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 ARG 0 3 TYR 0 4 ILE 0 5 LYS 0 6 MET 0 7 LEU 0 8 ILE 0 9 MET 0 10 LEU 0 11 PHE 0 12 ALA 0 13 VAL 0 14 HIS 0 15 LEU 0 16 THR 0 17 ILE 0 18 ILE 0 19 GLN 0 20 PHE 0 21 VAL 0 22 GLU 0 23 SER 0 24 GLY 0 25 CYS 0 26 ASP 0 27 THR 0 28 ARG 0 29 ASN 0 30 SER 0 31 LYS 0 32 ASN 0 33 PRO 0 34 THR 0 35 VAL 0 36 THR 0 37 GLU 0 38 VAL 0 39 LYS 0 40 LEU 0 41 GLY 0 42 ASN 0 43 GLU 0 44 PRO 0 45 ASP 0 46 TRP 0 47 ASN 0 48 GLN 0 49 ILE 0 50 PRO 0 51 ILE 0 52 GLY 0 53 VAL 0 54 GLU 0 55 VAL 0 56 ASP 0 57 ASP 0 58 HIS 0 59 ARG 0 60 PRO 0 61 ASN 0 62 PRO 0 63 ASP 0 64 ASP 0 65 PRO 0 66 ARG 0 67 LEU 0 68 ILE 0 69 PRO 0 70 PRO 0 71 PRO 0 72 PRO 0 73 GLU 0 74 ILE 0 75 ASP 0 76 GLY 0 77 ASP 0 78 PHE 0 79 PRO 0 80 ASN 0 81 PRO 0 82 ASP 0 83 ASN 0 84 TYR # 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 . -17.768 36.404 17.505 1.00 70.58 1 A 1 ATOM 2 C CA . MET A 0 1 . -17.319 35.463 16.446 1.00 70.58 1 A 1 ATOM 3 C C . MET A 0 1 . -16.511 34.266 16.964 1.00 70.58 1 A 1 ATOM 4 C CB . MET A 0 1 . -16.589 36.176 15.304 1.00 70.58 1 A 1 ATOM 5 O O . MET A 0 1 . -16.782 33.160 16.517 1.00 70.58 1 A 1 ATOM 6 C CG . MET A 0 1 . -17.508 37.178 14.594 1.00 70.58 1 A 1 ATOM 7 S SD . MET A 0 1 . -16.983 37.505 12.899 1.00 70.58 1 A 1 ATOM 8 C CE . MET A 0 1 . -18.020 38.934 12.482 1.00 70.58 1 A 1 ATOM 9 N N . ARG A 0 2 . -15.566 34.425 17.912 1.00 82.79 2 A 1 ATOM 10 C CA . ARG A 0 2 . -14.741 33.309 18.443 1.00 82.79 2 A 1 ATOM 11 C C . ARG A 0 2 . -15.558 32.125 18.988 1.00 82.79 2 A 1 ATOM 12 C CB . ARG A 0 2 . -13.757 33.860 19.498 1.00 82.79 2 A 1 ATOM 13 O O . ARG A 0 2 . -15.265 30.988 18.642 1.00 82.79 2 A 1 ATOM 14 C CG . ARG A 0 2 . -12.770 32.805 20.033 1.00 82.79 2 A 1 ATOM 15 C CD . ARG A 0 2 . -11.750 33.443 20.990 1.00 82.79 2 A 1 ATOM 16 N NE . ARG A 0 2 . -10.914 32.426 21.660 1.00 82.79 2 A 1 ATOM 17 N NH1 . ARG A 0 2 . -9.324 33.841 22.547 1.00 82.79 2 A 1 ATOM 18 N NH2 . ARG A 0 2 . -9.210 31.657 22.964 1.00 82.79 2 A 1 ATOM 19 C CZ . ARG A 0 2 . -9.826 32.648 22.383 1.00 82.79 2 A 1 ATOM 20 N N . TYR A 0 3 . -16.603 32.396 19.774 1.00 84.59 3 A 1 ATOM 21 C CA . TYR A 0 3 . -17.467 31.355 20.350 1.00 84.59 3 A 1 ATOM 22 C C . TYR A 0 3 . -18.226 30.544 19.295 1.00 84.59 3 A 1 ATOM 23 C CB . TYR A 0 3 . -18.453 31.996 21.333 1.00 84.59 3 A 1 ATOM 24 O O . TYR A 0 3 . -18.236 29.324 19.363 1.00 84.59 3 A 1 ATOM 25 C CG . TYR A 0 3 . -17.776 32.609 22.538 1.00 84.59 3 A 1 ATOM 26 C CD1 . TYR A 0 3 . -17.332 31.770 23.579 1.00 84.59 3 A 1 ATOM 27 C CD2 . TYR A 0 3 . -17.588 34.003 22.625 1.00 84.59 3 A 1 ATOM 28 C CE1 . TYR A 0 3 . -16.705 32.319 24.712 1.00 84.59 3 A 1 ATOM 29 C CE2 . TYR A 0 3 . -16.945 34.552 23.751 1.00 84.59 3 A 1 ATOM 30 O OH . TYR A 0 3 . -15.907 34.262 25.882 1.00 84.59 3 A 1 ATOM 31 C CZ . TYR A 0 3 . -16.510 33.714 24.799 1.00 84.59 3 A 1 ATOM 32 N N . ILE A 0 4 . -18.790 31.208 18.280 1.00 88.77 4 A 1 ATOM 33 C CA . ILE A 0 4 . -19.480 30.540 17.164 1.00 88.77 4 A 1 ATOM 34 C C . ILE A 0 4 . -18.526 29.605 16.419 1.00 88.77 4 A 1 ATOM 35 C CB . ILE A 0 4 . -20.120 31.601 16.239 1.00 88.77 4 A 1 ATOM 36 O O . ILE A 0 4 . -18.875 28.459 16.166 1.00 88.77 4 A 1 ATOM 37 C CG1 . ILE A 0 4 . -21.430 32.091 16.896 1.00 88.77 4 A 1 ATOM 38 C CG2 . ILE A 0 4 . -20.388 31.083 14.816 1.00 88.77 4 A 1 ATOM 39 C CD1 . ILE A 0 4 . -21.881 33.473 16.411 1.00 88.77 4 A 1 ATOM 40 N N . LYS A 0 5 . -17.293 30.052 16.141 1.00 85.91 5 A 1 ATOM 41 C CA . LYS A 0 5 . -16.278 29.206 15.497 1.00 85.91 5 A 1 ATOM 42 C C . LYS A 0 5 . -15.947 27.968 16.339 1.00 85.91 5 A 1 ATOM 43 C CB . LYS A 0 5 . -15.033 30.053 15.183 1.00 85.91 5 A 1 ATOM 44 O O . LYS A 0 5 . -15.828 26.876 15.796 1.00 85.91 5 A 1 ATOM 45 C CG . LYS A 0 5 . -14.045 29.292 14.285 1.00 85.91 5 A 1 ATOM 46 C CD . LYS A 0 5 . -12.851 30.165 13.870 1.00 85.91 5 A 1 ATOM 47 C CE . LYS A 0 5 . -11.919 29.342 12.967 1.00 85.91 5 A 1 ATOM 48 N NZ . LYS A 0 5 . -10.771 30.132 12.448 1.00 85.91 5 A 1 ATOM 49 N N . MET A 0 6 . -15.836 28.133 17.657 1.00 87.96 6 A 1 ATOM 50 C CA . MET A 0 6 . -15.574 27.027 18.581 1.00 87.96 6 A 1 ATOM 51 C C . MET A 0 6 . -16.756 26.046 18.662 1.00 87.96 6 A 1 ATOM 52 C CB . MET A 0 6 . -15.209 27.621 19.947 1.00 87.96 6 A 1 ATOM 53 O O . MET A 0 6 . -16.540 24.839 18.671 1.00 87.96 6 A 1 ATOM 54 C CG . MET A 0 6 . -14.682 26.572 20.924 1.00 87.96 6 A 1 ATOM 55 S SD . MET A 0 6 . -14.209 27.293 22.518 1.00 87.96 6 A 1 ATOM 56 C CE . MET A 0 6 . -14.664 25.905 23.594 1.00 87.96 6 A 1 ATOM 57 N N . LEU A 0 7 . -17.994 26.548 18.650 1.00 91.43 7 A 1 ATOM 58 C CA . LEU A 0 7 . -19.206 25.725 18.664 1.00 91.43 7 A 1 ATOM 59 C C . LEU A 0 7 . -19.378 24.927 17.363 1.00 91.43 7 A 1 ATOM 60 C CB . LEU A 0 7 . -20.403 26.640 18.973 1.00 91.43 7 A 1 ATOM 61 O O . LEU A 0 7 . -19.675 23.739 17.418 1.00 91.43 7 A 1 ATOM 62 C CG . LEU A 0 7 . -21.712 25.862 19.231 1.00 91.43 7 A 1 ATOM 63 C CD1 . LEU A 0 7 . -22.425 26.422 20.463 1.00 91.43 7 A 1 ATOM 64 C CD2 . LEU A 0 7 . -22.666 25.964 18.039 1.00 91.43 7 A 1 ATOM 65 N N . ILE A 0 8 . -19.107 25.544 16.206 1.00 90.53 8 A 1 ATOM 66 C CA . ILE A 0 8 . -19.098 24.853 14.905 1.00 90.53 8 A 1 ATOM 67 C C . ILE A 0 8 . -18.052 23.731 14.897 1.00 90.53 8 A 1 ATOM 68 C CB . ILE A 0 8 . -18.858 25.865 13.758 1.00 90.53 8 A 1 ATOM 69 O O . ILE A 0 8 . -18.338 22.631 14.433 1.00 90.53 8 A 1 ATOM 70 C CG1 . ILE A 0 8 . -20.069 26.816 13.611 1.00 90.53 8 A 1 ATOM 71 C CG2 . ILE A 0 8 . -18.605 25.147 12.416 1.00 90.53 8 A 1 ATOM 72 C CD1 . ILE A 0 8 . -19.774 28.057 12.758 1.00 90.53 8 A 1 ATOM 73 N N . MET A 0 9 . -16.859 23.977 15.450 1.00 88.37 9 A 1 ATOM 74 C CA . MET A 0 9 . -15.807 22.960 15.538 1.00 88.37 9 A 1 ATOM 75 C C . MET A 0 9 . -16.227 21.777 16.426 1.00 88.37 9 A 1 ATOM 76 C CB . MET A 0 9 . -14.514 23.624 16.032 1.00 88.37 9 A 1 ATOM 77 O O . MET A 0 9 . -16.038 20.627 16.043 1.00 88.37 9 A 1 ATOM 78 C CG . MET A 0 9 . -13.303 22.700 15.901 1.00 88.37 9 A 1 ATOM 79 S SD . MET A 0 9 . -11.762 23.452 16.487 1.00 88.37 9 A 1 ATOM 80 C CE . MET A 0 9 . -10.660 22.025 16.286 1.00 88.37 9 A 1 ATOM 81 N N . LEU A 0 10 . -16.856 22.046 17.574 1.00 89.21 10 A 1 ATOM 82 C CA . LEU A 0 10 . -17.393 21.014 18.470 1.00 89.21 10 A 1 ATOM 83 C C . LEU A 0 10 . -18.505 20.185 17.810 1.00 89.21 10 A 1 ATOM 84 C CB . LEU A 0 10 . -17.901 21.699 19.757 1.00 89.21 10 A 1 ATOM 85 O O . LEU A 0 10 . -18.571 18.970 18.009 1.00 89.21 10 A 1 ATOM 86 C CG . LEU A 0 10 . -17.116 21.272 21.006 1.00 89.21 10 A 1 ATOM 87 C CD1 . LEU A 0 10 . -17.333 22.286 22.129 1.00 89.21 10 A 1 ATOM 88 C CD2 . LEU A 0 10 . -17.561 19.890 21.491 1.00 89.21 10 A 1 ATOM 89 N N . PHE A 0 11 . -19.355 20.837 17.013 1.00 90.25 11 A 1 ATOM 90 C CA . PHE A 0 11 . -20.433 20.188 16.273 1.00 90.25 11 A 1 ATOM 91 C C . PHE A 0 11 . -19.901 19.294 15.148 1.00 90.25 11 A 1 ATOM 92 C CB . PHE A 0 11 . -21.388 21.262 15.741 1.00 90.25 11 A 1 ATOM 93 O O . PHE A 0 11 . -20.347 18.159 15.014 1.00 90.25 11 A 1 ATOM 94 C CG . PHE A 0 11 . -22.672 20.692 15.177 1.00 90.25 11 A 1 ATOM 95 C CD1 . PHE A 0 11 . -22.897 20.668 13.788 1.00 90.25 11 A 1 ATOM 96 C CD2 . PHE A 0 11 . -23.649 20.183 16.053 1.00 90.25 11 A 1 ATOM 97 C CE1 . PHE A 0 11 . -24.104 20.155 13.282 1.00 90.25 11 A 1 ATOM 98 C CE2 . PHE A 0 11 . -24.845 19.648 15.543 1.00 90.25 11 A 1 ATOM 99 C CZ . PHE A 0 11 . -25.072 19.633 14.157 1.00 90.25 11 A 1 ATOM 100 N N . ALA A 0 12 . -18.894 19.751 14.396 1.00 86.76 12 A 1 ATOM 101 C CA . ALA A 0 12 . -18.241 18.939 13.370 1.00 86.76 12 A 1 ATOM 102 C C . ALA A 0 12 . -17.631 17.657 13.963 1.00 86.76 12 A 1 ATOM 103 C CB . ALA A 0 12 . -17.187 19.797 12.661 1.00 86.76 12 A 1 ATOM 104 O O . ALA A 0 12 . -17.846 16.574 13.427 1.00 86.76 12 A 1 ATOM 105 N N . VAL A 0 13 . -16.954 17.758 15.114 1.00 86.47 13 A 1 ATOM 106 C CA . VAL A 0 13 . -16.419 16.583 15.824 1.00 86.47 13 A 1 ATOM 107 C C . VAL A 0 13 . -17.545 15.637 16.256 1.00 86.47 13 A 1 ATOM 108 C CB . VAL A 0 13 . -15.547 17.009 17.021 1.00 86.47 13 A 1 ATOM 109 O O . VAL A 0 13 . -17.446 14.433 16.027 1.00 86.47 13 A 1 ATOM 110 C CG1 . VAL A 0 13 . -15.067 15.810 17.849 1.00 86.47 13 A 1 ATOM 111 C CG2 . VAL A 0 13 . -14.293 17.758 16.546 1.00 86.47 13 A 1 ATOM 112 N N . HIS A 0 14 . -18.650 16.155 16.802 1.00 82.76 14 A 1 ATOM 113 C CA . HIS A 0 14 . -19.807 15.319 17.152 1.00 82.76 14 A 1 ATOM 114 C C . HIS A 0 14 . -20.380 14.570 15.943 1.00 82.76 14 A 1 ATOM 115 C CB . HIS A 0 14 . -20.900 16.160 17.826 1.00 82.76 14 A 1 ATOM 116 O O . HIS A 0 14 . -20.632 13.371 16.041 1.00 82.76 14 A 1 ATOM 117 C CG . HIS A 0 14 . -20.726 16.239 19.316 1.00 82.76 14 A 1 ATOM 118 C CD2 . HIS A 0 14 . -21.445 15.552 20.256 1.00 82.76 14 A 1 ATOM 119 N ND1 . HIS A 0 14 . -19.777 16.977 19.980 1.00 82.76 14 A 1 ATOM 120 C CE1 . HIS A 0 14 . -19.917 16.737 21.295 1.00 82.76 14 A 1 ATOM 121 N NE2 . HIS A 0 14 . -20.929 15.883 21.513 1.00 82.76 14 A 1 ATOM 122 N N . LEU A 0 15 . -20.532 15.239 14.795 1.00 84.89 15 A 1 ATOM 123 C CA . LEU A 0 15 . -21.021 14.599 13.571 1.00 84.89 15 A 1 ATOM 124 C C . LEU A 0 15 . -20.082 13.489 13.082 1.00 84.89 15 A 1 ATOM 125 C CB . LEU A 0 15 . -21.227 15.651 12.470 1.00 84.89 15 A 1 ATOM 126 O O . LEU A 0 15 . -20.562 12.430 12.687 1.00 84.89 15 A 1 ATOM 127 C CG . LEU A 0 15 . -22.396 16.627 12.695 1.00 84.89 15 A 1 ATOM 128 C CD1 . LEU A 0 15 . -22.424 17.603 11.517 1.00 84.89 15 A 1 ATOM 129 C CD2 . LEU A 0 15 . -23.752 15.924 12.774 1.00 84.89 15 A 1 ATOM 130 N N . THR A 0 16 . -18.761 13.683 13.162 1.00 81.49 16 A 1 ATOM 131 C CA . THR A 0 16 . -17.799 12.638 12.760 1.00 81.49 16 A 1 ATOM 132 C C . THR A 0 16 . -17.875 11.390 13.639 1.00 81.49 16 A 1 ATOM 133 C CB . THR A 0 16 . -16.350 13.144 12.731 1.00 81.49 16 A 1 ATOM 134 O O . THR A 0 16 . -17.736 10.278 13.136 1.00 81.49 16 A 1 ATOM 135 C CG2 . THR A 0 16 . -16.134 14.224 11.674 1.00 81.49 16 A 1 ATOM 136 O OG1 . THR A 0 16 . -15.898 13.653 13.968 1.00 81.49 16 A 1 ATOM 137 N N . ILE A 0 17 . -18.151 11.549 14.939 1.00 81.55 17 A 1 ATOM 138 C CA . ILE A 0 17 . -18.324 10.415 15.856 1.00 81.55 17 A 1 ATOM 139 C C . ILE A 0 17 . -19.608 9.651 15.516 1.00 81.55 17 A 1 ATOM 140 C CB . ILE A 0 17 . -18.301 10.892 17.326 1.00 81.55 17 A 1 ATOM 141 O O . ILE A 0 17 . -19.588 8.424 15.480 1.00 81.55 17 A 1 ATOM 142 C CG1 . ILE A 0 17 . -16.916 11.480 17.684 1.00 81.55 17 A 1 ATOM 143 C CG2 . ILE A 0 17 . -18.638 9.732 18.286 1.00 81.55 17 A 1 ATOM 144 C CD1 . ILE A 0 17 . -16.901 12.267 19.001 1.00 81.55 17 A 1 ATOM 145 N N . ILE A 0 18 . -20.705 10.357 15.221 1.00 79.65 18 A 1 ATOM 146 C CA . ILE A 0 18 . -21.975 9.728 14.820 1.00 79.65 18 A 1 ATOM 147 C C . ILE A 0 18 . -21.786 8.924 13.528 1.00 79.65 18 A 1 ATOM 148 C CB . ILE A 0 18 . -23.096 10.786 14.697 1.00 79.65 18 A 1 ATOM 149 O O . ILE A 0 18 . -22.148 7.752 13.493 1.00 79.65 18 A 1 ATOM 150 C CG1 . ILE A 0 18 . -23.402 11.400 16.084 1.00 79.65 18 A 1 ATOM 151 C CG2 . ILE A 0 18 . -24.376 10.166 14.106 1.00 79.65 18 A 1 ATOM 152 C CD1 . ILE A 0 18 . -24.239 12.684 16.020 1.00 79.65 18 A 1 ATOM 153 N N . GLN A 0 19 . -21.130 9.499 12.516 1.00 73.68 19 A 1 ATOM 154 C CA . GLN A 0 19 . -20.829 8.804 11.258 1.00 73.68 19 A 1 ATOM 155 C C . GLN A 0 19 . -19.944 7.567 11.461 1.00 73.68 19 A 1 ATOM 156 C CB . GLN A 0 19 . -20.130 9.774 10.297 1.00 73.68 19 A 1 ATOM 157 O O . GLN A 0 19 . -20.149 6.547 10.807 1.00 73.68 19 A 1 ATOM 158 C CG . GLN A 0 19 . -21.097 10.822 9.735 1.00 73.68 19 A 1 ATOM 159 C CD . GLN A 0 19 . -20.406 11.836 8.831 1.00 73.68 19 A 1 ATOM 160 N NE2 . GLN A 0 19 . -21.162 12.581 8.055 1.00 73.68 19 A 1 ATOM 161 O OE1 . GLN A 0 19 . -19.197 12.001 8.798 1.00 73.68 19 A 1 ATOM 162 N N . PHE A 0 20 . -18.975 7.626 12.380 1.00 73.19 