data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 LYS 0 3 PHE 0 4 LEU 0 5 LEU 0 6 GLY 0 7 LEU 0 8 SER 0 9 LEU 0 10 LEU 0 11 VAL 0 12 LEU 0 13 VAL 0 14 THR 0 15 LEU 0 16 VAL 0 17 CYS 0 18 VAL 0 19 GLU 0 20 ALA 0 21 THR 0 22 PRO 0 23 GLU 0 24 VAL 0 25 GLY 0 26 ASP 0 27 GLU 0 28 MET 0 29 LEU 0 30 LEU 0 31 LYS 0 32 ARG 0 33 MET 0 34 VAL 0 35 LEU 0 36 ASP 0 37 THR 0 38 ALA 0 39 ASP 0 40 LYS 0 41 LEU 0 42 LYS 0 43 MET 0 44 LEU 0 45 THR 0 46 LEU 0 47 LYS 0 48 HIS 0 49 ILE 0 50 ALA 0 51 ALA 0 52 CYS 0 53 ARG 0 54 ASN 0 55 LYS 0 56 VAL 0 57 GLN 0 58 THR 0 59 TYR 0 60 PHE 0 61 ARG 0 62 GLU 0 63 ASP 0 64 ASP 0 65 LEU 0 66 GLY 0 67 GLU 0 68 LYS 0 69 ILE 0 70 ALA 0 71 ASP 0 72 VAL 0 73 LEU 0 74 VAL 0 75 VAL 0 76 LEU 0 77 LEU 0 78 LYS 0 79 ARG 0 80 LEU 0 81 ASN 0 82 LYS 0 83 ARG 0 84 LEU 0 85 GLU 0 86 ASN 0 87 CYS 0 88 LEU 0 89 LYS 0 90 SER 0 91 SER 0 92 ASN 0 93 LEU 0 94 GLU # 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 . 4.538 -16.088 6.136 1.00 48.12 1 A 1 ATOM 2 C CA . MET A 0 1 . 5.721 -16.290 5.262 1.00 48.12 1 A 1 ATOM 3 C C . MET A 0 1 . 5.523 -15.779 3.833 1.00 48.12 1 A 1 ATOM 4 C CB . MET A 0 1 . 6.235 -17.732 5.308 1.00 48.12 1 A 1 ATOM 5 O O . MET A 0 1 . 6.413 -15.108 3.335 1.00 48.12 1 A 1 ATOM 6 C CG . MET A 0 1 . 6.628 -18.090 6.749 1.00 48.12 1 A 1 ATOM 7 S SD . MET A 0 1 . 7.798 -19.452 6.867 1.00 48.12 1 A 1 ATOM 8 C CE . MET A 0 1 . 7.988 -19.567 8.668 1.00 48.12 1 A 1 ATOM 9 N N . LYS A 0 2 . 4.360 -15.988 3.192 1.00 64.05 2 A 1 ATOM 10 C CA . LYS A 0 2 . 4.083 -15.502 1.819 1.00 64.05 2 A 1 ATOM 11 C C . LYS A 0 2 . 4.225 -13.976 1.632 1.00 64.05 2 A 1 ATOM 12 C CB . LYS A 0 2 . 2.688 -15.989 1.379 1.00 64.05 2 A 1 ATOM 13 O O . LYS A 0 2 . 4.718 -13.537 0.603 1.00 64.05 2 A 1 ATOM 14 C CG . LYS A 0 2 . 2.632 -17.521 1.216 1.00 64.05 2 A 1 ATOM 15 C CD . LYS A 0 2 . 1.219 -18.037 0.894 1.00 64.05 2 A 1 ATOM 16 C CE . LYS A 0 2 . 1.282 -19.541 0.578 1.00 64.05 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -0.061 -20.173 0.492 1.00 64.05 2 A 1 ATOM 18 N N . PHE A 0 3 . 3.865 -13.178 2.642 1.00 57.16 3 A 1 ATOM 19 C CA . PHE A 0 3 . 3.990 -11.712 2.595 1.00 57.16 3 A 1 ATOM 20 C C . PHE A 0 3 . 5.438 -11.205 2.568 1.00 57.16 3 A 1 ATOM 21 C CB . PHE A 0 3 . 3.235 -11.093 3.781 1.00 57.16 3 A 1 ATOM 22 O O . PHE A 0 3 . 5.725 -10.257 1.849 1.00 57.16 3 A 1 ATOM 23 C CG . PHE A 0 3 . 