . 18.467 -14.093 -23.263 1.00 57.30 26 A 1 ATOM 221 O O . LEU A 0 26 . 20.700 -13.127 -21.097 1.00 57.30 26 A 1 ATOM 222 C CG . LEU A 0 26 . 16.933 -14.141 -23.422 1.00 57.30 26 A 1 ATOM 223 C CD1 . LEU A 0 26 . 16.532 -15.463 -24.075 1.00 57.30 26 A 1 ATOM 224 C CD2 . LEU A 0 26 . 16.204 -14.021 -22.083 1.00 57.30 26 A 1 ATOM 225 N N . ARG A 0 27 . 21.475 -12.687 -23.165 1.00 58.96 27 A 1 ATOM 226 C CA . ARG A 0 27 . 22.915 -12.718 -22.817 1.00 58.96 27 A 1 ATOM 227 C C . ARG A 0 27 . 23.312 -11.696 -21.734 1.00 58.96 27 A 1 ATOM 228 C CB . ARG A 0 27 . 23.772 -12.539 -24.088 1.00 58.96 27 A 1 ATOM 229 O O . ARG A 0 27 . 23.970 -12.086 -20.768 1.00 58.96 27 A 1 ATOM 230 C CG . ARG A 0 27 . 24.535 -13.811 -24.477 1.00 58.96 27 A 1 ATOM 231 C CD . ARG A 0 27 . 25.390 -13.531 -25.720 1.00 58.96 27 A 1 ATOM 232 N NE . ARG A 0 27 . 26.323 -14.638 -26.008 1.00 58.96 27 A 1 ATOM 233 N NH1 . ARG A 0 27 . 27.946 -13.417 -27.100 1.00 58.96 27 A 1 ATOM 234 N NH2 . ARG A 0 27 . 28.237 -15.602 -26.788 1.00 58.96 27 A 1 ATOM 235 C CZ . ARG A 0 27 . 27.492 -14.546 -26.625 1.00 58.96 27 A 1 ATOM 236 N N . PRO A 0 28 . 22.925 -10.409 -21.837 1.00 56.22 28 A 1 ATOM 237 C CA . PRO A 0 28 . 23.097 -9.452 -20.756 1.00 56.22 28 A 1 ATOM 238 C C . PRO A 0 28 . 22.361 -9.897 -19.501 1.00 56.22 28 A 1 ATOM 239 C CB . PRO A 0 28 . 22.547 -8.110 -21.250 1.00 56.22 28 A 1 ATOM 240 O O . PRO A 0 28 . 22.918 -9.781 -18.422 1.00 56.22 28 A 1 ATOM 241 C CG . PRO A 0 28 . 22.468 -8.246 -22.765 1.00 56.22 28 A 1 ATOM 242 C CD . PRO A 0 28 . 22.442 -9.747 -23.030 1.00 56.22 28 A 1 ATOM 243 N N . CYS A 0 29 . 21.148 -10.446 -19.623 1.00 56.39 29 A 1 ATOM 244 C CA . CYS A 0 29 . 20.320 -10.778 -18.468 1.00 56.39 29 A 1 ATOM 245 C C . CYS A 0 29 . 20.908 -11.899 -17.592 1.00 56.39 29 A 1 ATOM 246 C CB . CYS A 0 29 . 18.909 -11.119 -18.958 1.00 56.39 29 A 1 ATOM 247 O O . CYS A 0 29 . 20.762 -11.841 -16.371 1.00 56.39 29 A 1 ATOM 248 S SG . CYS A 0 29 . 17.774 -11.017 -17.548 1.00 56.39 29 A 1 ATOM 249 N N . SER A 0 30 . 21.592 -12.897 -18.163 1.00 57.00 30 A 1 ATOM 250 C CA . SER A 0 30 . 22.284 -13.931 -17.376 1.00 57.00 30 A 1 ATOM 251 C C . SER A 0 30 . 23.516 -13.378 -16.651 1.00 57.00 30 A 1 ATOM 252 C CB . SER A 0 30 . 22.653 -15.133 -18.250 1.00 57.00 30 A 1 ATOM 253 O O . SER A 0 30 . 23.677 -13.632 -15.456 1.00 57.00 30 A 1 ATOM 254 O OG . SER A 0 30 . 23.422 -14.724 -19.360 1.00 57.00 30 A 1 ATOM 255 N N . ARG A 0 31 . 24.331 -12.544 -17.317 1.00 53.81 31 A 1 ATOM 256 C CA . ARG A 0 31 . 25.444 -11.819 -16.668 1.00 53.81 31 A 1 ATOM 257 C C . ARG A 0 31 . 24.948 -10.831 -15.609 1.00 53.81 31 A 1 ATOM 258 C CB . ARG A 0 31 . 26.317 -11.097 -17.710 1.00 53.81 31 A 1 ATOM 259 O O . ARG A 0 31 . 25.549 -10.719 -14.547 1.00 53.81 31 A 1 ATOM 260 C CG . ARG A 0 31 . 27.167 -12.074 -18.538 1.00 53.81 31 A 1 ATOM 261 C CD . ARG A 0 31 . 28.099 -11.349 -19.523 1.00 53.81 31 A 1 ATOM 262 N NE . ARG A 0 31 . 29.244 -10.688 -18.858 1.00 53.81 31 A 1 ATOM 263 N NH1 . ARG A 0 31 . 30.200 -9.750 -20.731 1.00 53.81 31 A 1 ATOM 264 N NH2 . ARG A 0 31 . 31.195 -9.505 -18.755 1.00 53.81 31 A 1 ATOM 265 C CZ . ARG A 0 31 . 30.202 -9.987 -19.447 1.00 53.81 31 A 1 ATOM 266 N N . TRP A 0 32 . 23.818 -10.168 -15.851 1.00 48.40 32 A 1 ATOM 267 C CA . TRP A 0 32 . 23.182 -9.284 -14.875 1.00 48.40 32 A 1 ATOM 268 C C . TRP A 0 32 . 22.645 -10.059 -13.680 1.00 48.40 32 A 1 ATOM 269 C CB . TRP A 0 32 . 22.064 -8.449 -15.515 1.00 48.40 32 A 1 ATOM 270 O O . TRP A 0 32 . 22.691 -9.549 -12.573 1.00 48.40 32 A 1 ATOM 271 C CG . TRP A 0 32 . 22.187 -6.984 -15.272 1.00 48.40 32 A 1 ATOM 272 C CD1 . TRP A 0 32 . 23.191 -6.200 -15.726 1.00 48.40 32 A 1 ATOM 273 C CD2 . TRP A 0 32 . 21.287 -6.103 -14.536 1.00 48.40 32 A 1 ATOM 274 C CE2 . TRP A 0 32 . 21.817 -4.780 -14.589 1.00 48.40 32 A 1 ATOM 275 C CE3 . TRP A 0 32 . 20.074 -6.288 -13.837 1.00 48.40 32 A 1 ATOM 276 N NE1 . TRP A 0 32 . 22.981 -4.898 -15.317 1.00 48.40 32 A 1 ATOM 277 C CH2 . TRP A 0 32 . 19.969 -3.906 -13.301 1.00 48.40 32 A 1 ATOM 278 C CZ2 . TRP A 0 32 . 21.175 -3.691 -13.986 1.00 48.40 32 A 1 ATOM 279 C CZ3 . TRP A 0 32 . 19.423 -5.200 -13.225 1.00 48.40 32 A 1 ATOM 280 N N . LYS A 0 33 . 22.183 -11.302 -13.865 1.00 51.13 33 A 1 ATOM 281 C CA . LYS A 0 33 . 21.767 -12.158 -12.750 1.00 51.13 33 A 1 ATOM 282 C C . LYS A 0 33 . 22.938 -12.460 -11.813 1.00 51.13 33 A 1 ATOM 283 C CB . LYS A 0 33 . 21.108 -13.434 -13.291 1.00 51.13 33 A 1 ATOM 284 O O . LYS A 0 33 . 22.753 -12.397 -10.603 1.00 51.13 33 A 1 ATOM 285 C CG . LYS A 0 33 . 20.119 -14.007 -12.272 1.00 51.13 33 A 1 ATOM 286 C CD . LYS A 0 33 . 19.428 -15.254 -12.831 1.00 51.13 33 A 1 ATOM 287 C CE . LYS A 0 33 . 18.364 -15.698 -11.826 1.00 51.13 33 A 1 ATOM 288 N NZ . LYS A 0 33 . 17.746 -16.984 -12.215 1.00 51.13 33 A 1 ATOM 289 N N . LEU A 0 34 . 24.134 -12.716 -12.349 1.00 52.24 34 A 1 ATOM 290 C CA . LEU A 0 34 . 25.344 -12.912 -11.540 1.00 52.24 34 A 1 ATOM 291 C C . LEU A 0 34 . 