20 A 1 ATOM 163 C CA . PHE A 0 20 . -18.150 6.466 12.722 1.00 73.19 20 A 1 ATOM 164 C C . PHE A 0 20 . -18.974 5.352 13.382 1.00 73.19 20 A 1 ATOM 165 C CB . PHE A 0 20 . -16.995 6.911 13.626 1.00 73.19 20 A 1 ATOM 166 O O . PHE A 0 20 . -18.802 4.179 13.052 1.00 73.19 20 A 1 ATOM 167 C CG . PHE A 0 20 . -16.052 5.780 13.983 1.00 73.19 20 A 1 ATOM 168 C CD1 . PHE A 0 20 . -16.182 5.103 15.211 1.00 73.19 20 A 1 ATOM 169 C CD2 . PHE A 0 20 . -15.066 5.377 13.064 1.00 73.19 20 A 1 ATOM 170 C CE1 . PHE A 0 20 . -15.325 4.031 15.519 1.00 73.19 20 A 1 ATOM 171 C CE2 . PHE A 0 20 . -14.209 4.305 13.372 1.00 73.19 20 A 1 ATOM 172 C CZ . PHE A 0 20 . -14.338 3.633 14.600 1.00 73.19 20 A 1 ATOM 173 N N . VAL A 0 21 . -19.895 5.706 14.283 1.00 74.28 21 A 1 ATOM 174 C CA . VAL A 0 21 . -20.793 4.740 14.932 1.00 74.28 21 A 1 ATOM 175 C C . VAL A 0 21 . -21.773 4.135 13.925 1.00 74.28 21 A 1 ATOM 176 C CB . VAL A 0 21 . -21.521 5.381 16.129 1.00 74.28 21 A 1 ATOM 177 O O . VAL A 0 21 . -21.965 2.921 13.943 1.00 74.28 21 A 1 ATOM 178 C CG1 . VAL A 0 21 . -22.577 4.451 16.745 1.00 74.28 21 A 1 ATOM 179 C CG2 . VAL A 0 21 . -20.523 5.717 17.248 1.00 74.28 21 A 1 ATOM 180 N N . GLU A 0 22 . -22.348 4.935 13.025 1.00 68.09 22 A 1 ATOM 181 C CA . GLU A 0 22 . -23.227 4.450 11.951 1.00 68.09 22 A 1 ATOM 182 C C . GLU A 0 22 . -22.478 3.506 10.999 1.00 68.09 22 A 1 ATOM 183 C CB . GLU A 0 22 . -23.847 5.636 11.192 1.00 68.09 22 A 1 ATOM 184 O O . GLU A 0 22 . -22.945 2.397 10.756 1.00 68.09 22 A 1 ATOM 185 C CG . GLU A 0 22 . -24.954 6.323 12.013 1.00 68.09 22 A 1 ATOM 186 C CD . GLU A 0 22 . -25.569 7.557 11.328 1.00 68.09 22 A 1 ATOM 187 O OE1 . GLU A 0 22 . -26.532 8.108 11.911 1.00 68.09 22 A 1 ATOM 188 O OE2 . GLU A 0 22 . -25.064 7.980 10.261 1.00 68.09 22 A 1 ATOM 189 N N . SER A 0 23 . -21.266 3.867 10.565 1.00 63.22 23 A 1 ATOM 190 C CA . SER A 0 23 . -20.412 3.013 9.721 1.00 63.22 23 A 1 ATOM 191 C C . SER A 0 23 . -20.002 1.701 10.413 1.00 63.22 23 A 1 ATOM 192 C CB . SER A 0 23 . -19.179 3.825 9.317 1.00 63.22 23 A 1 ATOM 193 O O . SER A 0 23 . -20.039 0.616 9.820 1.00 63.22 23 A 1 ATOM 194 O OG . SER A 0 23 . -18.322 3.067 8.490 1.00 63.22 23 A 1 ATOM 195 N N . GLY A 0 24 . -19.671 1.759 11.708 1.00 59.75 24 A 1 ATOM 196 C CA . GLY A 0 24 . -19.394 0.568 12.515 1.00 59.75 24 A 1 ATOM 197 C C . GLY A 0 24 . -20.625 -0.328 12.703 1.00 59.75 24 A 1 ATOM 198 O O . GLY A 0 24 . -20.505 -1.556 12.700 1.00 59.75 24 A 1 ATOM 199 N N . CYS A 0 25 . -21.819 0.262 12.820 1.00 56.64 25 A 1 ATOM 200 C CA . CYS A 0 25 . -23.079 -0.482 12.866 1.00 56.64 25 A 1 ATOM 201 C C . CYS A 0 25 . -23.420 -1.128 11.516 1.00 56.64 25 A 1 ATOM 202 C CB . CYS A 0 25 . -24.217 0.431 13.341 1.00 56.64 25 A 1 ATOM 203 O O . CYS A 0 25 . -23.835 -2.290 11.502 1.00 56.64 25 A 1 ATOM 204 S SG . CYS A 0 25 . -24.013 0.815 15.104 1.00 56.64 25 A 1 ATOM 205 N N . ASP A 0 26 . -23.191 -0.434 10.399 1.00 54.87 26 A 1 ATOM 206 C CA . ASP A 0 26 . -23.378 -0.990 9.052 1.00 54.87 26 A 1 ATOM 207 C C . ASP A 0 26 . -22.433 -2.165 8.790 1.00 54.87 26 A 1 ATOM 208 C CB . ASP A 0 26 . -23.189 0.108 7.986 1.00 54.87 26 A 1 ATOM 209 O O . ASP A 0 26 . -22.844 -3.184 8.231 1.00 54.87 26 A 1 ATOM 210 C CG . ASP A 0 26 . -24.480 0.854 7.626 1.00 54.87 26 A 1 ATOM 211 O OD1 . ASP A 0 26 . -25.570 0.405 8.054 1.00 54.87 26 A 1 ATOM 212 O OD2 . ASP A 0 26 . -24.367 1.837 6.863 1.00 54.87 26 A 1 ATOM 213 N N . THR A 0 27 . -21.198 -2.096 9.295 1.00 54.83 27 A 1 ATOM 214 C CA . THR A 0 27 . -20.254 -3.221 9.212 1.00 54.83 27 A 1 ATOM 215 C C . THR A 0 27 . -20.794 -4.452 9.951 1.00 54.83 27 A 1 ATOM 216 C CB . THR A 0 27 . -18.873 -2.825 9.753 1.00 54.83 27 A 1 ATOM 217 O O . THR A 0 27 . -20.724 -5.567 9.430 1.00 54.83 27 A 1 ATOM 218 C CG2 . THR A 0 27 . -17.833 -3.921 9.516 1.00 54.83 27 A 1 ATOM 219 O OG1 . THR A 0 27 . -18.391 -1.674 9.095 1.00 54.83 27 A 1 ATOM 220 N N . ARG A 0 28 . -21.407 -4.264 11.131 1.00 55.40 28 A 1 ATOM 221 C CA . ARG A 0 28 . -21.957 -5.364 11.943 1.00 55.40 28 A 1 ATOM 222 C C . ARG A 0 28 . -23.237 -5.972 11.362 1.00 55.40 28 A 1 ATOM 223 C CB . ARG A 0 28 . -22.166 -4.867 13.382 1.00 55.40 28 A 1 ATOM 224 O O . ARG A 0 28 . -23.483 -7.158 11.567 1.00 55.40 28 A 1 ATOM 225 C CG . ARG A 0 28 . -22.438 -6.030 14.347 1.00 55.40 28 A 1 ATOM 226 C CD . ARG A 0 28 . -22.557 -5.523 15.785 1.00 55.40 28 A 1 ATOM 227 N NE . ARG A 0 28 . -22.743 -6.645 16.725 1.00 55.40 28 A 1 ATOM 228 N NH1 . ARG A 0 28 . -23.047 -5.392 18.619 1.00 55.40 28 A 1 ATOM 229 N NH2 . ARG A 0 28 . -23.067 -7.624 18.754 1.00 55.40 28 A 1 ATOM 230 C CZ . ARG A 0 28 . -22.952 -6.549 18.024 1.00 55.40 28 A 1 ATOM 231 N N . ASN A 0 29 . -24.051 -5.181 10.664 1.00 51.92 29 A 1 ATOM 232 C CA . ASN A 0 29 . -25.308 -5.638 10.062 1.00 51.92 29 A 1 ATOM 233 C C . ASN A 0 29 . -25.190 -6.024 8.589 1.00 51.92 29 A 1 ATOM 234 C CB . ASN A 0 29 . -26.407 -4.592 10.296 1.00 51.92 29 A 1 ATOM 235 O O . ASN A 0 29 . -26.198 -6.426 7.996 1.00 51.92 29 A 1 ATOM 236 C CG . ASN A 0 29 . -27.131 -4.773 11.614 1.00 51.92 29 A 1 ATOM 237 N ND2 . ASN A 0 29 . -27.746 -3.722 12.098 1.00 51.92 29 A 1 ATOM 238 O OD1 . ASN A 0 29 . -27.204 -5.839 12.207 1.00 51.92 29 A 1 ATOM 239 N N . SER A 0 30 . -23.994 -5.971 7.996 1.00 51.74 30 A 1 ATOM 240 C CA . SER A 0 30 . -23.788 -6.578 6.691 1.00 51.74 30 A 1 ATOM 241 C C . SER A 0 30 . -23.984 -8.096 6.816 1.00 51.74 30 A 1 ATOM 242 C CB . SER A 0 30 . -22.479 -6.115 6.027 1.00 51.74 30 A 1 ATOM 243 O O . SER A 0 30 . -23.080 -8.872 7.106 1.00 51.74 30 A 1 ATOM 244 O OG . SER A 0 30 . -21.313 -6.748 6.504 1.00 51.74 30 A 1 ATOM 245 N N . LYS A 0 31 . -25.215 -8.555 6.562 1.00 49.27 31 A 1 ATOM 246 C CA . LYS A 0 31 . -25.523 -9.940 6.179 1.00 49.27 31 A 1 ATOM 247 C C . LYS A 0 31 . -24.966 -10.208 4.781 1.00 49.27 31 A 1 ATOM 248 C CB . LYS A 0 31 . -27.035 -10.211 6.217 1.00 