1.776 -10.824 3.482 1.00 57.16 3 A 1 ATOM 24 C CD1 . PHE A 0 3 . 1.421 -9.638 2.812 1.00 57.16 3 A 1 ATOM 25 C CD2 . PHE A 0 3 . 0.775 -11.741 3.857 1.00 57.16 3 A 1 ATOM 26 C CE1 . PHE A 0 3 . 0.074 -9.367 2.521 1.00 57.16 3 A 1 ATOM 27 C CE2 . PHE A 0 3 . -0.573 -11.470 3.563 1.00 57.16 3 A 1 ATOM 28 C CZ . PHE A 0 3 . -0.923 -10.283 2.896 1.00 57.16 3 A 1 ATOM 29 N N . LEU A 0 4 . 6.353 -11.847 3.305 1.00 71.83 4 A 1 ATOM 30 C CA . LEU A 0 4 . 7.773 -11.468 3.312 1.00 71.83 4 A 1 ATOM 31 C C . LEU A 0 4 . 8.421 -11.726 1.948 1.00 71.83 4 A 1 ATOM 32 C CB . LEU A 0 4 . 8.516 -12.243 4.414 1.00 71.83 4 A 1 ATOM 33 O O . LEU A 0 4 . 9.178 -10.893 1.468 1.00 71.83 4 A 1 ATOM 34 C CG . LEU A 0 4 . 8.207 -11.761 5.842 1.00 71.83 4 A 1 ATOM 35 C CD1 . LEU A 0 4 . 8.720 -12.788 6.853 1.00 71.83 4 A 1 ATOM 36 C CD2 . LEU A 0 4 . 8.861 -10.413 6.144 1.00 71.83 4 A 1 ATOM 37 N N . LEU A 0 5 . 8.057 -12.839 1.303 1.00 68.68 5 A 1 ATOM 38 C CA . LEU A 0 5 . 8.457 -13.151 -0.071 1.00 68.68 5 A 1 ATOM 39 C C . LEU A 0 5 . 7.949 -12.098 -1.061 1.00 68.68 5 A 1 ATOM 40 C CB . LEU A 0 5 . 7.943 -14.560 -0.428 1.00 68.68 5 A 1 ATOM 41 O O . LEU A 0 5 . 8.724 -11.617 -1.877 1.00 68.68 5 A 1 ATOM 42 C CG . LEU A 0 5 . 9.060 -15.616 -0.363 1.00 68.68 5 A 1 ATOM 43 C CD1 . LEU A 0 5 . 8.471 -16.990 -0.049 1.00 68.68 5 A 1 ATOM 44 C CD2 . LEU A 0 5 . 9.808 -15.690 -1.694 1.00 68.68 5 A 1 ATOM 45 N N . GLY A 0 6 . 6.679 -11.692 -0.954 1.00 73.48 6 A 1 ATOM 46 C CA . GLY A 0 6 . 6.118 -10.634 -1.799 1.00 73.48 6 A 1 ATOM 47 C C . GLY A 0 6 . 6.808 -9.281 -1.605 1.00 73.48 6 A 1 ATOM 48 O O . GLY A 0 6 . 7.113 -8.605 -2.583 1.00 73.48 6 A 1 ATOM 49 N N . LEU A 0 7 . 7.107 -8.910 -0.355 1.00 73.40 7 A 1 ATOM 50 C CA . LEU A 0 7 . 7.816 -7.668 -0.040 1.00 73.40 7 A 1 ATOM 51 C C . LEU A 0 7 . 9.267 -7.702 -0.539 1.00 73.40 7 A 1 ATOM 52 C CB . LEU A 0 7 . 7.751 -7.426 1.479 1.00 73.40 7 A 1 ATOM 53 O O . LEU A 0 7 . 9.729 -6.739 -1.136 1.00 73.40 7 A 1 ATOM 54 C CG . LEU A 0 7 . 8.131 -5.989 1.884 1.00 73.40 7 A 1 ATOM 55 C CD1 . LEU A 0 7 . 7.022 -4.998 1.521 1.00 73.40 7 A 1 ATOM 56 C CD2 . LEU A 0 7 . 8.355 -5.924 3.394 1.00 73.40 7 A 1 ATOM 57 N N . SER A 0 8 . 9.964 -8.825 -0.348 1.00 72.18 8 A 1 ATOM 58 C CA . SER A 0 8 . 11.319 -9.042 -0.863 1.00 72.18 8 A 1 ATOM 59 C C . SER A 0 8 . 11.364 -8.951 -2.388 1.00 72.18 8 A 1 ATOM 60 C CB . SER A 0 8 . 