25.730 -11.634 -10.784 1.00 52.24 34 A 1 ATOM 292 C CB . LEU A 0 34 . 26.496 -13.418 -12.427 1.00 52.24 34 A 1 ATOM 293 O O . LEU A 0 34 . 25.862 -11.674 -9.563 1.00 52.24 34 A 1 ATOM 294 C CG . LEU A 0 34 . 26.379 -14.909 -12.788 1.00 52.24 34 A 1 ATOM 295 C CD1 . LEU A 0 34 . 27.331 -15.238 -13.937 1.00 52.24 34 A 1 ATOM 296 C CD2 . LEU A 0 34 . 26.724 -15.811 -11.600 1.00 52.24 34 A 1 ATOM 297 N N . ASN A 0 35 . 25.790 -10.491 -11.475 1.00 52.36 35 A 1 ATOM 298 C CA . ASN A 0 35 . 26.116 -9.215 -10.830 1.00 52.36 35 A 1 ATOM 299 C C . ASN A 0 35 . 25.053 -8.790 -9.812 1.00 52.36 35 A 1 ATOM 300 C CB . ASN A 0 35 . 26.320 -8.125 -11.892 1.00 52.36 35 A 1 ATOM 301 O O . ASN A 0 35 . 25.398 -8.294 -8.748 1.00 52.36 35 A 1 ATOM 302 C CG . ASN A 0 35 . 27.623 -8.271 -12.655 1.00 52.36 35 A 1 ATOM 303 N ND2 . ASN A 0 35 . 27.905 -7.361 -13.556 1.00 52.36 35 A 1 ATOM 304 O OD1 . ASN A 0 35 . 28.407 -9.182 -12.471 1.00 52.36 35 A 1 ATOM 305 N N . ASN A 0 36 . 23.769 -9.031 -10.085 1.00 45.67 36 A 1 ATOM 306 C CA . ASN A 0 36 . 22.721 -8.758 -9.114 1.00 45.67 36 A 1 ATOM 307 C C . ASN A 0 36 . 22.764 -9.716 -7.945 1.00 45.67 36 A 1 ATOM 308 C CB . ASN A 0 36 . 21.315 -8.750 -9.732 1.00 45.67 36 A 1 ATOM 309 O O . ASN A 0 36 . 22.431 -9.259 -6.878 1.00 45.67 36 A 1 ATOM 310 C CG . ASN A 0 36 . 20.882 -7.372 -10.186 1.00 45.67 36 A 1 ATOM 311 N ND2 . ASN A 0 36 . 19.676 -7.252 -10.681 1.00 45.67 36 A 1 ATOM 312 O OD1 . ASN A 0 36 . 21.583 -6.382 -10.085 1.00 45.67 36 A 1 ATOM 313 N N . THR A 0 37 . 23.164 -10.982 -8.085 1.00 53.16 37 A 1 ATOM 314 C CA . THR A 0 37 . 23.280 -11.872 -6.913 1.00 53.16 37 A 1 ATOM 315 C C . THR A 0 37 . 24.434 -11.417 -6.018 1.00 53.16 37 A 1 ATOM 316 C CB . THR A 0 37 . 23.454 -13.348 -7.304 1.00 53.16 37 A 1 ATOM 317 O O . THR A 0 37 . 24.286 -11.383 -4.801 1.00 53.16 37 A 1 ATOM 318 C CG2 . THR A 0 37 . 23.160 -14.281 -6.130 1.00 53.16 37 A 1 ATOM 319 O OG1 . THR A 0 37 . 22.542 -13.715 -8.317 1.00 53.16 37 A 1 ATOM 320 N N . HIS A 0 38 . 25.542 -10.974 -6.621 1.00 49.11 38 A 1 ATOM 321 C CA . HIS A 0 38 . 26.668 -10.385 -5.898 1.00 49.11 38 A 1 ATOM 322 C C . HIS A 0 38 . 26.266 -9.075 -5.202 1.00 49.11 38 A 1 ATOM 323 C CB . HIS A 0 38 . 27.826 -10.196 -6.883 1.00 49.11 38 A 1 ATOM 324 O O . HIS A 0 38 . 26.435 -8.939 -3.995 1.00 49.11 38 A 1 ATOM 325 C CG . HIS A 0 38 . 29.168 -10.047 -6.222 1.00 49.11 38 A 1 ATOM 326 C CD2 . HIS A 0 38 . 30.050 -9.015 -6.402 1.00 49.11 38 A 1 ATOM 327 N ND1 . HIS A 0 38 . 29.808 -11.002 -5.461 1.00 49.11 38 A 1 ATOM 328 C CE1 . HIS A 0 38 . 31.060 -10.577 -5.229 1.00 49.11 38 A 1 ATOM 329 N NE2 . HIS A 0 38 . 31.246 -9.366 -5.777 1.00 49.11 38 A 1 ATOM 330 N N . ASN A 0 39 . 25.608 -8.161 -5.921 1.00 48.76 39 A 1 ATOM 331 C CA . ASN A 0 39 . 25.070 -6.931 -5.341 1.00 48.76 39 A 1 ATOM 332 C C . ASN A 0 39 . 23.943 -7.208 -4.340 1.00 48.76 39 A 1 ATOM 333 C CB . ASN A 0 39 . 24.580 -5.999 -6.459 1.00 48.76 39 A 1 ATOM 334 O O . ASN A 0 39 . 23.822 -6.479 -3.374 1.00 48.76 39 A 1 ATOM 335 C CG . ASN A 0 39 . 25.704 -5.434 -7.308 1.00 48.76 39 A 1 ATOM 336 N ND2 . ASN A 0 39 . 25.440 -5.126 -8.556 1.00 48.76 39 A 1 ATOM 337 O OD1 . ASN A 0 39 . 26.821 -5.231 -6.875 1.00 48.76 39 A 1 ATOM 338 N N . PHE A 0 40 . 23.125 -8.250 -4.505 1.00 45.80 40 A 1 ATOM 339 C CA . PHE A 0 40 . 22.092 -8.597 -3.528 1.00 45.80 40 A 1 ATOM 340 C C . PHE A 0 40 . 22.735 -9.069 -2.235 1.00 45.80 40 A 1 ATOM 341 C CB . PHE A 0 40 . 21.110 -9.673 -4.028 1.00 45.80 40 A 1 ATOM 342 O O . PHE A 0 40 . 22.246 -8.701 -1.179 1.00 45.80 40 A 1 ATOM 343 C CG . PHE A 0 40 . 19.666 -9.365 -3.712 1.00 45.80 40 A 1 ATOM 344 C CD1 . PHE A 0 40 . 19.060 -9.915 -2.570 1.00 45.80 40 A 1 ATOM 345 C CD2 . PHE A 0 40 . 18.928 -8.529 -4.571 1.00 45.80 40 A 1 ATOM 346 C CE1 . PHE A 0 40 . 17.711 -9.636 -2.292 1.00 45.80 40 A 1 ATOM 347 C CE2 . PHE A 0 40 . 17.579 -8.247 -4.290 1.00 45.80 40 A 1 ATOM 348 C CZ . PHE A 0 40 . 16.971 -8.804 -3.151 1.00 45.80 40 A 1 ATOM 349 N N . HIS A 0 41 . 23.826 -9.837 -2.311 1.00 50.41 41 A 1 ATOM 350 C CA . HIS A 0 41 . 24.561 -10.297 -1.137 1.00 50.41 41 A 1 ATOM 351 C C . HIS A 0 41 . 25.220 -9.135 -0.379 1.00 50.41 41 A 1 ATOM 352 C CB . HIS A 0 41 . 25.581 -11.361 -1.562 1.00 50.41 41 A 1 ATOM 353 O O . HIS A 0 41 . 25.142 -9.096 0.842 1.00 50.41 41 A 1 ATOM 354 C CG . HIS A 0 41 . 26.171 -12.097 -0.389 1.00 50.41 41 A 1 ATOM 355 C CD2 . HIS A 0 41 . 27.484 -12.105 0.000 1.00 50.41 41 A 1 ATOM 356 N ND1 . HIS A 0 41 . 25.476 -12.872 0.512 1.00 50.41 41 A 1 ATOM 357 C CE1 . HIS A 0 41 . 26.349 -13.340 1.418 1.00 50.41 41 A 1 ATOM 358 N NE2 . HIS A 0 41 . 27.587 -12.912 1.137 1.00 50.41 41 A 1 ATOM 359 N N . TYR A 0 42 . 25.781 -8.142 -1.079 1.00 48.14 42 A 1 ATOM 360 C CA . TYR A 0 42 . 26.339 -6.953 -0.419 1.00 48.14 42 A 1 ATOM 361 C C . TYR A 0 42 . 25.278 -5.934 0.022 1.00 48.14 42 A 1 ATOM 362 C CB . TYR A 0 42 . 27.409 -6.315 -1.310 1.00 48.14 42 A 1 ATOM 363 O O . TYR A 0 42 . 25.418 -5.316 1.075 1.00 48.14 42 A 1 ATOM 364 C CG . TYR A 0 42 . 