49.27 31 A 1 ATOM 249 O O . LYS A 0 31 . -25.680 -10.698 3.910 1.00 49.27 31 A 1 ATOM 250 C CG . LYS A 0 31 . -27.656 -10.186 7.613 1.00 49.27 31 A 1 ATOM 251 C CD . LYS A 0 31 . -29.090 -10.719 7.497 1.00 49.27 31 A 1 ATOM 252 C CE . LYS A 0 31 . -29.766 -10.730 8.868 1.00 49.27 31 A 1 ATOM 253 N NZ . LYS A 0 31 . -31.093 -11.388 8.797 1.00 49.27 31 A 1 ATOM 254 N N . ASN A 0 32 . -23.724 -9.810 4.534 1.00 49.52 32 A 1 ATOM 255 C CA . ASN A 0 32 . -23.021 -10.141 3.323 1.00 49.52 32 A 1 ATOM 256 C C . ASN A 0 32 . -22.304 -11.469 3.596 1.00 49.52 32 A 1 ATOM 257 C CB . ASN A 0 32 . -22.095 -8.982 2.926 1.00 49.52 32 A 1 ATOM 258 O O . ASN A 0 32 . -21.251 -11.456 4.231 1.00 49.52 32 A 1 ATOM 259 C CG . ASN A 0 32 . -21.559 -9.177 1.520 1.00 49.52 32 A 1 ATOM 260 N ND2 . ASN A 0 32 . -21.035 -8.139 0.915 1.00 49.52 32 A 1 ATOM 261 O OD1 . ASN A 0 32 . -21.627 -10.251 0.938 1.00 49.52 32 A 1 ATOM 262 N N . PRO A 0 33 . -22.844 -12.617 3.145 1.00 52.88 33 A 1 ATOM 263 C CA . PRO A 0 33 . -22.196 -13.916 3.331 1.00 52.88 33 A 1 ATOM 264 C C . PRO A 0 33 . -20.830 -14.018 2.628 1.00 52.88 33 A 1 ATOM 265 C CB . PRO A 0 33 . -23.200 -14.943 2.792 1.00 52.88 33 A 1 ATOM 266 O O . PRO A 0 33 . -20.162 -15.037 2.754 1.00 52.88 33 A 1 ATOM 267 C CG . PRO A 0 33 . -23.971 -14.160 1.733 1.00 52.88 33 A 1 ATOM 268 C CD . PRO A 0 33 . -24.059 -12.775 2.356 1.00 52.88 33 A 1 ATOM 269 N N . THR A 0 34 . -20.409 -12.985 1.891 1.00 52.68 34 A 1 ATOM 270 C CA . THR A 0 34 . -19.100 -12.919 1.230 1.00 52.68 34 A 1 ATOM 271 C C . THR A 0 34 . -17.986 -12.446 2.164 1.00 52.68 34 A 1 ATOM 272 C CB . THR A 0 34 . -19.146 -12.001 -0.002 1.00 52.68 34 A 1 ATOM 273 O O . THR A 0 34 . -16.814 -12.675 1.873 1.00 52.68 34 A 1 ATOM 274 C CG2 . THR A 0 34 . -18.077 -12.356 -1.032 1.00 52.68 34 A 1 ATOM 275 O OG1 . THR A 0 34 . -20.391 -12.084 -0.662 1.00 52.68 34 A 1 ATOM 276 N N . VAL A 0 35 . -18.311 -11.811 3.297 1.00 52.31 35 A 1 ATOM 277 C CA . VAL A 0 35 . -17.305 -11.554 4.332 1.00 52.31 35 A 1 ATOM 278 C C . VAL A 0 35 . -17.170 -12.843 5.123 1.00 52.31 35 A 1 ATOM 279 C CB . VAL A 0 35 . -17.620 -10.332 5.216 1.00 52.31 35 A 1 ATOM 280 O O . VAL A 0 35 . -17.818 -13.033 6.149 1.00 52.31 35 A 1 ATOM 281 C CG1 . VAL A 0 35 . -16.422 -10.013 6.125 1.00 52.31 35 A 1 ATOM 282 C CG2 . VAL A 0 35 . -17.897 -9.087 4.361 1.00 52.31 35 A 1 ATOM 283 N N . THR A 0 36 . -16.368 -13.771 4.603 1.00 50.72 36 A 1 ATOM 284 C CA . THR A 0 36 . -15.863 -14.888 5.393 1.00 50.72 36 A 1 ATOM 285 C C . THR A 0 36 . -15.291 -14.279 6.663 1.00 50.72 36 A 1 ATOM 286 C CB . THR A 0 36 . -14.763 -15.655 4.640 1.00 50.72 36 A 1 ATOM 287 O O . THR A 0 36 . -14.287 -13.569 6.610 1.00 50.72 36 A 1 ATOM 288 C CG2 . THR A 0 36 . -14.406 -16.977 5.322 1.00 50.72 36 A 1 ATOM 289 O OG1 . THR A 0 36 . -15.202 -15.973 3.341 1.00 50.72 36 A 1 ATOM 290 N N . GLU A 0 37 . -15.960 -14.494 7.793 1.00 52.10 37 A 1 ATOM 291 C CA . GLU A 0 37 . -15.393 -14.213 9.100 1.00 52.10 37 A 1 ATOM 292 C C . GLU A 0 37 . -14.090 -15.007 9.161 1.00 52.10 37 A 1 ATOM 293 C CB . GLU A 0 37 . -16.355 -14.642 10.221 1.00 52.10 37 A 1 ATOM 294 O O . GLU A 0 37 . -14.093 -16.226 9.357 1.00 52.10 37 A 1 ATOM 295 C CG . GLU A 0 37 . -17.648 -13.811 10.290 1.00 52.10 37 A 1 ATOM 296 C CD . GLU A 0 37 . -18.575 -14.245 11.445 1.00 52.10 37 A 1 ATOM 297 O OE1 . GLU A 0 37 . -19.621 -13.583 11.631 1.00 52.10 37 A 1 ATOM 298 O OE2 . GLU A 0 37 . -18.249 -15.237 12.145 1.00 52.10 37 A 1 ATOM 299 N N . VAL A 0 38 . -12.964 -14.339 8.903 1.00 51.67 38 A 1 ATOM 300 C CA . VAL A 0 38 . -11.646 -14.914 9.130 1.00 51.67 38 A 1 ATOM 301 C C . VAL A 0 38 . -11.563 -15.062 10.637 1.00 51.67 38 A 1 ATOM 302 C CB . VAL A 0 38 . -10.507 -14.057 8.544 1.00 51.67 38 A 1 ATOM 303 O O . VAL A 0 38 . -11.195 -14.138 11.361 1.00 51.67 38 A 1 ATOM 304 C CG1 . VAL A 0 38 . -9.137 -14.682 8.846 1.00 51.67 38 A 1 ATOM 305 C CG2 . VAL A 0 38 . -10.637 -13.939 7.019 1.00 51.67 38 A 1 ATOM 306 N N . LYS A 0 39 . -11.998 -16.220 11.134 1.00 49.30 39 A 1 ATOM 307 C CA . LYS A 0 39 . -11.727 -16.629 12.500 1.00 49.30 39 A 1 ATOM 308 C C . LYS A 0 39 . -10.214 -16.556 12.653 1.00 49.30 39 A 1 ATOM 309 C CB . LYS A 0 39 . -12.252 -18.052 12.765 1.00 49.30 39 A 1 ATOM 310 O O . LYS A 0 39 . -9.504 -17.405 12.124 1.00 49.30 39 A 1 ATOM 311 C CG . LYS A 0 39 . -13.771 -18.097 12.982 1.00 49.30 39 A 1 ATOM 312 C CD . LYS A 0 39 . -14.214 -19.527 13.326 1.00 49.30 39 A 1 ATOM 313 C CE . LYS A 0 39 . -15.720 -19.550 13.612 1.00 49.30 39 A 1 ATOM 314 N NZ . LYS A 0 39 . -16.185 -20.923 13.929 1.00 49.30 39 A 1 ATOM 315 N N . LEU A 0 40 . -9.736 -15.589 13.431 1.00 52.50 40 A 1 ATOM 316 C CA . LEU A 0 40 . -8.385 -15.541 14.009 1.00 52.50 40 A 1 ATOM 317 C C . LEU A 0 40 . -8.166 -16.704 15.009 1.00 52.50 40 A 1 ATOM 318 C CB . LEU A 0 40 . -8.195 -14.154 14.665 1.00 52.50 40 A 1 ATOM 319 O O . LEU A 0 40 . -7.526 -16.542 16.040 1.00 52.50 40 A 1 ATOM 320 C CG . LEU A 0 40 . -7.907 -13.024 13.658 1.00 52.50 40 A 1 ATOM 321 C CD1 . LEU A 0 40 . -8.704 -11.767 14.006 1.00 52.50 40 A 1 ATOM 322 C CD2 . LEU A 0 40 . -6.418 -12.666 13.669 1.00 52.50 40 A 1 ATOM 323 N N . GLY A 0 41 . -8.781 -17.863 14.758 1.00 52.56 41 A 1 ATOM 324 C CA . GLY A 0 41 . -8.776 -19.029 15.632 1.00 52.56 41 A 1 ATOM 325 C C . GLY A 0 41 . -7.576 -19.937 15.415 1.00 52.56 41 A 1 ATOM 326 O O . GLY A 0 41 . -7.278 -20.732 16.297 1.00 52.56 41 A 1 ATOM 327 N N . ASN A 0 42 . -6.864 -19.788 14.299 1.00 57.76 42 A 1 ATOM 328 C CA . ASN A 0 42 . -5.597 -20.462 14.086 1.00 57.76 42 A 1 ATOM 329 C C . ASN A 0 42 . -4.552 -19.400 13.773 1.00 57.76 42 A 1 ATOM 330 C CB . ASN A 0 42 . -5.723 -21.527 12.987 1.00 57.76 42 A 1 ATOM 331 O O . ASN A 0 42 . -4.671 -18.659 12.798 1.00 57.76 42 A 1 ATOM 332 C CG . ASN A 0 42 . -6.426 -22.800 13.438 1.00 57.76 42 A 1 ATOM 333 N ND2 . ASN A 0 42 . -6.150 -23.905 12.790 1.00 57.76 42 A 1 ATOM 334 O OD1 . ASN A 0 42 . -7.243 -22.851 14.337 1.00 57.76 42 A 1 ATOM 335 N N . GLU A 0 43 . -3.542 -19.339 14.629 1.00 59.05 43 A 1 ATOM 336 C CA . GLU A 0 43 . -2.246 -18.752 14.323 1.00 59.05 43 A 1 ATOM 337 C C . GLU A 0 43 . -1.854 -19.202 12.902 1.00 59.05 43 A 1 ATOM 338 C CB . GLU A 0 43 . -1.294 -19.282 15.410 1.00 59.05 43 A 1 ATOM 339 O O . GLU A 0 43 . -1.897 -20.408 12.629 1.00 59.05 43 A 1 ATOM 340 C CG . GLU A 0 43 . -0.115 -18.372 15.765 1.00 59.05 43 A 1 ATOM 341 C CD . GLU A 0 43 . 