11.830 -10.403 -0.384 1.00 72.18 8 A 1 ATOM 61 O O . SER A 0 8 . 12.252 -8.292 -2.922 1.00 72.18 8 A 1 ATOM 62 O OG . SER A 0 8 . 12.996 -10.809 -1.069 1.00 72.18 8 A 1 ATOM 63 N N . LEU A 0 9 . 10.389 -9.545 -3.084 1.00 76.12 9 A 1 ATOM 64 C CA . LEU A 0 9 . 10.296 -9.472 -4.540 1.00 76.12 9 A 1 ATOM 65 C C . LEU A 0 9 . 10.046 -8.033 -5.012 1.00 76.12 9 A 1 ATOM 66 C CB . LEU A 0 9 . 9.175 -10.406 -5.033 1.00 76.12 9 A 1 ATOM 67 O O . LEU A 0 9 . 10.674 -7.585 -5.963 1.00 76.12 9 A 1 ATOM 68 C CG . LEU A 0 9 . 9.485 -10.992 -6.422 1.00 76.12 9 A 1 ATOM 69 C CD1 . LEU A 0 9 . 10.146 -12.365 -6.274 1.00 76.12 9 A 1 ATOM 70 C CD2 . LEU A 0 9 . 8.209 -11.160 -7.243 1.00 76.12 9 A 1 ATOM 71 N N . LEU A 0 10 . 9.164 -7.299 -4.321 1.00 76.46 10 A 1 ATOM 72 C CA . LEU A 0 10 . 8.877 -5.896 -4.620 1.00 76.46 10 A 1 ATOM 73 C C . LEU A 0 10 . 10.132 -5.027 -4.475 1.00 76.46 10 A 1 ATOM 74 C CB . LEU A 0 10 . 7.743 -5.410 -3.699 1.00 76.46 10 A 1 ATOM 75 O O . LEU A 0 10 . 10.420 -4.237 -5.366 1.00 76.46 10 A 1 ATOM 76 C CG . LEU A 0 10 . 7.248 -3.986 -4.013 1.00 76.46 10 A 1 ATOM 77 C CD1 . LEU A 0 10 . 6.465 -3.938 -5.327 1.00 76.46 10 A 1 ATOM 78 C CD2 . LEU A 0 10 . 6.329 -3.507 -2.889 1.00 76.46 10 A 1 ATOM 79 N N . VAL A 0 11 . 10.897 -5.217 -3.393 1.00 76.23 11 A 1 ATOM 80 C CA . VAL A 0 11 . 12.166 -4.506 -3.165 1.00 76.23 11 A 1 ATOM 81 C C . VAL A 0 11 . 13.176 -4.829 -4.267 1.00 76.23 11 A 1 ATOM 82 C CB . VAL A 0 11 . 12.741 -4.819 -1.770 1.00 76.23 11 A 1 ATOM 83 O O . VAL A 0 11 . 13.802 -3.914 -4.797 1.00 76.23 11 A 1 ATOM 84 C CG1 . VAL A 0 11 . 14.146 -4.235 -1.564 1.00 76.23 11 A 1 ATOM 85 C CG2 . VAL A 0 11 . 11.851 -4.223 -0.670 1.00 76.23 11 A 1 ATOM 86 N N . LEU A 0 12 . 13.293 -6.102 -4.662 1.00 74.61 12 A 1 ATOM 87 C CA . LEU A 0 12 . 14.197 -6.524 -5.734 1.00 74.61 12 A 1 ATOM 88 C C . LEU A 0 12 . 13.833 -5.859 -7.069 1.00 74.61 12 A 1 ATOM 89 C CB . LEU A 0 12 . 14.164 -8.060 -5.868 1.00 74.61 12 A 1 ATOM 90 O O . LEU A 0 12 . 14.702 -5.328 -7.750 1.00 74.61 12 A 1 ATOM 91 C CG . LEU A 0 12 . 15.554 -8.647 -6.182 1.00 74.61 12 A 1 ATOM 92 C CD1 . LEU A 0 12 . 16.158 -9.263 -4.917 1.00 74.61 12 A 1 ATOM 93 C CD2 . LEU A 0 12 . 15.466 -9.734 -7.251 1.00 74.61 12 A 1 ATOM 94 N N . VAL A 0 13 . 12.539 -5.831 -7.408 1.00 75.23 13 A 1 ATOM 95 C CA . VAL A 0 13 . 