28.683 -7.132 -1.354 1.00 48.14 42 A 1 ATOM 365 C CD1 . TYR A 0 42 . 29.502 -7.220 -0.210 1.00 48.14 42 A 1 ATOM 366 C CD2 . TYR A 0 42 . 29.045 -7.820 -2.521 1.00 48.14 42 A 1 ATOM 367 C CE1 . TYR A 0 42 . 30.670 -8.009 -0.222 1.00 48.14 42 A 1 ATOM 368 C CE2 . TYR A 0 42 . 30.202 -8.612 -2.525 1.00 48.14 42 A 1 ATOM 369 O OH . TYR A 0 42 . 32.135 -9.493 -1.433 1.00 48.14 42 A 1 ATOM 370 C CZ . TYR A 0 42 . 31.020 -8.718 -1.388 1.00 48.14 42 A 1 ATOM 371 N N . ASN A 0 43 . 24.183 -5.792 -0.726 1.00 46.09 43 A 1 ATOM 372 C CA . ASN A 0 43 . 23.117 -4.836 -0.421 1.00 46.09 43 A 1 ATOM 373 C C . ASN A 0 43 . 22.089 -5.392 0.579 1.00 46.09 43 A 1 ATOM 374 C CB . ASN A 0 43 . 22.429 -4.362 -1.714 1.00 46.09 43 A 1 ATOM 375 O O . ASN A 0 43 . 21.328 -4.613 1.143 1.00 46.09 43 A 1 ATOM 376 C CG . ASN A 0 43 . 23.352 -3.699 -2.728 1.00 46.09 43 A 1 ATOM 377 N ND2 . ASN A 0 43 . 22.876 -3.485 -3.934 1.00 46.09 43 A 1 ATOM 378 O OD1 . ASN A 0 43 . 24.489 -3.344 -2.484 1.00 46.09 43 A 1 ATOM 379 N N . THR A 0 44 . 22.049 -6.706 0.850 1.00 48.37 44 A 1 ATOM 380 C CA . THR A 0 44 . 21.232 -7.239 1.964 1.00 48.37 44 A 1 ATOM 381 C C . THR A 0 44 . 21.791 -6.837 3.326 1.00 48.37 44 A 1 ATOM 382 C CB . THR A 0 44 . 20.990 -8.764 1.944 1.00 48.37 44 A 1 ATOM 383 O O . THR A 0 44 . 21.036 -6.795 4.295 1.00 48.37 44 A 1 ATOM 384 C CG2 . THR A 0 44 . 19.633 -9.107 1.337 1.00 48.37 44 A 1 ATOM 385 O OG1 . THR A 0 44 . 21.945 -9.504 1.232 1.00 48.37 44 A 1 ATOM 386 N N . THR A 0 45 . 23.069 -6.458 3.405 1.00 50.51 45 A 1 ATOM 387 C CA . THR A 0 45 . 23.667 -5.866 4.611 1.00 50.51 45 A 1 ATOM 388 C C . THR A 0 45 . 23.379 -4.376 4.745 1.00 50.51 45 A 1 ATOM 389 C CB . THR A 0 45 . 25.185 -6.083 4.683 1.00 50.51 45 A 1 ATOM 390 O O . THR A 0 45 . 23.630 -3.804 5.809 1.00 50.51 45 A 1 ATOM 391 C CG2 . THR A 0 45 . 25.621 -6.412 6.110 1.00 50.51 45 A 1 ATOM 392 O OG1 . THR A 0 45 . 25.581 -7.164 3.877 1.00 50.51 45 A 1 ATOM 393 N N . THR A 0 46 . 22.791 -3.731 3.728 1.00 50.15 46 A 1 ATOM 394 C CA . THR A 0 46 . 22.060 -2.483 3.951 1.00 50.15 46 A 1 ATOM 395 C C . THR A 0 46 . 20.803 -2.860 4.719 1.00 50.15 46 A 1 ATOM 396 C CB . THR A 0 46 . 21.740 -1.704 2.662 1.00 50.15 46 A 1 ATOM 397 O O . THR A 0 46 . 19.718 -3.008 4.159 1.00 50.15 46 A 1 ATOM 398 C CG2 . THR A 0 46 . 21.576 -0.214 2.974 1.00 50.15 46 A 1 ATOM 399 O OG1 . THR A 0 46 . 22.785 -1.810 1.723 1.00 50.15 46 A 1 ATOM 400 N N . SER A 0 47 . 20.980 -3.105 6.019 1.00 54.52 47 A 1 ATOM 401 C CA . SER A 0 47 . 19.883 -3.192 6.962 1.00 54.52 47 A 1 ATOM 402 C C . SER A 0 47 . 18.955 -2.039 6.621 1.00 54.52 47 A 1 ATOM 403 C CB . SER A 0 47 . 20.374 -3.127 8.419 1.00 54.52 47 A 1 ATOM 404 O O . SER A 0 47 . 19.386 -0.884 6.566 1.00 54.52 47 A 1 ATOM 405 O OG . SER A 0 47 . 21.264 -2.055 8.676 1.00 54.52 47 A 1 ATOM 406 N N . LEU A 0 48 . 17.699 -2.357 6.283 1.00 58.70 48 A 1 ATOM 407 C CA . LEU A 0 48 . 16.671 -1.328 6.233 1.00 58.70 48 A 1 ATOM 408 C C . LEU A 0 48 . 16.871 -0.508 7.507 1.00 58.70 48 A 1 ATOM 409 C CB . LEU A 0 48 . 15.273 -1.962 6.225 1.00 58.70 48 A 1 ATOM 410 O O . LEU A 0 48 . 16.988 -1.141 8.567 1.00 58.70 48 A 1 ATOM 411 C CG . LEU A 0 48 . 14.902 -2.644 4.901 1.00 58.70 48 A 1 ATOM 412 C CD1 . LEU A 0 48 . 13.612 -3.445 5.093 1.00 58.70 48 A 1 ATOM 413 C CD2 . LEU A 0 48 . 14.671 -1.623 3.785 1.00 58.70 48 A 1 ATOM 414 N N . PRO A 0 49 . 17.007 0.830 7.416 1.00 59.52 49 A 1 ATOM 415 C CA . PRO A 0 49 . 17.314 1.636 8.582 1.00 59.52 49 A 1 ATOM 416 C C . PRO A 0 49 . 16.365 1.193 9.681 1.00 59.52 49 A 1 ATOM 417 C CB . PRO A 0 49 . 17.121 3.098 8.165 1.00 59.52 49 A 1 ATOM 418 O O . PRO A 0 49 . 15.150 1.112 9.455 1.00 59.52 49 A 1 ATOM 419 C CG . PRO A 0 49 . 16.287 3.012 6.886 1.00 59.52 49 A 1 ATOM 420 C CD . PRO A 0 49 . 16.712 1.678 6.277 1.00 59.52 49 A 1 ATOM 421 N N . ARG A 0 50 . 16.935 0.770 10.818 1.00 66.11 50 A 1 ATOM 422 C CA . ARG A 0 50 . 16.155 0.303 11.961 1.00 66.11 50 A 1 ATOM 423 C C . ARG A 0 50 . 15.056 1.335 12.167 1.00 66.11 50 A 1 ATOM 424 C CB . ARG A 0 50 . 17.067 0.164 13.189 1.00 66.11 50 A 1 ATOM 425 O O . ARG A 0 50 . 15.359 2.506 12.387 1.00 66.11 50 A 1 ATOM 426 C CG . ARG A 0 50 . 16.290 -0.200 14.464 1.00 66.11 50 A 1 ATOM 427 C CD . ARG A 0 50 . 17.257 -0.382 15.639 1.00 66.11 50 A 1 ATOM 428 N NE . ARG A 0 50 . 16.530 -0.557 16.912 1.00 66.11 50 A 1 ATOM 429 N NH1 . ARG A 0 50 . 17.848 -2.197 17.850 1.00 66.11 50 A 1 ATOM 430 N NH2 . ARG A 0 50 . 16.148 -1.346 19.014 1.00 66.11 50 A 1 ATOM 431 C CZ . ARG A 0 50 . 16.844 -1.366 17.912 1.00 66.11 50 A 1 ATOM 432 N N . ARG A 0 51 . 13.794 0.914 12.014 1.00 71.87 51 A 1 ATOM 433 C CA . ARG A 0 51 . 12.647 1.814 12.171 1.00 71.87 51 A 1 ATOM 434 C C . ARG A 0 51 . 12.814 2.547 13.496 1.00 71.87 51 A 1 ATOM 435 C CB . ARG A 0 51 . 11.326 1.037 12.142 1.00 71.87 51 A 1 ATOM 436 O O . ARG A 0 51 . 13.091 1.897 14.507 1.00 71.87 51 A 1 ATOM 437 C CG . ARG A 0 51 . 10.928 0.618 10.722 1.00 71.87 51 A 1 ATOM 438 C CD . ARG A 0 51 . 