0.470 -18.722 17.150 1.00 59.05 43 A 1 ATOM 342 O OE1 . GLU A 0 43 . 1.171 -17.849 17.707 1.00 59.05 43 A 1 ATOM 343 O OE2 . GLU A 0 43 . 0.194 -19.832 17.665 1.00 59.05 43 A 1 ATOM 344 N N . PRO A 0 44 . -1.605 -18.280 11.954 1.00 58.90 44 A 1 ATOM 345 C CA . PRO A 0 44 . -1.272 -18.680 10.598 1.00 58.90 44 A 1 ATOM 346 C C . PRO A 0 44 . -0.010 -19.538 10.661 1.00 58.90 44 A 1 ATOM 347 C CB . PRO A 0 44 . -1.103 -17.384 9.797 1.00 58.90 44 A 1 ATOM 348 O O . PRO A 0 44 . 1.017 -19.103 11.179 1.00 58.90 44 A 1 ATOM 349 C CG . PRO A 0 44 . -0.807 -16.329 10.865 1.00 58.90 44 A 1 ATOM 350 C CD . PRO A 0 44 . -1.555 -16.836 12.097 1.00 58.90 44 A 1 ATOM 351 N N . ASP A 0 45 . -0.100 -20.772 10.166 1.00 65.08 45 A 1 ATOM 352 C CA . ASP A 0 45 . 1.067 -21.626 9.982 1.00 65.08 45 A 1 ATOM 353 C C . ASP A 0 45 . 1.947 -20.964 8.919 1.00 65.08 45 A 1 ATOM 354 C CB . ASP A 0 45 . 0.632 -23.052 9.603 1.00 65.08 45 A 1 ATOM 355 O O . ASP A 0 45 . 1.718 -21.100 7.716 1.00 65.08 45 A 1 ATOM 356 C CG . ASP A 0 45 . 1.801 -24.035 9.429 1.00 65.08 45 A 1 ATOM 357 O OD1 . ASP A 0 45 . 2.969 -23.658 9.704 1.00 65.08 45 A 1 ATOM 358 O OD2 . ASP A 0 45 . 1.507 -25.182 9.017 1.00 65.08 45 A 1 ATOM 359 N N . TRP A 0 46 . 2.933 -20.189 9.370 1.00 63.12 46 A 1 ATOM 360 C CA . TRP A 0 46 . 3.869 -19.469 8.508 1.00 63.12 46 A 1 ATOM 361 C C . TRP A 0 46 . 4.640 -20.405 7.564 1.00 63.12 46 A 1 ATOM 362 C CB . TRP A 0 46 . 4.822 -18.642 9.384 1.00 63.12 46 A 1 ATOM 363 O O . TRP A 0 46 . 5.194 -19.932 6.576 1.00 63.12 46 A 1 ATOM 364 C CG . TRP A 0 46 . 4.175 -17.530 10.159 1.00 63.12 46 A 1 ATOM 365 C CD1 . TRP A 0 46 . 3.748 -17.594 11.441 1.00 63.12 46 A 1 ATOM 366 C CD2 . TRP A 0 46 . 3.833 -16.186 9.700 1.00 63.12 46 A 1 ATOM 367 C CE2 . TRP A 0 46 . 3.184 -15.491 10.763 1.00 63.12 46 A 1 ATOM 368 C CE3 . TRP A 0 46 . 4.000 -15.489 8.485 1.00 63.12 46 A 1 ATOM 369 N NE1 . TRP A 0 46 . 3.168 -16.395 11.804 1.00 63.12 46 A 1 ATOM 370 C CH2 . TRP A 0 46 . 2.878 -13.518 9.395 1.00 63.12 46 A 1 ATOM 371 C CZ2 . TRP A 0 46 . 2.710 -14.178 10.625 1.00 63.12 46 A 1 ATOM 372 C CZ3 . TRP A 0 46 . 3.522 -14.173 8.330 1.00 63.12 46 A 1 ATOM 373 N N . ASN A 0 47 . 4.634 -21.723 7.811 1.00 71.39 47 A 1 ATOM 374 C CA . ASN A 0 47 . 5.234 -22.717 6.920 1.00 71.39 47 A 1 ATOM 375 C C . ASN A 0 47 . 4.335 -23.098 5.731 1.00 71.39 47 A 1 ATOM 376 C CB . ASN A 0 47 . 5.587 -23.976 7.721 1.00 71.39 47 A 1 ATOM 377 O O . ASN A 0 47 . 4.824 -23.702 4.779 1.00 71.39 47 A 1 ATOM 378 C CG . ASN A 0 47 . 6.407 -23.690 8.959 1.00 71.39 47 A 1 ATOM 379 N ND2 . ASN A 0 47 . 5.918 -24.098 10.103 1.00 71.39 47 A 1 ATOM 380 O OD1 . ASN A 0 47 . 7.470 -23.092 8.924 1.00 71.39 47 A 1 ATOM 381 N N . GLN A 0 48 . 3.036 -22.780 5.774 1.00 65.65 48 A 1 ATOM 382 C CA . GLN A 0 48 . 2.094 -23.052 4.680 1.00 65.65 48 A 1 ATOM 383 C C . GLN A 0 48 . 1.950 -21.898 3.693 1.00 65.65 48 A 1 ATOM 384 C CB . GLN A 0 48 . 0.714 -23.427 5.233 1.00 65.65 48 A 1 ATOM 385 O O . GLN A 0 48 . 1.351 -22.094 2.637 1.00 65.65 48 A 1 ATOM 386 C CG . GLN A 0 48 . 0.697 -24.880 5.699 1.00 65.65 48 A 1 ATOM 387 C CD . GLN A 0 48 . -0.667 -25.289 6.234 1.00 65.65 48 A 1 ATOM 388 N NE2 . GLN A 0 48 . -0.699 -26.000 7.334 1.00 65.65 48 A 1 ATOM 389 O OE1 . GLN A 0 48 . -1.719 -24.988 5.687 1.00 65.65 48 A 1 ATOM 390 N N . ILE A 0 49 . 2.481 -20.711 3.998 1.00 60.86 49 A 1 ATOM 391 C CA . ILE A 0 49 . 2.508 -19.619 3.025 1.00 60.86 49 A 1 ATOM 392 C C . ILE A 0 49 . 3.477 -20.051 1.920 1.00 60.86 49 A 1 ATOM 393 C CB . ILE A 0 49 . 2.916 -18.273 3.660 1.00 60.86 49 A 1 ATOM 394 O O . ILE A 0 49 . 4.664 -20.219 2.212 1.00 60.86 49 A 1 ATOM 395 C CG1 . ILE A 0 49 . 2.022 -17.956 4.882 1.00 60.86 49 A 1 ATOM 396 C CG2 . ILE A 0 49 . 2.816 -17.161 2.594 1.00 60.86 49 A 1 ATOM 397 C CD1 . ILE A 0 49 . 2.383 -16.647 5.589 1.00 60.86 49 A 1 ATOM 398 N N . PRO A 0 50 . 3.025 -20.250 0.667 1.00 59.51 50 A 1 ATOM 399 C CA . PRO A 0 50 . 3.940 -20.534 -0.422 1.00 59.51 50 A 1 ATOM 400 C C . PRO A 0 50 . 4.904 -19.353 -0.519 1.00 59.51 50 A 1 ATOM 401 C CB . PRO A 0 50 . 3.083 -20.720 -1.683 1.00 59.51 50 A 1 ATOM 402 O O . PRO A 0 50 . 4.507 -18.237 -0.862 1.00 59.51 50 A 1 ATOM 403 C CG . PRO A 0 50 . 1.666 -20.917 -1.146 1.00 59.51 50 A 1 ATOM 404 C CD . PRO A 0 50 . 1.668 -20.135 0.162 1.00 59.51 50 A 1 ATOM 405 N N . ILE A 0 51 . 6.168 -19.582 -0.164 1.00 56.30 51 A 1 ATOM 406 C CA . ILE A 0 51 . 7.243 -18.626 -0.407 1.00 56.30 51 A 1 ATOM 407 C C . ILE A 0 51 . 7.325 -18.509 -1.930 1.00 56.30 51 A 1 ATOM 408 C CB . ILE A 0 51 . 8.572 -19.103 0.226 1.00 56.30 51 A 1 ATOM 409 O O . ILE A 0 51 . 7.826 -19.413 -2.591 1.00 56.30 51 A 1 ATOM 410 C CG1 . ILE A 0 51 . 8.424 -19.322 1.752 1.00 56.30 51 A 1 ATOM 411 C CG2 . ILE A 0 51 . 9.682 -18.076 -0.072 1.00 56.30 51 A 1 ATOM 412 C CD1 . ILE A 0 51 . 9.669 -19.926 2.417 1.00 56.30 51 A 1 ATOM 413 N N . GLY A 0 52 . 6.744 -17.449 -2.487 1.00 58.69 52 A 1 ATOM 414 C CA . GLY A 0 52 . 6.635 -17.273 -3.934 1.00 58.69 52 A 1 ATOM 415 C C . GLY A 0 52 . 5.227 -17.037 -4.468 1.00 58.69 52 A 1 ATOM 416 O O . GLY A 0 52 . 5.051 -17.124 -5.679 1.00 58.69 52 A 1 ATOM 417 N N . VAL A 0 53 . 4.231 -16.705 -3.630 1.00 62.35 53 A 1 ATOM 418 C CA . VAL A 0 53 . 3.110 -15.906 -4.154 1.00 62.35 53 A 1 ATOM 419 C C . VAL A 0 53 . 3.739 -14.645 -4.727 1.00 62.35 53 A 1 ATOM 420 C CB . VAL A 0 53 . 