12.036 -5.170 -8.621 1.00 75.23 13 A 1 ATOM 96 C C . VAL A 0 13 . 12.317 -3.671 -8.575 1.00 75.23 13 A 1 ATOM 97 C CB . VAL A 0 13 . 10.535 -5.457 -8.823 1.00 75.23 13 A 1 ATOM 98 O O . VAL A 0 13 . 12.798 -3.123 -9.561 1.00 75.23 13 A 1 ATOM 99 C CG1 . VAL A 0 13 . 9.920 -4.633 -9.963 1.00 75.23 13 A 1 ATOM 100 C CG2 . VAL A 0 13 . 10.308 -6.935 -9.172 1.00 75.23 13 A 1 ATOM 101 N N . THR A 0 14 . 12.090 -3.001 -7.440 1.00 71.79 14 A 1 ATOM 102 C CA . THR A 0 14 . 12.404 -1.568 -7.322 1.00 71.79 14 A 1 ATOM 103 C C . THR A 0 14 . 13.899 -1.284 -7.426 1.00 71.79 14 A 1 ATOM 104 C CB . THR A 0 14 . 11.851 -0.934 -6.039 1.00 71.79 14 A 1 ATOM 105 O O . THR A 0 14 . 14.263 -0.286 -8.033 1.00 71.79 14 A 1 ATOM 106 C CG2 . THR A 0 14 . 10.323 -0.877 -6.051 1.00 71.79 14 A 1 ATOM 107 O OG1 . THR A 0 14 . 12.226 -1.622 -4.868 1.00 71.79 14 A 1 ATOM 108 N N . LEU A 0 15 . 14.761 -2.159 -6.896 1.00 74.18 15 A 1 ATOM 109 C CA . LEU A 0 15 . 16.215 -2.008 -6.985 1.00 74.18 15 A 1 ATOM 110 C C . LEU A 0 15 . 16.688 -2.133 -8.441 1.00 74.18 15 A 1 ATOM 111 C CB . LEU A 0 15 . 16.888 -3.065 -6.089 1.00 74.18 15 A 1 ATOM 112 O O . LEU A 0 15 . 17.392 -1.262 -8.940 1.00 74.18 15 A 1 ATOM 113 C CG . LEU A 0 15 . 18.319 -2.663 -5.687 1.00 74.18 15 A 1 ATOM 114 C CD1 . LEU A 0 15 . 18.290 -1.855 -4.385 1.00 74.18 15 A 1 ATOM 115 C CD2 . LEU A 0 15 . 19.182 -3.903 -5.461 1.00 74.18 15 A 1 ATOM 116 N N . VAL A 0 16 . 16.212 -3.167 -9.143 1.00 68.55 16 A 1 ATOM 117 C CA . VAL A 0 16 . 16.517 -3.401 -10.562 1.00 68.55 16 A 1 ATOM 118 C C . VAL A 0 16 . 15.987 -2.262 -11.437 1.00 68.55 16 A 1 ATOM 119 C CB . VAL A 0 16 . 15.953 -4.766 -11.009 1.00 68.55 16 A 1 ATOM 120 O O . VAL A 0 16 . 16.677 -1.824 -12.349 1.00 68.55 16 A 1 ATOM 121 C CG1 . VAL A 0 16 . 16.081 -5.003 -12.519 1.00 68.55 16 A 1 ATOM 122 C CG2 . VAL A 0 16 . 16.690 -5.919 -10.310 1.00 68.55 16 A 1 ATOM 123 N N . CYS A 0 17 . 14.794 -1.730 -11.150 1.00 61.67 17 A 1 ATOM 124 C CA . CYS A 0 17 . 14.252 -0.571 -11.865 1.00 61.67 17 A 1 ATOM 125 C C . CYS A 0 17 . 15.021 0.734 -11.599 1.00 61.67 17 A 1 ATOM 126 C CB . CYS A 0 17 . 12.774 -0.382 -11.495 1.00 61.67 17 A 1 ATOM 127 O O . CYS A 0 17 . 14.972 1.624 -12.441 1.00 61.67 17 A 1 ATOM 128 S SG . CYS A 0 17 . 11.732 -1.652 -12.270 1.00 61.67 17 A 1 ATOM 129 N N . VAL A 0 18 . 15.690 0.871 -10.448 1.00 62.85 18 A 1 ATOM 130 C CA . VAL A 0 18 . 