9.671 -0.255 10.779 1.00 71.87 51 A 1 ATOM 439 N NE . ARG A 0 51 . 9.158 -0.567 9.433 1.00 71.87 51 A 1 ATOM 440 N NH1 . ARG A 0 51 . 7.617 -2.146 10.066 1.00 71.87 51 A 1 ATOM 441 N NH2 . ARG A 0 51 . 7.859 -1.649 7.906 1.00 71.87 51 A 1 ATOM 442 C CZ . ARG A 0 51 . 8.218 -1.449 9.141 1.00 71.87 51 A 1 ATOM 443 N N . SER A 0 52 . 12.681 3.873 13.473 1.00 79.05 52 A 1 ATOM 444 C CA . SER A 0 52 . 12.788 4.663 14.694 1.00 79.05 52 A 1 ATOM 445 C C . SER A 0 52 . 11.770 4.155 15.714 1.00 79.05 52 A 1 ATOM 446 C CB . SER A 0 52 . 12.626 6.166 14.422 1.00 79.05 52 A 1 ATOM 447 O O . SER A 0 52 . 10.680 3.689 15.365 1.00 79.05 52 A 1 ATOM 448 O OG . SER A 0 52 . 11.329 6.470 13.948 1.00 79.05 52 A 1 ATOM 449 N N . GLU A 0 53 . 12.126 4.222 16.992 1.00 83.81 53 A 1 ATOM 450 C CA . GLU A 0 53 . 11.214 3.837 18.070 1.00 83.81 53 A 1 ATOM 451 C C . GLU A 0 53 . 9.922 4.669 18.038 1.00 83.81 53 A 1 ATOM 452 C CB . GLU A 0 53 . 11.980 3.982 19.382 1.00 83.81 53 A 1 ATOM 453 O O . GLU A 0 53 . 8.835 4.168 18.325 1.00 83.81 53 A 1 ATOM 454 C CG . GLU A 0 53 . 11.169 3.494 20.586 1.00 83.81 53 A 1 ATOM 455 C CD . GLU A 0 53 . 12.067 3.116 21.769 1.00 83.81 53 A 1 ATOM 456 O OE1 . GLU A 0 53 . 11.563 2.351 22.616 1.00 83.81 53 A 1 ATOM 457 O OE2 . GLU A 0 53 . 13.239 3.551 21.783 1.00 83.81 53 A 1 ATOM 458 N N . GLU A 0 54 . 10.026 5.917 17.582 1.00 83.58 54 A 1 ATOM 459 C CA . GLU A 0 54 . 8.898 6.794 17.282 1.00 83.58 54 A 1 ATOM 460 C C . GLU A 0 54 . 7.992 6.239 16.173 1.00 83.58 54 A 1 ATOM 461 C CB . GLU A 0 54 . 9.467 8.161 16.911 1.00 83.58 54 A 1 ATOM 462 O O . GLU A 0 54 . 6.787 6.108 16.384 1.00 83.58 54 A 1 ATOM 463 C CG . GLU A 0 54 . 8.358 9.195 16.703 1.00 83.58 54 A 1 ATOM 464 C CD . GLU A 0 54 . 8.922 10.593 16.440 1.00 83.58 54 A 1 ATOM 465 O OE1 . GLU A 0 54 . 8.126 11.543 16.578 1.00 83.58 54 A 1 ATOM 466 O OE2 . GLU A 0 54 . 10.127 10.677 16.109 1.00 83.58 54 A 1 ATOM 467 N N . TYR A 0 55 . 8.548 5.819 15.030 1.00 81.18 55 A 1 ATOM 468 C CA . TYR A 0 55 . 7.763 5.220 13.946 1.00 81.18 55 A 1 ATOM 469 C C . TYR A 0 55 . 7.033 3.953 14.410 1.00 81.18 55 A 1 ATOM 470 C CB . TYR A 0 55 . 8.682 4.914 12.756 1.00 81.18 55 A 1 ATOM 471 O O . TYR A 0 55 . 5.858 3.752 14.099 1.00 81.18 55 A 1 ATOM 472 C CG . TYR A 0 55 . 7.964 4.270 11.586 1.00 81.18 55 A 1 ATOM 473 C CD1 . TYR A 0 55 . 7.860 2.868 11.506 1.00 81.18 55 A 1 ATOM 474 C CD2 . TYR A 0 55 . 7.366 5.077 10.601 1.00 81.18 55 A 1 ATOM 475 C CE1 . TYR A 0 55 . 7.173 2.275 10.430 1.00 81.18 55 A 1 ATOM 476 C CE2 . TYR A 0 55 . 6.673 4.488 9.527 1.00 81.18 55 A 1 ATOM 477 O OH . TYR A 0 55 . 5.921 2.492 8.411 1.00 81.18 55 A 1 ATOM 478 C CZ . TYR A 0 55 . 6.582 3.083 9.439 1.00 81.18 55 A 1 ATOM 479 N N . ILE A 0 56 . 7.704 3.103 15.198 1.00 83.22 56 A 1 ATOM 480 C CA . ILE A 0 56 . 7.094 1.895 15.772 1.00 83.22 56 A 1 ATOM 481 C C . ILE A 0 56 . 5.931 2.266 16.703 1.00 83.22 56 A 1 ATOM 482 C CB . ILE A 0 56 . 8.161 1.037 16.494 1.00 83.22 56 A 1 ATOM 483 O O . ILE A 0 56 . 4.877 1.628 16.651 1.00 83.22 56 A 1 ATOM 484 C CG1 . ILE A 0 56 . 9.197 0.510 15.471 1.00 83.22 56 A 1 ATOM 485 C CG2 . ILE A 0 56 . 7.509 -0.142 17.249 1.00 83.22 56 A 1 ATOM 486 C CD1 . ILE A 0 56 . 10.412 -0.180 16.104 1.00 83.22 56 A 1 ATOM 487 N N . ARG A 0 57 . 6.094 3.303 17.532 1.00 84.09 57 A 1 ATOM 488 C CA . ARG A 0 57 . 5.054 3.799 18.444 1.00 84.09 57 A 1 ATOM 489 C C . ARG A 0 57 . 3.837 4.328 17.688 1.00 84.09 57 A 1 ATOM 490 C CB . ARG A 0 57 . 5.675 4.882 19.329 1.00 84.09 57 A 1 ATOM 491 O O . ARG A 0 57 . 2.719 3.953 18.029 1.00 84.09 57 A 1 ATOM 492 C CG . ARG A 0 57 . 4.842 5.232 20.572 1.00 84.09 57 A 1 ATOM 493 C CD . ARG A 0 57 . 5.389 6.484 21.276 1.00 84.09 57 A 1 ATOM 494 N NE . ARG A 0 57 . 6.867 6.502 21.333 1.00 84.09 57 A 1 ATOM 495 N NH1 . ARG A 0 57 . 7.135 8.377 22.630 1.00 84.09 57 A 1 ATOM 496 N NH2 . ARG A 0 57 . 8.923 7.371 21.746 1.00 84.09 57 A 1 ATOM 497 C CZ . ARG A 0 57 . 7.631 7.415 21.903 1.00 84.09 57 A 1 ATOM 498 N N . ILE A 0 58 . 4.059 5.123 16.640 1.00 84.23 58 A 1 ATOM 499 C CA . ILE A 0 58 . 3.003 5.672 15.776 1.00 84.23 58 A 1 ATOM 500 C C . ILE A 0 58 . 2.232 4.545 15.079 1.00 84.23 58 A 1 ATOM 501 C CB . ILE A 0 58 . 3.615 6.668 14.761 1.00 84.23 58 A 1 ATOM 502 O O . ILE A 0 58 . 1.006 4.534 15.088 1.00 84.23 58 A 1 ATOM 503 C CG1 . ILE A 0 58 . 4.130 7.933 15.487 1.00 84.23 58 A 1 ATOM 504 C CG2 . ILE A 0 58 . 2.586 7.065 13.686 1.00 84.23 58 A 1 ATOM 505 C CD1 . ILE A 0 58 . 5.019 8.827 14.611 1.00 84.23 58 A 1 ATOM 506 N N . GLN A 0 59 . 2.925 3.553 14.517 1.00 83.17 59 A 1 ATOM 507 C CA . GLN A 0 59 . 2.268 2.409 13.874 1.00 83.17 59 A 1 ATOM 508 C C . GLN A 0 59 . 1.422 1.595 14.866 1.00 83.17 59 A 1 ATOM 509 C CB . GLN A 0 59 . 3.341 1.521 13.228 1.00 83.17 59 A 1 ATOM 510 O O . GLN A 0 59 . 0.325 1.145 14.534 1.00 83.17 59 A 1 ATOM 511 C CG . GLN A 0 59 . 3.899 2.128 11.931 1.00 83.17 59 A 1 ATOM 512 C CD . GLN A 0 59 . 2.890 2.079 10.788 1.00 83.17 59 A 1 ATOM 513 N NE2 . GLN A 0 59 . 