2.037 -15.561 -3.103 1.00 62.35 53 A 1 ATOM 421 O O . VAL A 0 53 . 4.307 -13.847 -3.983 1.00 62.35 53 A 1 ATOM 422 C CG1 . VAL A 0 53 . 0.915 -14.699 -3.705 1.00 62.35 53 A 1 ATOM 423 C CG2 . VAL A 0 53 . 1.394 -16.841 -2.552 1.00 62.35 53 A 1 ATOM 424 N N . GLU A 0 54 . 3.717 -14.541 -6.052 1.00 63.07 54 A 1 ATOM 425 C CA . GLU A 0 54 . 4.050 -13.337 -6.790 1.00 63.07 54 A 1 ATOM 426 C C . GLU A 0 54 . 3.215 -12.217 -6.176 1.00 63.07 54 A 1 ATOM 427 C CB . GLU A 0 54 . 3.744 -13.595 -8.273 1.00 63.07 54 A 1 ATOM 428 O O . GLU A 0 54 . 1.998 -12.142 -6.351 1.00 63.07 54 A 1 ATOM 429 C CG . GLU A 0 54 . 4.151 -12.455 -9.218 1.00 63.07 54 A 1 ATOM 430 C CD . GLU A 0 54 . 3.874 -12.796 -10.697 1.00 63.07 54 A 1 ATOM 431 O OE1 . GLU A 0 54 . 4.290 -11.997 -11.563 1.00 63.07 54 A 1 ATOM 432 O OE2 . GLU A 0 54 . 3.280 -13.869 -10.968 1.00 63.07 54 A 1 ATOM 433 N N . VAL A 0 55 . 3.854 -11.424 -5.319 1.00 66.62 55 A 1 ATOM 434 C CA . VAL A 0 55 . 3.261 -10.192 -4.835 1.00 66.62 55 A 1 ATOM 435 C C . VAL A 0 55 . 3.237 -9.323 -6.073 1.00 66.62 55 A 1 ATOM 436 C CB . VAL A 0 55 . 4.074 -9.568 -3.683 1.00 66.62 55 A 1 ATOM 437 O O . VAL A 0 55 . 4.279 -8.811 -6.472 1.00 66.62 55 A 1 ATOM 438 C CG1 . VAL A 0 55 . 3.431 -8.263 -3.196 1.00 66.62 55 A 1 ATOM 439 C CG2 . VAL A 0 55 . 4.159 -10.520 -2.480 1.00 66.62 55 A 1 ATOM 440 N N . ASP A 0 56 . 2.075 -9.233 -6.716 1.00 69.77 56 A 1 ATOM 441 C CA . ASP A 0 56 . 1.810 -8.193 -7.699 1.00 69.77 56 A 1 ATOM 442 C C . ASP A 0 56 . 1.948 -6.863 -6.954 1.00 69.77 56 A 1 ATOM 443 C CB . ASP A 0 56 . 0.427 -8.393 -8.337 1.00 69.77 56 A 1 ATOM 444 O O . ASP A 0 56 . 1.022 -6.377 -6.303 1.00 69.77 56 A 1 ATOM 445 C CG . ASP A 0 56 . 0.077 -7.322 -9.381 1.00 69.77 56 A 1 ATOM 446 O OD1 . ASP A 0 56 . 0.911 -6.427 -9.668 1.00 69.77 56 A 1 ATOM 447 O OD2 . ASP A 0 56 . -1.069 -7.365 -9.883 1.00 69.77 56 A 1 ATOM 448 N N . ASP A 0 57 . 3.171 -6.340 -6.927 1.00 68.75 57 A 1 ATOM 449 C CA . ASP A 0 57 . 3.515 -5.149 -6.169 1.00 68.75 57 A 1 ATOM 450 C C . ASP A 0 57 . 3.136 -3.872 -6.927 1.00 68.75 57 A 1 ATOM 451 C CB . ASP A 0 57 . 4.973 -5.220 -5.668 1.00 68.75 57 A 1 ATOM 452 O O . ASP A 0 57 . 3.408 -2.770 -6.440 1.00 68.75 57 A 1 ATOM 453 C CG . ASP A 0 57 . 6.069 -5.019 -6.719 1.00 68.75 57 A 1 ATOM 454 O OD1 . ASP A 0 57 . 5.737 -4.842 -7.910 1.00 68.75 57 A 1 ATOM 455 O OD2 . ASP A 0 57 . 7.242 -4.926 -6.282 1.00 68.75 57 A 1 ATOM 456 N N . HIS A 0 58 . 2.482 -4.017 -8.091 1.00 79.16 58 A 1 ATOM 457 C CA . HIS A 0 58 . 2.112 -2.962 -9.033 1.00 79.16 58 A 1 ATOM 458 C C . HIS A 0 58 . 3.254 -1.983 -9.341 1.00 79.16 58 A 1 ATOM 459 C CB . HIS A 0 58 . 0.846 -2.237 -8.552 1.00 79.16 58 A 1 ATOM 460 O O . HIS A 0 58 . 3.014 -0.899 -9.890 1.00 79.16 58 A 1 ATOM 461 C CG . HIS A 0 58 . -0.387 -3.094 -8.415 1.00 79.16 58 A 1 ATOM 462 C CD2 . HIS A 0 58 . -1.420 -2.866 -7.549 1.00 79.16 58 A 1 ATOM 463 N ND1 . HIS A 0 58 . -0.730 -4.195 -9.167 1.00 79.16 58 A 1 ATOM 464 C CE1 . HIS A 0 58 . -1.940 -4.608 -8.760 1.00 79.16 58 A 1 ATOM 465 N NE2 . HIS A 0 58 . -2.418 -3.815 -7.784 1.00 79.16 58 A 1 ATOM 466 N N . ARG A 0 59 . 4.503 -2.306 -8.978 1.00 76.88 59 A 1 ATOM 467 C CA . ARG A 0 59 . 5.628 -1.428 -9.251 1.00 76.88 59 A 1 ATOM 468 C C . ARG A 0 59 . 5.905 -1.536 -10.742 1.00 76.88 59 A 1 ATOM 469 C CB . ARG A 0 59 . 6.855 -1.762 -8.397 1.00 76.88 59 A 1 ATOM 470 O O . ARG A 0 59 . 5.908 -2.638 -11.291 1.00 76.88 59 A 1 ATOM 471 C CG . ARG A 0 59 . 6.564 -1.498 -6.917 1.00 76.88 59 A 1 ATOM 472 C CD . ARG A 0 59 . 7.815 -1.694 -6.069 1.00 76.88 59 A 1 ATOM 473 N NE . ARG A 0 59 . 7.508 -1.493 -4.643 1.00 76.88 59 A 1 ATOM 474 N NH1 . ARG A 0 59 . 9.644 -1.764 -3.887 1.00 76.88 59 A 1 ATOM 475 N NH2 . ARG A 0 59 . 8.002 -1.324 -2.431 1.00 76.88 59 A 1 ATOM 476 C CZ . ARG A 0 59 . 8.382 -1.527 -3.662 1.00 76.88 59 A 1 ATOM 477 N N . PRO A 0 60 . 6.128 -0.407 -11.428 1.00 77.22 60 A 1 ATOM 478 C CA . PRO A 0 60 . 6.592 -0.456 -12.802 1.00 77.22 60 A 1 ATOM 479 C C . PRO A 0 60 . 7.842 -1.335 -12.877 1.00 77.22 60 A 1 ATOM 480 C CB . PRO A 0 60 . 6.873 0.997 -13.193 1.00 77.22 60 A 1 ATOM 481 O O . PRO A 0 60 . 8.737 -1.187 -12.041 1.00 77.22 60 A 1 ATOM 482 C CG . PRO A 0 60 . 6.027 1.813 -12.217 1.00 77.22 60 A 1 ATOM 483 C CD . PRO A 0 60 . 6.016 0.960 -10.955 1.00 77.22 60 A 1 ATOM 484 N N . ASN A 0 61 . 7.892 -2.244 -13.854 1.00 78.61 61 A 1 ATOM 485 C CA . ASN A 0 61 . 9.075 -3.065 -14.077 1.00 78.61 61 A 1 ATOM 486 C C . ASN A 0 61 . 10.276 -2.126 -14.304 1.00 78.61 61 A 1 ATOM 487 C CB . ASN A 0 61 . 8.841 -4.006 -15.277 1.00 78.61 61 A 1 ATOM 488 O O . ASN A 0 61 . 10.234 -1.349 -15.262 1.00 78.61 61 A 1 ATOM 489 C CG . ASN A 0 61 . 10.050 -4.879 -15.575 1.00 78.61 61 A 1 ATOM 490 N ND2 . ASN A 0 61 . 10.019 -5.658 -16.628 1.00 78.61 61 A 1 ATOM 491 O OD1 . ASN A 0 61 . 11.042 -4.877 -14.874 1.00 78.61 61 A 1 ATOM 492 N N . PRO A 0 62 . 11.328 -2.161 -13.464 1.00 76.72 62 A 1 ATOM 493 C CA . PRO A 0 62 . 12.511 -1.328 -13.675 1.00 76.72 62 A 1 ATOM 494 C C . PRO A 0 62 . 13.192 -1.612 -15.021 1.00 76.72 62 A 1 ATOM 495 C CB . PRO A 0 62 . 13.434 -1.632 -12.491 1.00 76.72 62 A 1 ATOM 496 O O . PRO A 0 62 . 13.843 -0.723 -15.564 1.00 76.72 62 A 1 ATOM 497 C CG . PRO A 0 62 . 13.009 -3.029 -12.039 1.00 76.72 62 A 1 ATOM 498 C CD . PRO A 0 62 . 11.511 -3.034 -12.313 1.00 76.72 62 A 1 ATOM 499 N N . ASP A 0 63 . 12.987 -2.808 -15.579 1.00 77.79 63 A 1 ATOM 500 C CA . ASP A 0 63 . 13.504 -3.220 -16.881 1.00 77.79 63 A 1 ATOM 501 C C . ASP A 0 63 . 12.558 -2.881 -18.048 1.00 77.79 63 A 1 ATOM 502 C CB . ASP A 0 63 . 13.829 -4.724 -16.863 1.00 77.79 63 A 1 ATOM 503 O O . ASP A 0 63 . 12.810 -3.317 -19.172 1.00 77.79 63 A 1 ATOM 504 C CG . ASP A 0 63 . 14.823 -5.124 -15.770 1.00 77.79 63 A 1 ATOM 505 O OD1 . ASP A 0 63 . 15.848 -4.422 -15.617 1.00 77.79 63 A 1 ATOM 506 O OD2 . ASP A 0 63 . 