16.524 2.042 -10.125 1.00 62.85 18 A 1 ATOM 131 C C . VAL A 0 18 . 17.901 1.941 -10.784 1.00 62.85 18 A 1 ATOM 132 C CB . VAL A 0 18 . 16.630 2.235 -8.597 1.00 62.85 18 A 1 ATOM 133 O O . VAL A 0 18 . 18.397 2.945 -11.285 1.00 62.85 18 A 1 ATOM 134 C CG1 . VAL A 0 18 . 17.709 3.244 -8.178 1.00 62.85 18 A 1 ATOM 135 C CG2 . VAL A 0 18 . 15.302 2.760 -8.030 1.00 62.85 18 A 1 ATOM 136 N N . GLU A 0 19 . 18.509 0.751 -10.818 1.00 58.97 19 A 1 ATOM 137 C CA . GLU A 0 19 . 19.801 0.532 -11.490 1.00 58.97 19 A 1 ATOM 138 C C . GLU A 0 19 . 19.685 0.538 -13.017 1.00 58.97 19 A 1 ATOM 139 C CB . GLU A 0 19 . 20.419 -0.796 -11.033 1.00 58.97 19 A 1 ATOM 140 O O . GLU A 0 19 . 20.608 0.962 -13.713 1.00 58.97 19 A 1 ATOM 141 C CG . GLU A 0 19 . 21.004 -0.699 -9.617 1.00 58.97 19 A 1 ATOM 142 C CD . GLU A 0 19 . 21.705 -1.990 -9.162 1.00 58.97 19 A 1 ATOM 143 O OE1 . GLU A 0 19 . 22.350 -1.937 -8.089 1.00 58.97 19 A 1 ATOM 144 O OE2 . GLU A 0 19 . 21.578 -3.029 -9.851 1.00 58.97 19 A 1 ATOM 145 N N . ALA A 0 20 . 18.538 0.120 -13.554 1.00 55.02 20 A 1 ATOM 146 C CA . ALA A 0 20 . 18.226 0.236 -14.970 1.00 55.02 20 A 1 ATOM 147 C C . ALA A 0 20 . 17.867 1.688 -15.334 1.00 55.02 20 A 1 ATOM 148 C CB . ALA A 0 20 . 17.137 -0.783 -15.329 1.00 55.02 20 A 1 ATOM 149 O O . ALA A 0 20 . 16.736 1.985 -15.711 1.00 55.02 20 A 1 ATOM 150 N N . THR A 0 21 . 18.831 2.607 -15.227 1.00 54.82 21 A 1 ATOM 151 C CA . THR A 0 21 . 18.763 3.920 -15.881 1.00 54.82 21 A 1 ATOM 152 C C . THR A 0 21 . 18.627 3.688 -17.386 1.00 54.82 21 A 1 ATOM 153 C CB . THR A 0 21 . 20.005 4.804 -15.627 1.00 54.82 21 A 1 ATOM 154 O O . THR A 0 21 . 19.555 3.147 -17.992 1.00 54.82 21 A 1 ATOM 155 C CG2 . THR A 0 21 . 19.602 6.109 -14.943 1.00 54.82 21 A 1 ATOM 156 O OG1 . THR A 0 21 . 20.969 4.192 -14.800 1.00 54.82 21 A 1 ATOM 157 N N . PRO A 0 22 . 17.488 4.026 -18.009 1.00 53.40 22 A 1 ATOM 158 C CA . PRO A 0 22 . 17.288 3.707 -19.408 1.00 53.40 22 A 1 ATOM 159 C C . PRO A 0 22 . 18.080 4.657 -20.298 1.00 53.40 22 A 1 ATOM 160 C CB . PRO A 0 22 . 15.790 3.798 -19.608 1.00 53.40 22 A 1 ATOM 161 O O . PRO A 0 22 . 18.070 5.872 -20.097 1.00 53.40 22 A 1 ATOM 162 C CG . PRO A 0 22 . 15.338 4.859 -18.605 1.00 53.40 22 A 1 ATOM 163 C CD . PRO A 0 22 . 16.304 4.659 -17.440 1.00 53.40 22 A 1 ATOM 164 N N . GLU A 0 23 . 18.764 4.096 -21.292 1.00 56.51 23 A 1 ATOM 165 C CA . GLU A 0 23 . 