2.692 3.157 10.065 1.00 83.17 59 A 1 ATOM 514 O OE1 . GLN A 0 59 . 2.272 1.060 10.530 1.00 83.17 59 A 1 ATOM 515 N N . ARG A 0 60 . 1.902 1.422 16.105 1.00 87.84 60 A 1 ATOM 516 C CA . ARG A 0 60 . 1.142 0.741 17.163 1.00 87.84 60 A 1 ATOM 517 C C . ARG A 0 60 . -0.106 1.524 17.568 1.00 87.84 60 A 1 ATOM 518 C CB . ARG A 0 60 . 2.029 0.474 18.386 1.00 87.84 60 A 1 ATOM 519 O O . ARG A 0 60 . -1.171 0.919 17.653 1.00 87.84 60 A 1 ATOM 520 C CG . ARG A 0 60 . 3.013 -0.681 18.161 1.00 87.84 60 A 1 ATOM 521 C CD . ARG A 0 60 . 3.892 -0.837 19.406 1.00 87.84 60 A 1 ATOM 522 N NE . ARG A 0 60 . 4.884 -1.919 19.255 1.00 87.84 60 A 1 ATOM 523 N NH1 . ARG A 0 60 . 5.743 -1.813 21.387 1.00 87.84 60 A 1 ATOM 524 N NH2 . ARG A 0 60 . 6.585 -3.278 19.936 1.00 87.84 60 A 1 ATOM 525 C CZ . ARG A 0 60 . 5.727 -2.330 20.189 1.00 87.84 60 A 1 ATOM 526 N N . SER A 0 61 . 0.002 2.835 17.792 1.00 86.06 61 A 1 ATOM 527 C CA . SER A 0 61 . -1.153 3.660 18.172 1.00 86.06 61 A 1 ATOM 528 C C . SER A 0 61 . -2.197 3.723 17.057 1.00 86.06 61 A 1 ATOM 529 C CB . SER A 0 61 . -0.723 5.068 18.593 1.00 86.06 61 A 1 ATOM 530 O O . SER A 0 61 . -3.380 3.540 17.326 1.00 86.06 61 A 1 ATOM 531 O OG . SER A 0 61 . -0.089 5.759 17.536 1.00 86.06 61 A 1 ATOM 532 N N . GLN A 0 62 . -1.767 3.866 15.800 1.00 85.33 62 A 1 ATOM 533 C CA . GLN A 0 62 . -2.654 3.820 14.633 1.00 85.33 62 A 1 ATOM 534 C C . GLN A 0 62 . -3.415 2.494 14.548 1.00 85.33 62 A 1 ATOM 535 C CB . GLN A 0 62 . -1.836 4.037 13.352 1.00 85.33 62 A 1 ATOM 536 O O . GLN A 0 62 . -4.625 2.493 14.330 1.00 85.33 62 A 1 ATOM 537 C CG . GLN A 0 62 . -1.403 5.501 13.201 1.00 85.33 62 A 1 ATOM 538 C CD . GLN A 0 62 . -0.462 5.734 12.023 1.00 85.33 62 A 1 ATOM 539 N NE2 . GLN A 0 62 . -0.082 6.970 11.772 1.00 85.33 62 A 1 ATOM 540 O OE1 . GLN A 0 62 . -0.019 4.841 11.318 1.00 85.33 62 A 1 ATOM 541 N N . LYS A 0 63 . -2.734 1.365 14.785 1.00 88.02 63 A 1 ATOM 542 C CA . LYS A 0 63 . -3.374 0.045 14.807 1.00 88.02 63 A 1 ATOM 543 C C . LYS A 0 63 . -4.449 -0.057 15.895 1.00 88.02 63 A 1 ATOM 544 C CB . LYS A 0 63 . -2.296 -1.039 14.950 1.00 88.02 63 A 1 ATOM 545 O O . LYS A 0 63 . -5.535 -0.558 15.615 1.00 88.02 63 A 1 ATOM 546 C CG . LYS A 0 63 . -2.905 -2.442 14.844 1.00 88.02 63 A 1 ATOM 547 C CD . LYS A 0 63 . -1.839 -3.537 14.945 1.00 88.02 63 A 1 ATOM 548 C CE . LYS A 0 63 . -2.551 -4.892 14.867 1.00 88.02 63 A 1 ATOM 549 N NZ . LYS A 0 63 . -1.618 -6.035 15.011 1.00 88.02 63 A 1 ATOM 550 N N . ILE A 0 64 . -4.161 0.424 17.106 1.00 86.61 64 A 1 ATOM 551 C CA . ILE A 0 64 . -5.113 0.404 18.229 1.00 86.61 64 A 1 ATOM 552 C C . ILE A 0 64 . -6.324 1.293 17.924 1.00 86.61 64 A 1 ATOM 553 C CB . ILE A 0 64 . -4.413 0.810 19.547 1.00 86.61 64 A 1 ATOM 554 O O . ILE A 0 64 . -7.457 0.842 18.059 1.00 86.61 64 A 1 ATOM 555 C CG1 . ILE A 0 64 . -3.374 -0.263 19.950 1.00 86.61 64 A 1 ATOM 556 C CG2 . ILE A 0 64 . -5.436 1.003 20.684 1.00 86.61 64 A 1 ATOM 557 C CD1 . ILE A 0 64 . -2.399 0.199 21.040 1.00 86.61 64 A 1 ATOM 558 N N . HIS A 0 65 . -6.106 2.523 17.453 1.00 84.45 65 A 1 ATOM 559 C CA . HIS A 0 65 . -7.200 3.430 17.098 1.00 84.45 65 A 1 ATOM 560 C C . HIS A 0 65 . -8.074 2.864 15.976 1.00 84.45 65 A 1 ATOM 561 C CB . HIS A 0 65 . -6.637 4.790 16.674 1.00 84.45 65 A 1 ATOM 562 O O . HIS A 0 65 . -9.298 2.921 16.070 1.00 84.45 65 A 1 ATOM 563 C CG . HIS A 0 65 . -6.031 5.613 17.782 1.00 84.45 65 A 1 ATOM 564 C CD2 . HIS A 0 65 . -6.074 5.376 19.133 1.00 84.45 65 A 1 ATOM 565 N ND1 . HIS A 0 65 . -5.386 6.814 17.604 1.00 84.45 65 A 1 ATOM 566 C CE1 . HIS A 0 65 . -5.042 7.287 18.812 1.00 84.45 65 A 1 ATOM 567 N NE2 . HIS A 0 65 . -5.421 6.435 19.774 1.00 84.45 65 A 1 ATOM 568 N N . LYS A 0 66 . -7.472 2.260 14.941 1.00 83.25 66 A 1 ATOM 569 C CA . LYS A 0 66 . -8.226 1.589 13.876 1.00 83.25 66 A 1 ATOM 570 C C . LYS A 0 66 . -9.121 0.493 14.445 1.00 83.25 66 A 1 ATOM 571 C CB . LYS A 0 66 . -7.263 1.032 12.817 1.00 83.25 66 A 1 ATOM 572 O O . LYS A 0 66 . -10.295 0.426 14.094 1.00 83.25 66 A 1 ATOM 573 C CG . LYS A 0 66 . -8.040 0.350 11.681 1.00 83.25 66 A 1 ATOM 574 C CD . LYS A 0 66 . -7.114 -0.169 10.581 1.00 83.25 66 A 1 ATOM 575 C CE . LYS A 0 66 . -7.986 -0.767 9.469 1.00 83.25 66 A 1 ATOM 576 N NZ . LYS A 0 66 . -7.274 -0.822 8.175 1.00 83.25 66 A 1 ATOM 577 N N . GLN A 0 67 . -8.584 -0.338 15.334 1.00 85.06 67 A 1 ATOM 578 C CA . GLN A 0 67 . -9.350 -1.408 15.961 1.00 85.06 67 A 1 ATOM 579 C C . GLN A 0 67 . -10.518 -0.860 16.797 1.00 85.06 67 A 1 ATOM 580 C CB . GLN A 0 67 . -8.388 -2.292 16.760 1.00 85.06 67 A 1 ATOM 581 O O . GLN A 0 67 . -11.637 -1.335 16.647 1.00 85.06 67 A 1 ATOM 582 C CG . GLN A 0 67 . -9.127 -3.506 17.322 1.00 85.06 67 A 1 ATOM 583 C CD . GLN A 0 67 . -8.212 -4.571 17.906 1.00 85.06 67 A 1 ATOM 584 N NE2 . GLN A 0 67 . -8.808 -5.590 18.476 1.00 85.06 67 A 1 ATOM 585 O OE1 . GLN A 0 67 . -6.986 -4.522 17.849 1.00 85.06 67 A 1 ATOM 586 N N . GLN A 0 68 . -10.303 0.205 17.573 1.00 84.79 68 A 1 ATOM 587 C CA . GLN