14.574 -6.166 -15.123 1.00 77.79 63 A 1 ATOM 507 N N . ASP A 0 64 . 11.462 -2.137 -17.832 1.00 80.30 64 A 1 ATOM 508 C CA . ASP A 0 64 . 10.630 -1.664 -18.945 1.00 80.30 64 A 1 ATOM 509 C C . ASP A 0 64 . 11.474 -0.734 -19.839 1.00 80.30 64 A 1 ATOM 510 C CB . ASP A 0 64 . 9.336 -0.973 -18.472 1.00 80.30 64 A 1 ATOM 511 O O . ASP A 0 64 . 11.838 0.364 -19.405 1.00 80.30 64 A 1 ATOM 512 C CG . ASP A 0 64 . 8.381 -0.596 -19.628 1.00 80.30 64 A 1 ATOM 513 O OD1 . ASP A 0 64 . 8.800 -0.594 -20.811 1.00 80.30 64 A 1 ATOM 514 O OD2 . ASP A 0 64 . 7.197 -0.296 -19.354 1.00 80.30 64 A 1 ATOM 515 N N . PRO A 0 65 . 11.753 -1.104 -21.107 1.00 78.19 65 A 1 ATOM 516 C CA . PRO A 0 65 . 12.557 -0.285 -22.009 1.00 78.19 65 A 1 ATOM 517 C C . PRO A 0 65 . 11.977 1.112 -22.235 1.00 78.19 65 A 1 ATOM 518 C CB . PRO A 0 65 . 12.622 -1.062 -23.328 1.00 78.19 65 A 1 ATOM 519 O O . PRO A 0 65 . 12.706 2.019 -22.623 1.00 78.19 65 A 1 ATOM 520 C CG . PRO A 0 65 . 12.330 -2.503 -22.922 1.00 78.19 65 A 1 ATOM 521 C CD . PRO A 0 65 . 11.351 -2.335 -21.771 1.00 78.19 65 A 1 ATOM 522 N N . ARG A 0 66 . 10.672 1.305 -21.991 1.00 79.97 66 A 1 ATOM 523 C CA . ARG A 0 66 . 10.006 2.614 -22.065 1.00 79.97 66 A 1 ATOM 524 C C . ARG A 0 66 . 10.415 3.556 -20.934 1.00 79.97 66 A 1 ATOM 525 C CB . ARG A 0 66 . 8.488 2.420 -22.005 1.00 79.97 66 A 1 ATOM 526 O O . ARG A 0 66 . 10.258 4.764 -21.083 1.00 79.97 66 A 1 ATOM 527 C CG . ARG A 0 66 . 7.940 1.554 -23.144 1.00 79.97 66 A 1 ATOM 528 C CD . ARG A 0 66 . 6.467 1.272 -22.861 1.00 79.97 66 A 1 ATOM 529 N NE . ARG A 0 66 . 5.866 0.443 -23.920 1.00 79.97 66 A 1 ATOM 530 N NH1 . ARG A 0 66 . 3.791 0.313 -22.970 1.00 79.97 66 A 1 ATOM 531 N NH2 . ARG A 0 66 . 4.202 -0.773 -24.882 1.00 79.97 66 A 1 ATOM 532 C CZ . ARG A 0 66 . 4.626 0.001 -23.922 1.00 79.97 66 A 1 ATOM 533 N N . LEU A 0 67 . 10.881 3.016 -19.807 1.00 78.33 67 A 1 ATOM 534 C CA . LEU A 0 67 . 11.387 3.785 -18.669 1.00 78.33 67 A 1 ATOM 535 C C . LEU A 0 67 . 12.891 4.044 -18.769 1.00 78.33 67 A 1 ATOM 536 C CB . LEU A 0 67 . 11.067 3.047 -17.358 1.00 78.33 67 A 1 ATOM 537 O O . LEU A 0 67 . 13.391 4.941 -18.090 1.00 78.33 67 A 1 ATOM 538 C CG . LEU A 0 67 . 9.572 2.834 -17.075 1.00 78.33 67 A 1 ATOM 539 C CD1 . LEU A 0 67 . 9.413 2.094 -15.749 1.00 78.33 67 A 1 ATOM 540 C CD2 . LEU A 0 67 . 8.799 4.153 -16.974 1.00 78.33 67 A 1 ATOM 541 N N . ILE A 0 68 . 13.608 3.283 -19.601 1.00 78.37 68 A 1 ATOM 542 C CA . ILE A 0 68 . 15.042 3.463 -19.815 1.00 78.37 68 A 1 ATOM 543 C C . ILE A 0 68 . 15.240 4.722 -20.673 1.00 78.37 68 A 1 ATOM 544 C CB . ILE A 0 68 . 15.695 2.210 -20.442 1.00 78.37 68 A 1 ATOM 545 O O . ILE A 0 68 . 14.769 4.763 -21.813 1.00 78.37 68 A 1 ATOM 546 C CG1 . ILE A 0 68 . 15.415 0.959 -19.575 1.00 78.37 68 A 1 ATOM 547 C CG2 . ILE A 0 68 . 17.214 2.430 -20.581 1.00 78.37 68 A 1 ATOM 548 C CD1 . ILE A 0 68 . 15.978 -0.350 -20.141 1.00 78.37 68 A 1 ATOM 549 N N . PRO A 0 69 . 15.930 5.760 -20.166 1.00 78.36 69 A 1 ATOM 550 C CA . PRO A 0 69 . 16.264 6.920 -20.976 1.00 78.36 69 A 1 ATOM 551 C C . PRO A 0 69 . 17.079 6.483 -22.200 1.00 78.36 69 A 1 ATOM 552 C CB . PRO A 0 69 . 17.069 7.860 -20.071 1.00 78.36 69 A 1 ATOM 553 O O . PRO A 0 69 . 17.945 5.612 -22.066 1.00 78.36 69 A 1 ATOM 554 C CG . PRO A 0 69 . 16.704 7.403 -18.659 1.00 78.36 69 A 1 ATOM 555 C CD . PRO A 0 69 . 16.469 5.907 -18.826 1.00 78.36 69 A 1 ATOM 556 N N . PRO A 0 70 . 16.848 7.074 -23.385 1.00 78.90 70 A 1 ATOM 557 C CA . PRO A 0 70 . 17.691 6.799 -24.536 1.00 78.90 70 A 1 ATOM 558 C C . PRO A 0 70 . 19.156 7.125 -24.197 1.00 78.90 70 A 1 ATOM 559 C CB . PRO A 0 70 . 17.142 7.659 -25.678 1.00 78.90 70 A 1 ATOM 560 O O . PRO A 0 70 . 19.413 8.035 -23.396 1.00 78.90 70 A 1 ATOM 561 C CG . PRO A 0 70 . 16.439 8.806 -24.952 1.00 78.90 70 A 1 ATOM 562 C CD . PRO A 0 70 . 15.919 8.153 -23.672 1.00 78.90 70 A 1 ATOM 563 N N . PRO A 0 71 . 20.127 6.402 -24.786 1.00 79.65 71 A 1 ATOM 564 C CA . PRO A 0 71 . 21.529 6.771 -24.677 1.00 79.65 71 A 1 ATOM 565 C C . PRO A 0 71 . 21.707 8.243 -25.063 1.00 79.65 71 A 1 ATOM 566 C CB . PRO A 0 71 . 22.292 5.854 -25.639 1.00 79.65 71 A 1 ATOM 567 O O . PRO A 0 71 . 21.001 8.710 -25.961 1.00 79.65 71 A 1 ATOM 568 C CG . PRO A 0 71 . 21.351 4.666 -25.830 1.00 79.65 71 A 1 ATOM 569 C CD . PRO A 0 71 . 19.961 5.280 -25.691 1.00 79.65 71 A 1 ATOM 570 N N . PRO A 0 72 . 22.628 8.978 -24.417 1.00 76.95 72 A 1 ATOM 571 C CA . PRO A 0 72 . 22.932 10.331 -24.848 1.00 76.95 72 A 1 ATOM 572 C C . PRO A 0 72 . 23.315 10.295 -26.328 1.00 76.95 72 A 1 ATOM 573 C CB . PRO A 0 72 . 24.070 10.814 -23.942 1.00 76.95 72 A 1 ATOM 574 O O . PRO A 0 72 . 24.183 9.514 -26.729 1.00 76.95 72 A 1 ATOM 575 C CG . PRO A 0 72 . 24.722 9.521 -23.448 1.00 76.95 72 A 1 ATOM 576 C CD . PRO A 0 72 . 23.562 8.529 -23.400 1.00 76.95 72 A 1 ATOM 577 N N . GLU A 0 73 . 22.650 11.122 -27.132 1.00 72.79 73 A 1 ATOM 578 C CA . GLU A 0 73 . 23.109 11.435 -28.478 1.00 72.79 73 A 1 ATOM 579 C C . GLU A 0 73 . 24.489 12.069 -28.311 1.00 72.79 73 A 1 ATOM 580 C CB . GLU A 0 73 . 22.115 12.364 -29.204 1.00 72.79 73 A 1 ATOM 581 O O . GLU A 0 73 . 24.628 13.195 -27.834 1.00 72.79 73 A 1 ATOM 582 C CG . GLU A 0 73 . 20.810 11.628 -29.561 1.00 72.79 73 A 1 ATOM 583 C CD . GLU A 0 73 . 19.749 12.501 -30.260 1.00 72.79 73 A 1 ATOM 584 O OE1 . GLU A 0 73 . 18.609 11.999 -30.406 1.00 72.79 73 A 1 ATOM 585 O OE2 . GLU A 0 73 . 20.054 13.650 -30.643 1.00 72.79 73 A 1 ATOM 586 N N . ILE A 0 74 . 25.537 11.296 -28.589 1.00 67.88 74 A 1 ATOM 587 C CA . ILE A 0 74 . 26.859 11.877 -28.739 1.00 67.88 74 A 1 ATOM 588 C C . ILE A 0 74 . 26.788 12.590 -30.079 1.00 67.88 74 A 1 ATOM 589 C CB . ILE A 0 74 . 27.988 10.826 -28.659 1.00 67.88 74 A 1 ATOM 590 O O . ILE A 0 74 . 26.836 11.926 -31.115 1.00 67.88 74 A 1 ATOM 591 C CG1 . ILE A 0 74 . 27.923 10.026 -27.335 1.00 67.88 74 A 1 ATOM 592 C CG2 . ILE A 0 74 . 