19.446 4.881 -22.313 1.00 56.51 23 A 1 ATOM 166 C C . GLU A 0 23 . 18.446 5.791 -23.043 1.00 56.51 23 A 1 ATOM 167 C CB . GLU A 0 23 . 20.214 3.983 -23.293 1.00 56.51 23 A 1 ATOM 168 O O . GLU A 0 23 . 17.317 5.403 -23.347 1.00 56.51 23 A 1 ATOM 169 C CG . GLU A 0 23 . 21.349 3.196 -22.609 1.00 56.51 23 A 1 ATOM 170 C CD . GLU A 0 23 . 22.442 2.737 -23.590 1.00 56.51 23 A 1 ATOM 171 O OE1 . GLU A 0 23 . 23.547 2.409 -23.103 1.00 56.51 23 A 1 ATOM 172 O OE2 . GLU A 0 23 . 22.188 2.750 -24.817 1.00 56.51 23 A 1 ATOM 173 N N . VAL A 0 24 . 18.885 7.022 -23.319 1.00 57.16 24 A 1 ATOM 174 C CA . VAL A 0 24 . 18.097 8.216 -23.697 1.00 57.16 24 A 1 ATOM 175 C C . VAL A 0 24 . 17.155 8.021 -24.909 1.00 57.16 24 A 1 ATOM 176 C CB . VAL A 0 24 . 19.101 9.383 -23.896 1.00 57.16 24 A 1 ATOM 177 O O . VAL A 0 24 . 16.264 8.834 -25.140 1.00 57.16 24 A 1 ATOM 178 C CG1 . VAL A 0 24 . 18.477 10.719 -24.316 1.00 57.16 24 A 1 ATOM 179 C CG2 . VAL A 0 24 . 19.886 9.659 -22.598 1.00 57.16 24 A 1 ATOM 180 N N . GLY A 0 25 . 17.287 6.927 -25.666 1.00 59.92 25 A 1 ATOM 181 C CA . GLY A 0 25 . 16.389 6.565 -26.770 1.00 59.92 25 A 1 ATOM 182 C C . GLY A 0 25 . 15.108 5.815 -26.371 1.00 59.92 25 A 1 ATOM 183 O O . GLY A 0 25 . 14.117 5.897 -27.095 1.00 59.92 25 A 1 ATOM 184 N N . ASP A 0 26 . 15.090 5.121 -25.227 1.00 59.92 26 A 1 ATOM 185 C CA . ASP A 0 26 . 14.007 4.194 -24.840 1.00 59.92 26 A 1 ATOM 186 C C . ASP A 0 26 . 13.030 4.788 -23.803 1.00 59.92 26 A 1 ATOM 187 C CB . ASP A 0 26 . 14.624 2.857 -24.371 1.00 59.92 26 A 1 ATOM 188 O O . ASP A 0 26 . 12.026 4.179 -23.421 1.00 59.92 26 A 1 ATOM 189 C CG . ASP A 0 26 . 14.033 1.616 -25.056 1.00 59.92 26 A 1 ATOM 190 O OD1 . ASP A 0 26 . 12.963 1.729 -25.698 1.00 59.92 26 A 1 ATOM 191 O OD2 . ASP A 0 26 . 14.652 0.540 -24.921 1.00 59.92 26 A 1 ATOM 192 N N . GLU A 0 27 . 13.280 6.025 -23.360 1.00 64.71 27 A 1 ATOM 193 C CA . GLU A 0 27 . 12.484 6.687 -22.322 1.00 64.71 27 A 1 ATOM 194 C C . GLU A 0 27 . 11.000 6.813 -22.684 1.00 64.71 27 A 1 ATOM 195 C CB . GLU A 0 27 . 12.977 8.113 -22.074 1.00 64.71 27 A 1 ATOM 196 O O . GLU A 0 27 . 10.137 6.684 -21.816 1.00 64.71 27 A 1 ATOM 197 C CG . GLU A 0 27 . 14.353 8.250 -21.415 1.00 64.71 27 A 1 ATOM 198 C CD . GLU A 0 27 . 14.474 9.640 -20.762 1.00 64.71 27 A 1 ATOM 199 O OE1 . GLU A 0 27 . 15.158 9.741 -19.725 1.00 64.71 27 A 1 ATOM 200 O OE2 . GLU A 0 27 . 