A 0 68 . -11.369 0.869 18.335 1.00 84.79 68 A 1 ATOM 588 C C . GLN A 0 68 . -12.467 1.461 17.438 1.00 84.79 68 A 1 ATOM 589 C CB . GLN A 0 68 . -10.757 1.993 19.179 1.00 84.79 68 A 1 ATOM 590 O O . GLN A 0 68 . -13.649 1.396 17.774 1.00 84.79 68 A 1 ATOM 591 C CG . GLN A 0 68 . -9.917 1.462 20.346 1.00 84.79 68 A 1 ATOM 592 C CD . GLN A 0 68 . -9.222 2.580 21.113 1.00 84.79 68 A 1 ATOM 593 N NE2 . GLN A 0 68 . -8.873 2.352 22.359 1.00 84.79 68 A 1 ATOM 594 O OE1 . GLN A 0 68 . -8.962 3.668 20.622 1.00 84.79 68 A 1 ATOM 595 N N . ILE A 0 69 . -12.102 2.040 16.289 1.00 80.27 69 A 1 ATOM 596 C CA . ILE A 0 69 . -13.073 2.561 15.315 1.00 80.27 69 A 1 ATOM 597 C C . ILE A 0 69 . -13.895 1.413 14.722 1.00 80.27 69 A 1 ATOM 598 C CB . ILE A 0 69 . -12.360 3.386 14.218 1.00 80.27 69 A 1 ATOM 599 O O . ILE A 0 69 . -15.115 1.533 14.625 1.00 80.27 69 A 1 ATOM 600 C CG1 . ILE A 0 69 . -11.775 4.683 14.823 1.00 80.27 69 A 1 ATOM 601 C CG2 . ILE A 0 69 . -13.308 3.757 13.057 1.00 80.27 69 A 1 ATOM 602 C CD1 . ILE A 0 69 . -10.766 5.384 13.905 1.00 80.27 69 A 1 ATOM 603 N N . VAL A 0 70 . -13.242 0.306 14.355 1.00 82.82 70 A 1 ATOM 604 C CA . VAL A 0 70 . -13.911 -0.892 13.828 1.00 82.82 70 A 1 ATOM 605 C C . VAL A 0 70 . -14.870 -1.484 14.862 1.00 82.82 70 A 1 ATOM 606 C CB . VAL A 0 70 . -12.878 -1.940 13.369 1.00 82.82 70 A 1 ATOM 607 O O . VAL A 0 70 . -16.010 -1.776 14.520 1.00 82.82 70 A 1 ATOM 608 C CG1 . VAL A 0 70 . -13.528 -3.287 13.035 1.00 82.82 70 A 1 ATOM 609 C CG2 . VAL A 0 70 . -12.141 -1.470 12.107 1.00 82.82 70 A 1 ATOM 610 N N . GLU A 0 71 . -14.451 -1.607 16.122 1.00 83.54 71 A 1 ATOM 611 C CA . GLU A 0 71 . -15.297 -2.120 17.207 1.00 83.54 71 A 1 ATOM 612 C C . GLU A 0 71 . -16.513 -1.219 17.469 1.00 83.54 71 A 1 ATOM 613 C CB . GLU A 0 71 . -14.456 -2.265 18.488 1.00 83.54 71 A 1 ATOM 614 O O . GLU A 0 71 . -17.613 -1.716 17.698 1.00 83.54 71 A 1 ATOM 615 C CG . GLU A 0 71 . -13.516 -3.485 18.438 1.00 83.54 71 A 1 ATOM 616 C CD . GLU A 0 71 . -12.512 -3.550 19.605 1.00 83.54 71 A 1 ATOM 617 O OE1 . GLU A 0 71 . -11.581 -4.392 19.512 1.00 83.54 71 A 1 ATOM 618 O OE2 . GLU A 0 71 . -12.639 -2.746 20.558 1.00 83.54 71 A 1 ATOM 619 N N . LYS A 0 72 . -16.341 0.108 17.409 1.00 86.70 72 A 1 ATOM 620 C CA . LYS A 0 72 . -17.407 1.065 17.740 1.00 86.70 72 A 1 ATOM 621 C C . LYS A 0 72 . -18.390 1.329 16.597 1.00 86.70 72 A 1 ATOM 622 C CB . LYS A 0 72 . -16.758 2.356 18.253 1.00 86.70 72 A 1 ATOM 623 O O . LYS A 0 72 . -19.573 1.532 16.855 1.00 86.70 72 A 1 ATOM 624 C CG . LYS A 0 72 . -17.806 3.329 18.808 1.00 86.70 72 A 1 ATOM 625 C CD . LYS A 0 72 . -17.142 4.530 19.481 1.00 86.70 72 A 1 ATOM 626 C CE . LYS A 0 72 . -18.241 5.451 20.016 1.00 86.70 72 A 1 ATOM 627 N NZ . LYS A 0 72 . -17.679 6.689 20.603 1.00 86.70 72 A 1 ATOM 628 N N . TYR A 0 73 . -17.911 1.387 15.356 1.00 85.56 73 A 1 ATOM 629 C CA . TYR A 0 73 . -18.706 1.829 14.201 1.00 85.56 73 A 1 ATOM 630 C C . TYR A 0 73 . -18.834 0.774 13.093 1.00 85.56 73 A 1 ATOM 631 C CB . TYR A 0 73 . -18.110 3.126 13.645 1.00 85.56 73 A 1 ATOM 632 O O . TYR A 0 73 . -19.532 1.000 12.104 1.00 85.56 73 A 1 ATOM 633 C CG . TYR A 0 73 . -18.000 4.275 14.631 1.00 85.56 73 A 1 ATOM 634 C CD1 . TYR A 0 73 . -19.151 4.982 15.027 1.00 85.56 73 A 1 ATOM 635 C CD2 . TYR A 0 73 . -16.741 4.649 15.134 1.00 85.56 73 A 1 ATOM 636 C CE1 . TYR A 0 73 . -19.045 6.060 15.928 1.00 85.56 73 A 1 ATOM 637 C CE2 . TYR A 0 73 . -16.622 5.746 16.007 1.00 85.56 73 A 1 ATOM 638 O OH . TYR A 0 73 . -17.653 7.495 17.271 1.00 85.56 73 A 1 ATOM 639 C CZ . TYR A 0 73 . -17.778 6.449 16.410 1.00 85.56 73 A 1 ATOM 640 N N . GLY A 0 74 . -18.171 -0.372 13.241 1.00 82.24 74 A 1 ATOM 641 C CA . GLY A 0 74 . -18.117 -1.424 12.233 1.00 82.24 74 A 1 ATOM 642 C C . GLY A 0 74 . -17.059 -1.185 11.151 1.00 82.24 74 A 1 ATOM 643 O O . GLY A 0 74 . -16.605 -0.067 10.889 1.00 82.24 74 A 1 ATOM 644 N N . GLU A 0 75 . -16.678 -2.271 10.478 1.00 84.86 75 A 1 ATOM 645 C CA . GLU A 0 75 . -15.630 -2.284 9.446 1.00 84.86 75 A 1 ATOM 646 C C . GLU A 0 75 . -15.936 -1.355 8.265 1.00 84.86 75 A 1 ATOM 647 C CB . GLU A 0 75 . -15.465 -3.711 8.908 1.00 84.86 75 A 1 ATOM 648 O O . GLU A 0 75 . -15.046 -0.669 7.759 1.00 84.86 75 A 1 ATOM 649 C CG . GLU A 0 75 . -14.913 -4.682 9.961 1.00 84.86 75 A 1 ATOM 650 C CD . GLU A 0 75 . -14.686 -6.096 9.408 1.00 84.86 75 A 1 ATOM 651 O OE1 . GLU A 0 75 . -14.030 -6.881 10.125 1.00 84.86 75 A 1 ATOM 652 O OE2 . GLU A 0 75 . -15.140 -6.368 8.274 1.00 84.86 75 A 1 ATOM 653 N N . HIS A 0 76 . -17.205 -1.288 7.849 1.00 82.18 76 A 1 ATOM 654 C CA . HIS A 0 76 . -17.623 -0.464 6.717 1.00 82.18 76 A 1 ATOM 655 C C . HIS A 0 76 . -17.366 1.028 6.974 1.00 82.18 76 A 1 ATOM 656 C CB . HIS A 0 76 . -19.102 -0.736 6.414 1.00 82.18 76 A 1 ATOM 657 O O . HIS A 0 76 . -16.855 1.731 6.102 1.00 82.18 76 A 1 ATOM 658 C CG . HIS A 0 76 . -19.583 -0.002 5.188 1.00 82.18 76 A 1 ATOM 659 C CD2 . HIS A 0 76 . -19.424 -0.398 3.887 1.00 82.18 76 A 1 ATOM 660 N ND1 . HIS A 0 76 . -20.225 1.215 5.166 1.00 82.18 76 A 1 ATOM 661 C CE1 . HIS A 0 76 . -20.447 1.542 3.883 1.00 82.18 76 A 1 ATOM 662 N NE2 . HIS A 0 76 . -19.968 0.594 3.065 1.00 82.18 76 A 1 ATOM 663 N N . PHE A 0 77 . -17.659 1.510 8.186 1.00 79.10 77 A 1 ATOM 664 C CA . PHE A 0 77 . -17.375 2.891 8.567 1.00 79.10 77 A 1 ATOM 665 C C . PHE A 0 77 . -15.867 3.153 8.620 1.00 79.10 77 A 1 ATOM 666 C CB . PHE A 0 77 . -18.039 3.194 9.912 1.00 79.10 77 A 1 ATOM 667 O O . PHE A 0 77 . -15.398 4.137 8.048 1.00 79.10 77 A 1 ATOM 668 C CG . PHE A 0 77 . -17.843 4.628 10.359 1.00 79.10 77 A 1 ATOM 669 C CD1 . PHE A 0 77 . -16.792 4.960 11.236 1.00 79.10 77 A 1 ATOM 670 C CD2 . PHE A 0 77 . -18.705 5.637 9.891 1.00 79.10 77 A 1 ATOM 671 C CE1 . PHE A 0 77 . -16.627 6.285 11.670 1.00 79.10 77 A 1 ATOM 672 C CE2 . PHE A 0 77 . -18.525 6.968 10.307 1.00 79.10 77 A 1 ATOM 673 C CZ . PHE A 0 77 . -17.490 7.291 11.202 1.00 79.10 77 A 1 ATOM 674 N N . ALA A 0 78 . -15.096 2.242 9.226 1.00 77.96 78 A 1 ATOM 675 C CA . ALA A 0 78 . -13.643 2.363 9.307 1.00 77.96 78 A 1 ATOM 676 C C . ALA A 0 78 . -12.988 2.469 7.916 1.00 77.96 78 A 1 ATOM 677 C CB . ALA A 0 78 . -13.098 1.171 10.098 1.00 77.96 78 A 1 ATOM 678 O O . ALA A 0 78 . -12.151 3.342 7.700 1.00 77.96 78 A 1 ATOM 679 N N . MET A 0 79 . -13.416 1.655 6.943 1.00 80.22 79 A 1 ATOM 680 C CA . MET A 0 79 . -12.911 1.728 5.565 1.00 80.22 79 A 1 ATOM 681 C C . MET A 0 79 . -13.239 3.053 4.867 1.00 80.22 79 A 1 ATOM 682 C CB . MET A 0 79 . -13.501 0.593 4.719 1.00 80.22 79 A 1 ATOM 683 O O . MET A 0 79 . -12.435 3.551 4.077 1.00 80.22 79 A 1 ATOM 684 C CG . MET A 0 79 . -12.827 -0.757 4.967 1.00 80.22 79 A 1 ATOM 685 S SD . MET A 0 79 . -13.280 -2.019 3.742 1.00 80.22 79 A 1 ATOM 686 C CE . MET A 0 79 . -12.373 -1.439 2.284 1.00 80.22 79 A 1 ATOM 687 N N . VAL A 0 80 . -14.422 3.624 5.113 1.00 79.66 80 A 1 ATOM 688 C CA . VAL A 0 80 . -14.811 4.922 4.534 1.00 79.66 80 A 1 ATOM 689 C C . VAL A 0 80 . -13.967 6.050 5.125 1.00 79.66 80 A 1 ATOM 690 C CB . VAL A 0 80 . -16.316 5.186 4.728 1.00 79.66 80 A 1 ATOM 691 O O . VAL A 0 80 . -13.534 6.930 4.379 1.00 79.66 80 A 1 ATOM 692 C CG1 . VAL A 0 80 . -16.724 6.605 4.303 1.00 79.66 80 A 1 ATOM 693 C CG2 . VAL A 0 80 . -17.146 4.213 3.879 1.00 79.66 80 A 1 ATOM 694 N N . VAL A 0 81 . -13.703 6.006 6.434 1.00 73.14 81 A 1 ATOM 695 C CA . VAL A 0 81 . -12.815 6.960 7.111 1.00 73.14 81 A 1 ATOM 696 C C . VAL A 0 81 . -11.389 6.834 6.575 1.00 73.14 81 A 1 ATOM 697 C CB . VAL A 0 81 . -12.878 6.798 8.642 1.00 73.14 81 A 1 ATOM 698 O O . VAL A 0 81 . -10.834 7.841 6.161 1.00 73.14 81 A 1 ATOM 699 C CG1 . VAL A 0 81 . -11.869 7.695 9.367 1.00 73.14 81 A 1 ATOM 700 C CG2 . VAL A 0 81 . -14.271 7.180 9.164 1.00 73.14 81 A 1 ATOM 701 N N . GLU A 0 82 . -10.832 5.625 6.443 1.00 70.54 82 A 1 ATOM 702 C CA . GLU A 0 82 . -9.485 5.429 5.871 1.00 70.54 82 A 1 ATOM 703 C C . GLU A 0 82 . -9.355 5.948 4.433 1.00 70.54 82 A 1 ATOM 704 C CB . GLU A 0 82 . -9.099 3.940 5.882 1.00 70.54 82 A 1 ATOM 705 O O . GLU A 0 82 . -8.317 6.489 4.059 1.00 70.54 82 A 1 ATOM 706 C CG . GLU A 0 82 . -8.726 3.445 7.281 1.00 70.54 82 A 1 ATOM 707 C CD . GLU A 0 82 . -8.077 2.056 7.260 1.00 70.54 82 A 1 ATOM 708 O OE1 . GLU A 0 82 . -7.159 1.821 8.077 1.00 70.54 82 A 1 ATOM 709 O OE2 . GLU A 0 82 . -8.476 1.145 6.496 1.00 70.54 82 A 1 ATOM 710 N N . LYS A 0 83 . -10.406 5.813 3.612 1.00 71.12 83 A 1 ATOM 711 C CA . LYS A 0 83 . -10.407 6.355 2.244 1.00 71.12 83 A 1 ATOM 712 C C . LYS A 0 83 . -10.441 7.884 2.208 1.00 71.12 83 A 1 ATOM 713 C CB . LYS A 0 83 . -11.589 5.791 1.448 1.00 71.12 83 A 1 ATOM 714 O O . LYS A 0 83 . -9.902 8.466 1.268 1.00 71.12 83 A 1 ATOM 715 C CG . LYS A 0 83 . -11.339 4.356 0.973 1.00 71.12 83 A 1 ATOM 716 C CD . LYS A 0 83 . -12.542 3.874 0.155 1.00 71.12 83 A 1 ATOM 717 C CE . LYS A 0 83 . -12.324 2.434 -0.314 1.00 71.12 83 A 1 ATOM 718 N NZ . LYS A 0 83 . -13.468 1.953 -1.128 1.00 71.12 83 A 1 ATOM 719 N N . LYS A 0 84 . -11.107 8.526 3.174 1.00 64.55 84 A 1 ATOM 720 C CA . LYS A 0 84 . -11.171 9.993 3.280 1.00 64.55 84 A 1 ATOM 721 C C . LYS A 0 84 . -9.898 10.562 3.904 1.00 64.55 84 A 1 ATOM 722 C CB . LYS A 0 84 . -12.411 10.417 4.081 1.00 64.55 84 A 1 ATOM 723 O O . LYS A 0 84 . -9.317 11.497 3.358 1.00 64.55 84 A 1 ATOM 724 C CG . LYS A 0 84 . -13.690 10.370 3.233 1.00 64.55 84 A 1 ATOM 725 C CD . LYS A 0 84 . -14.876 10.902 4.045 1.00 64.55 84 A 1 ATOM 726 C CE . LYS A 0 84 . -16.137 10.985 3.179 1.00 64.55 84 A 1 ATOM 727 N NZ . LYS A 0 84 . -17.276 11.548 3.947 1.00 64.55 84 A 1 ATOM 728 N N . ASP A 0 85 . -9.432 9.952 4.986 1.00 56.94 85 A 1 ATOM 729 C CA . ASP A 0 85 . -8.271 10.381 5.754 1.00 56.94 85 A 1 ATOM 730 C C . ASP A 0 85 . -6.989 9.730 5.220 1.00 56.94 85 A 1 ATOM 731 C CB . ASP A 0 85 . -8.503 10.159 7.260 1.00 56.94 85 A 1 ATOM 732 O O . ASP A 0 85 . -6.285 8.992 5.909 1.00 56.94 85 A 1 ATOM 733 C CG . ASP A 0 85 . -9.594 11.065 7.845 1.00 56.94 85 A 1 ATOM 734 O OD1 . ASP A 0 85 . -9.826 12.154 7.270 1.00 56.94 85 A 1 ATOM 735 O OD2 . ASP A 0 85 . -10.174 10.673 8.881 1.00 56.94 85 A 1 ATOM 736 N N . ASN A 0 86 . -6.618 10.097 3.990 1.00 51.88 86 A 1 ATOM 737 C CA . ASN A 0 86 . -5.279 9.907 3.408 1.00 51.88 86 A 1 ATOM 738 C C . ASN A 0 86 . -4.161 10.665 4.186 1.00 51.88 86 A 1 ATOM 739 C CB . ASN A 0 86 . -5.338 10.284 1.905 1.00 51.88 86 A 1 ATOM 740 O O . ASN A 0 86 . -3.178 11.126 3.605 1.00 51.88 86 A 1 ATOM 741 C CG . ASN A 0 86 . -5.600 9.109 0.979 1.00 51.88 86 A 1 ATOM 742 N ND2 . ASN A 0 86 . -6.341 9.320 -0.083 1.00 51.88 86 A 1 ATOM 743 O OD1 . ASN A 0 86 . -5.095 8.013 1.146 1.00 51.88 86 A 1 ATOM 744 N N . TYR A 0 87 . -4.266 10.811 5.512 1.00 45.57 87 A 1 ATOM 745 C CA . TYR A 0 87 . -3.267 11.463 6.364 1.00 45.57 87 A 1 ATOM 746 C C . TYR A 0 87 . -2.035 10.591 6.640 1.00 45.57 87 A 1 ATOM 747 C CB . TYR A 0 87 . -3.918 11.959 7.667 1.00 45.57 87 A 1 ATOM 748 O O . TYR A 0 87 . -0.972 11.126 6.953 1.00 45.57 87 A 1 ATOM 749 C CG . TYR A 0 87 . -4.193 13.449 7.645 1.00 45.57 87 A 1 ATOM 750 C CD1 . TYR A 0 87 . -3.171 14.352 8.003 1.00 45.57 87 A 1 ATOM 751 C CD2 . TYR A 0 87 . -5.452 13.934 7.245 1.00 45.57 87 A 1 ATOM 752 C CE1 . TYR A 0 87 . -3.410 15.740 7.975 1.00 45.57 87 A 1 ATOM 753 C CE2 . TYR A 0 87 . -5.690 15.322 7.201 1.00 45.57 87 A 1 ATOM 754 O OH . TYR A 0 87 . -4.909 17.564 7.539 1.00 45.57 87 A 1 ATOM 755 C CZ . TYR A 0 87 . -4.673 16.226 7.571 1.00 45.57 87 A 1 ATOM 756 N N . HIS A 0 88 . -2.106 9.267 6.456 1.00 43.86 88 A 1 ATOM 757 C CA . HIS A 0 88 . -0.936 8.400 6.657 1.00 43.86 88 A 1 ATOM 758 C C . HIS A 0 88 . 0.175 8.593 5.609 1.00 43.86 88 A 1 ATOM 759 C CB . HIS A 0 88 . -1.377 6.935 6.777 1.00 43.86 88 A 1 ATOM 760 O O . HIS A 0 88 . 1.288 8.121 5.823 1.00 43.86 88 A 1 ATOM 761 C CG . HIS A 0 88 . -2.214 6.689 8.006 1.00 43.86 88 A 1 ATOM 762 C CD2 . HIS A 0 88 . -3.467 6.137 8.056 1.00 43.86 88 A 1 ATOM 763 N ND1 . HIS A 0 88 . -1.880 7.041 9.293 1.00 43.86 88 A 1 ATOM 764 C CE1 . HIS A 0 88 . -2.907 6.723 10.093 1.00 43.86 88 A 1 ATOM 765 N NE2 . HIS A 0 88 . -3.888 6.154 9.389 1.00 43.86 88 A 1 ATOM 766 N N . LEU A 0 89 . -0.088 9.320 4.516 1.00 42.41 89 A 1 ATOM 767 C CA . LEU A 0 89 . 0.879 9.575 3.442 1.00 42.41 89 A 1 ATOM 768 C C . LEU A 0 89 . 1.485 10.986 3.435 1.00 42.41 89 A 1 ATOM 769 C CB . LEU A 0 89 . 0.251 9.159 2.094 1.00 42.41 89 A 1 ATOM 770 O O . LEU A 0 89 . 2.251 11.295 2.528 1.00 42.41 89 A 1 ATOM 771 C CG . LEU A 0 89 . 0.820 7.819 1.577 1.00 42.41 89 A 1 ATOM 772 C CD1 . LEU A 0 89 . -0.301 6.891 1.113 1.00 42.41 89 A 1 ATOM 773 C CD2 . LEU A 0 89 . 1.783 8.046 0.411 1.00 42.41 89 A 1 ATOM 774 N N . LYS A 0 90 . 1.209 11.835 4.438 1.00 37.07 90 A 1 ATOM 775 C CA . LYS A 0 90 . 1.822 13.177 4.526 1.00 37.07 90 A 1 ATOM 776 C C . LYS A 0 90 . 2.997 13.303 5.497 1.00 37.07 90 A 1 ATOM 777 C CB . LYS A 0 90 . 0.750 14.263 4.719 1.00 37.07 90 A 1 ATOM 778 O O . LYS A 0 90 . 3.579 14.375 5.589 1.00 37.07 90 A 1 ATOM 779 C CG . LYS A 0 90 . 0.730 15.200 3.502 1.00 37.07 90 A 1 ATOM 780 C CD . LYS A 0 90 . -0.315 16.304 3.678 1.00 37.07 90 A 1 ATOM 781 C CE . LYS A 0 90 . -0.344 17.198 2.435 1.00 37.07 90 A 1 ATOM 782 N NZ . LYS A 0 90 . -1.321 18.304 2.590 1.00 37.07 90 A 1 ATOM 783 N N . ILE A 0 91 . 3.391 12.223 6.170 1.00 40.42 91 A 1 ATOM 784 C CA . ILE A 0 91 . 4.675 12.159 6.882 1.00 40.42 91 A 1 ATOM 785 C C . ILE A 0 91 . 5.674 11.523 5.914 1.00 40.42 91 A 1 ATOM 786 C CB . ILE A 0 91 . 4.567 11.397 8.227 1.00 40.42 91 A 1 ATOM 787 O O . ILE A 0 91 . 5.874 10.315 5.975 1.00 40.42 91 A 1 ATOM 788 C CG1 . ILE A 0 91 . 3.379 11.886 9.087 1.00 40.42 91 A 1 ATOM 789 C CG2 . ILE A 0 91 . 5.895 11.557 8.994 1.00 40.42 91 A 1 ATOM 790 C CD1 . ILE A 0 91 . 3.159 11.054 10.357 1.00 40.42 91 A 1 ATOM 791 N N . ASN A 0 92 . 6.133 12.300 4.928 1.00 35.48 92 A 1 ATOM 792 C CA . ASN A 0 92 . 7.339 12.112 4.090 1.00 35.48 92 A 1 ATOM 793 C C . ASN A 0 92 . 7.279 12.992 2.816 1.00 35.48 92 A 1 ATOM 794 C CB . ASN A 0 92 . 7.641 10.630 3.748 1.00 35.48 92 A 1 ATOM 795 O O . ASN A 0 92 . 7.732 12.572 1.752 1.00 35.48 92 A 1 ATOM 796 C CG . ASN A 0 92 . 8.374 9.878 4.848 1.00 35.48 92 A 1 ATOM 797 N ND2 . ASN A 0 92 . 8.570 8.593 4.666 1.00 35.48 92 A 1 ATOM 798 O OD1 . ASN A 0 92 . 8.811 10.400 5.861 1.00 35.48 92 A 1 ATOM 799 N N . ASN A 0 93 . 6.722 14.202 2.919 1.00 37.42 93 A 1 ATOM 800 C CA . ASN A 0 93 . 7.091 15.312 2.039 1.00 37.42 93 A 1 ATOM 801 C C . ASN A 0 93 . 7.793 16.361 2.891 1.00 37.42 93 A 1 ATOM 802 C CB . ASN A 0 93 . 5.866 15.888 1.300 1.00 37.42 93 A 1 ATOM 803 O O . ASN A 0 93 . 7.266 16.622 3.997 1.00 37.42 93 A 1 ATOM 804 C CG . ASN A 0 93 . 5.692 15.409 -0.132 1.00 37.42 93 A 1 ATOM 805 N ND2 . ASN A 0 93 . 4.596 15.781 -0.750 1.00 37.42 93 A 1 ATOM 806 O OD1 . ASN A 0 93 . 6.499 14.739 -0.750 1.00 37.42 93 A 1 ATOM 807 O OXT . ASN A 0 93 . 8.832 16.846 2.410 1.00 37.42 93 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 64.34 # loop_ _atom_type.symbol C N O S #