29.326 11.574 -28.772 1.00 67.88 74 A 1 ATOM 593 C CD1 . ILE A 0 74 . 28.928 8.868 -27.230 1.00 67.88 74 A 1 ATOM 594 N N . ASP A 0 75 . 26.615 13.914 -30.049 1.00 62.49 75 A 1 ATOM 595 C CA . ASP A 0 75 . 26.859 14.766 -31.208 1.00 62.49 75 A 1 ATOM 596 C C . ASP A 0 75 . 28.247 14.393 -31.724 1.00 62.49 75 A 1 ATOM 597 C CB . ASP A 0 75 . 26.777 16.261 -30.847 1.00 62.49 75 A 1 ATOM 598 O O . ASP A 0 75 . 29.273 14.652 -31.089 1.00 62.49 75 A 1 ATOM 599 C CG . ASP A 0 75 . 25.354 16.834 -30.873 1.00 62.49 75 A 1 ATOM 600 O OD1 . ASP A 0 75 . 24.518 16.292 -31.629 1.00 62.49 75 A 1 ATOM 601 O OD2 . ASP A 0 75 . 25.138 17.853 -30.177 1.00 62.49 75 A 1 ATOM 602 N N . GLY A 0 76 . 28.246 13.634 -32.816 1.00 55.16 76 A 1 ATOM 603 C CA . GLY A 0 76 . 29.417 13.012 -33.400 1.00 55.16 76 A 1 ATOM 604 C C . GLY A 0 76 . 30.266 14.051 -34.105 1.00 55.16 76 A 1 ATOM 605 O O . GLY A 0 76 . 30.413 13.989 -35.317 1.00 55.16 76 A 1 ATOM 606 N N . ASP A 0 77 . 30.840 14.975 -33.345 1.00 58.07 77 A 1 ATOM 607 C CA . ASP A 0 77 . 31.947 15.823 -33.771 1.00 58.07 77 A 1 ATOM 608 C C . ASP A 0 77 . 33.259 15.207 -33.254 1.00 58.07 77 A 1 ATOM 609 C CB . ASP A 0 77 . 31.673 17.297 -33.388 1.00 58.07 77 A 1 ATOM 610 O O . ASP A 0 77 . 34.114 15.852 -32.651 1.00 58.07 77 A 1 ATOM 611 C CG . ASP A 0 77 . 31.858 18.304 -34.537 1.00 58.07 77 A 1 ATOM 612 O OD1 . ASP A 0 77 . 31.969 17.888 -35.714 1.00 58.07 77 A 1 ATOM 613 O OD2 . ASP A 0 77 . 31.870 19.518 -34.230 1.00 58.07 77 A 1 ATOM 614 N N . PHE A 0 78 . 33.411 13.892 -33.449 1.00 56.67 78 A 1 ATOM 615 C CA . PHE A 0 78 . 34.732 13.277 -33.418 1.00 56.67 78 A 1 ATOM 616 C C . PHE A 0 78 . 35.351 13.490 -34.799 1.00 56.67 78 A 1 ATOM 617 C CB . PHE A 0 78 . 34.667 11.797 -33.036 1.00 56.67 78 A 1 ATOM 618 O O . PHE A 0 78 . 34.801 12.984 -35.782 1.00 56.67 78 A 1 ATOM 619 C CG . PHE A 0 78 . 34.390 11.573 -31.564 1.00 56.67 78 A 1 ATOM 620 C CD1 . PHE A 0 78 . 35.381 11.862 -30.604 1.00 56.67 78 A 1 ATOM 621 C CD2 . PHE A 0 78 . 33.144 11.076 -31.152 1.00 56.67 78 A 1 ATOM 622 C CE1 . PHE A 0 78 . 35.120 11.666 -29.236 1.00 56.67 78 A 1 ATOM 623 C CE2 . PHE A 0 78 . 32.899 10.850 -29.789 1.00 56.67 78 A 1 ATOM 624 C CZ . PHE A 0 78 . 33.875 11.160 -28.827 1.00 56.67 78 A 1 ATOM 625 N N . PRO A 0 79 . 36.475 14.222 -34.912 1.00 53.24 79 A 1 ATOM 626 C CA . PRO A 0 79 . 37.147 14.394 -36.189 1.00 53.24 79 A 1 ATOM 627 C C . PRO A 0 79 . 37.484 13.017 -36.754 1.00 53.24 79 A 1 ATOM 628 C CB . PRO A 0 79 . 38.407 15.223 -35.910 1.00 53.24 79 A 1 ATOM 629 O O . PRO A 0 79 . 38.131 12.216 -36.077 1.00 53.24 79 A 1 ATOM 630 C CG . PRO A 0 79 . 38.131 15.876 -34.558 1.00 53.24 79 A 1 ATOM 631 C CD . PRO A 0 79 . 37.215 14.884 -33.853 1.00 53.24 79 A 1 ATOM 632 N N . ASN A 0 80 . 37.039 12.742 -37.980 1.00 59.00 80 A 1 ATOM 633 C CA . ASN A 0 80 . 37.439 11.543 -38.700 1.00 59.00 80 A 1 ATOM 634 C C . ASN A 0 80 . 38.979 11.550 -38.832 1.00 59.00 80 A 1 ATOM 635 C CB . ASN A 0 80 . 36.736 11.508 -40.075 1.00 59.00 80 A 1 ATOM 636 O O . ASN A 0 80 . 39.510 12.481 -39.448 1.00 59.00 80 A 1 ATOM 637 C CG . ASN A 0 80 . 37.036 10.215 -40.815 1.00 59.00 80 A 1 ATOM 638 N ND2 . ASN A 0 80 . 36.705 10.093 -42.077 1.00 59.00 80 A 1 ATOM 639 O OD1 . ASN A 0 80 . 37.587 9.288 -40.261 1.00 59.00 80 A 1 ATOM 640 N N . PRO A 0 81 . 39.711 10.571 -38.266 1.00 60.84 81 A 1 ATOM 641 C CA . PRO A 0 81 . 41.168 10.539 -38.349 1.00 60.84 81 A 1 ATOM 642 C C . PRO A 0 81 . 41.700 10.271 -39.766 1.00 60.84 81 A 1 ATOM 643 C CB . PRO A 0 81 . 41.615 9.484 -37.332 1.00 60.84 81 A 1 ATOM 644 O O . PRO A 0 81 . 42.908 10.316 -39.958 1.00 60.84 81 A 1 ATOM 645 C CG . PRO A 0 81 . 40.418 8.541 -37.247 1.00 60.84 81 A 1 ATOM 646 C CD . PRO A 0 81 . 39.225 9.468 -37.447 1.00 60.84 81 A 1 ATOM 647 N N . ASP A 0 82 . 40.844 10.048 -40.768 1.00 58.40 82 A 1 ATOM 648 C CA . ASP A 0 82 . 41.276 9.785 -42.149 1.00 58.40 82 A 1 ATOM 649 C C . ASP A 0 82 . 41.807 11.017 -42.904 1.00 58.40 82 A 1 ATOM 650 C CB . ASP A 0 82 . 40.142 9.126 -42.941 1.00 58.40 82 A 1 ATOM 651 O O . ASP A 0 82 . 42.270 10.886 -44.036 1.00 58.40 82 A 1 ATOM 652 C CG . ASP A 0 82 . 39.720 7.754 -42.412 1.00 58.40 82 A 1 ATOM 653 O OD1 . ASP A 0 82 . 40.523 7.098 -41.707 1.00 58.40 82 A 1 ATOM 654 O OD2 . ASP A 0 82 . 38.582 7.365 -42.764 1.00 58.40 82 A 1 ATOM 655 N N . ASN A 0 83 . 41.804 12.208 -42.299 1.00 49.73 83 A 1 ATOM 656 C CA . ASN A 0 83 . 42.560 13.344 -42.832 1.00 49.73 83 A 1 ATOM 657 C C . ASN A 0 83 . 44.005 13.316 -42.295 1.00 49.73 83 A 1 ATOM 658 C CB . ASN A 0 83 . 41.797 14.653 -42.568 1.00 49.73 83 A 1 ATOM 659 O O . ASN A 0 83 . 44.410 14.206 -41.543 1.00 49.73 83 A 1 ATOM 660 C CG . ASN A 0 83 . 40.533 14.810 -43.397 1.00 49.73 83 A 1 ATOM 661 N ND2 . ASN A 0 83 . 39.653 15.691 -42.984 1.00 49.73 83 A 1 ATOM 662 O OD1 . ASN A 0 83 . 40.306 14.205 -44.429 1.00 49.73 83 A 1 ATOM 663 N N . TYR A 0 84 . 44.748 12.266 -42.661 1.00 44.60 84 A 1 ATOM 664 C CA . TYR A 0 84 . 46.214 12.190 -42.581 1.00 44.60 84 A 1 ATOM 665 C C . TYR A 0 84 . 46.850 12.706 -43.874 1.00 44.60 84 A 1 ATOM 666 C CB . TYR A 0 84 . 46.672 10.753 -42.268 1.00 44.60 84 A 1 ATOM 667 O O . TYR A 0 84 . 46.389 12.297 -44.965 1.00 44.60 84 A 1 ATOM 668 C CG . TYR A 0 84 . 47.085 10.524 -40.827 1.00 44.60 84 A 1 ATOM 669 C CD1 . TYR A 0 84 . 48.367 10.916 -40.397 1.00 44.60 84 A 1 ATOM 670 C CD2 . TYR A 0 84 . 46.196 9.922 -39.921 1.00 44.60 84 A 1 ATOM 671 C CE1 . TYR A 0 84 . 48.763 10.702 -39.061 1.00 44.60 84 A 1 ATOM 672 C CE2 . TYR A 0 84 . 46.579 9.712 -38.582 1.00 44.60 84 A 1 ATOM 673 O OH . TYR A 0 84 . 48.240 9.902 -36.860 1.00 44.60 84 A 1 ATOM 674 C CZ . TYR A 0 84 . 47.863 10.101 -38.152 1.00 44.60 84 A 1 ATOM 675 O OXT . TYR A 0 84 . 47.824 13.478 -43.738 1.00 44.60 84 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 68.48 # loop_ _atom_type.symbol C N O S #