13.745 10.573 -21.194 1.00 64.71 27 A 1 ATOM 201 N N . MET A 0 28 . 10.672 7.084 -23.952 1.00 66.28 28 A 1 ATOM 202 C CA . MET A 0 28 . 9.276 7.224 -24.385 1.00 66.28 28 A 1 ATOM 203 C C . MET A 0 28 . 8.528 5.889 -24.352 1.00 66.28 28 A 1 ATOM 204 C CB . MET A 0 28 . 9.203 7.843 -25.788 1.00 66.28 28 A 1 ATOM 205 O O . MET A 0 28 . 7.361 5.852 -23.947 1.00 66.28 28 A 1 ATOM 206 C CG . MET A 0 28 . 9.362 9.370 -25.757 1.00 66.28 28 A 1 ATOM 207 S SD . MET A 0 28 . 7.965 10.271 -26.492 1.00 66.28 28 A 1 ATOM 208 C CE . MET A 0 28 . 8.310 9.996 -28.251 1.00 66.28 28 A 1 ATOM 209 N N . LEU A 0 29 . 9.188 4.794 -24.742 1.00 71.42 29 A 1 ATOM 210 C CA . LEU A 0 29 . 8.607 3.454 -24.688 1.00 71.42 29 A 1 ATOM 211 C C . LEU A 0 29 . 8.453 2.992 -23.242 1.00 71.42 29 A 1 ATOM 212 C CB . LEU A 0 29 . 9.463 2.475 -25.510 1.00 71.42 29 A 1 ATOM 213 O O . LEU A 0 29 . 7.384 2.507 -22.874 1.00 71.42 29 A 1 ATOM 214 C CG . LEU A 0 29 . 9.329 2.647 -27.035 1.00 71.42 29 A 1 ATOM 215 C CD1 . LEU A 0 29 . 10.265 1.694 -27.771 1.00 71.42 29 A 1 ATOM 216 C CD2 . LEU A 0 29 . 7.904 2.348 -27.525 1.00 71.42 29 A 1 ATOM 217 N N . LEU A 0 30 . 9.451 3.242 -22.395 1.00 69.93 30 A 1 ATOM 218 C CA . LEU A 0 30 . 9.374 2.945 -20.967 1.00 69.93 30 A 1 ATOM 219 C C . LEU A 0 30 . 8.303 3.766 -20.262 1.00 69.93 30 A 1 ATOM 220 C CB . LEU A 0 30 . 10.746 3.162 -20.331 1.00 69.93 30 A 1 ATOM 221 O O . LEU A 0 30 . 7.490 3.192 -19.547 1.00 69.93 30 A 1 ATOM 222 C CG . LEU A 0 30 . 11.701 2.012 -20.675 1.00 69.93 30 A 1 ATOM 223 C CD1 . LEU A 0 30 . 13.102 2.466 -20.353 1.00 69.93 30 A 1 ATOM 224 C CD2 . LEU A 0 30 . 11.424 0.758 -19.839 1.00 69.93 30 A 1 ATOM 225 N N . LYS A 0 31 . 8.208 5.076 -20.513 1.00 75.99 31 A 1 ATOM 226 C CA . LYS A 0 31 . 7.125 5.910 -19.967 1.00 75.99 31 A 1 ATOM 227 C C . LYS A 0 31 . 5.757 5.382 -20.388 1.00 75.99 31 A 1 ATOM 228 C CB . LYS A 0 31 . 7.304 7.378 -20.389 1.00 75.99 31 A 1 ATOM 229 O O . LYS A 0 31 . 4.861 5.299 -19.552 1.00 75.99 31 A 1 ATOM 230 C CG . LYS A 0 31 . 8.388 8.073 -19.550 1.00 75.99 31 A 1 ATOM 231 C CD . LYS A 0 31 . 8.739 9.471 -20.084 1.00 75.99 31 A 1 ATOM 232 C CE . LYS A 0 31 . 9.877 10.052 -19.230 1.00 75.99 31 A 1 ATOM 233 N NZ . LYS A 0 31 . 10.534 11.239 -19.839 1.00 75.99 31 A 1 ATOM 234 N N . ARG A 0 32 . 5.592 4.974 -21.652 1.00 76.65 32 A 1 ATOM 235 C CA . ARG A 0 32 . 4.336 4.388 -22.143 1.00 76.65 32 A 1 ATOM 236 C C . ARG A 0 32 . 4.034 3.038 -21.487 1.00 76.65 32 A 1 ATOM 237 C CB . ARG A 0 32 . 4.369 4.312 -23.676 1.00 76.65 32 A 1 ATOM 238 O O . ARG A 0 32 . 2.901 2.830 -21.068 1.00 76.65 32 A 1 ATOM 239 C CG . ARG A 0 32 . 3.015 3.859 -24.244 1.00 76.65 32 A 1 ATOM 240 C CD . ARG A 0 32 . 2.991 3.894 -25.776 1.00 76.65 32 A 1 ATOM 241 N NE . ARG A 0 32 . 2.896 5.269 -26.305 1.00 76.65 32 A 1 ATOM 242 N NH1 . ARG A 0 32 . 2.476 4.704 -28.490 1.00 76.65 32 A 1 ATOM 243 N NH2 . ARG A 0 32 . 2.527 6.856 -27.902 1.00 76.65 32 A 1 ATOM 244 C CZ . ARG A 0 32 . 2.634 5.603 -27.558 1.00 76.65 32 A 1 ATOM 245 N N . MET A 0 33 . 5.022 2.151 -21.352 1.00 76.09 33 A 1 ATOM 246 C CA . MET A 0 33 . 4.861 0.858 -20.675 1.00 76.09 33 A 1 ATOM 247 C C . MET A 0 33 . 4.550 1.025 -19.187 1.00 76.09 33 A 1 ATOM 248 C CB . MET A 0 33 . 6.124 -0.001 -20.838 1.00 76.09 33 A 1 ATOM 249 O O . MET A 0 33 . 3.680 0.333 -18.663 1.00 76.09 33 A 1 ATOM 250 C CG . MET A 0 33 . 6.233 -0.603 -22.241 1.00 76.09 33 A 1 ATOM 251 S SD . MET A 0 33 . 7.539 -1.849 -22.406 1.00 76.09 33 A 1 ATOM 252 C CE . MET A 0 33 . 9.012 -0.793 -22.472 1.00 76.09 33 A 1 ATOM 253 N N . VAL A 0 34 . 5.211 1.964 -18.512 1.00 74.85 34 A 1 ATOM 254 C CA . VAL A 0 34 . 4.961 2.291 -17.105 1.00 74.85 34 A 1 ATOM 255 C C . VAL A 0 34 . 3.564 2.876 -16.932 1.00 74.85 34 A 1 ATOM 256 C CB . VAL A 0 34 . 6.045 3.240 -16.558 1.00 74.85 34 A 1 ATOM 257 O O . VAL A 0 34 . 2.859 2.445 -16.028 1.00 74.85 34 A 1 ATOM 258 C CG1 . VAL A 0 34 . 5.697 3.796 -15.170 1.00 74.85 34 A 1 ATOM 259 C CG2 . VAL A 0 34 . 7.384 2.501 -16.422 1.00 74.85 34 A 1 ATOM 260 N N . LEU A 0 35 . 3.126 3.794 -17.801 1.00 76.92 35 A 1 ATOM 261 C CA . LEU A 0 35 . 1.769 4.351 -17.764 1.00 76.92 35 A 1 ATOM 262 C C . LEU A 0 35 . 0.704 3.275 -18.004 1.00 76.92 35 A 1 ATOM 263 C CB . LEU A 0 35 . 1.640 5.494 -18.787 1.00 76.92 35 A 1 ATOM 264 O O . LEU A 0 35 . -0.221 3.164 -17.207 1.00 76.92 35 A 1 ATOM 265 C CG . LEU A 0 35 . 2.245 6.824 -18.303 1.00 76.92 35 A 1 ATOM 266 C CD1 . LEU A 0 35 . 2.422 7.782 -19.483 1.00 76.92 35 A 1 ATOM 267 C CD2 . LEU A 0 35 . 1.345 7.510 -17.270 1.00 76.92 35 A 1 ATOM 268 N N . ASP A 0 36 . 0.865 2.433 -19.027 1.00 81.55 36 A 1 ATOM 269 C CA . ASP A 0 36 . -0.089 1.356 -19.326 1.00 81.55 36 A 1 ATOM 270 C C . ASP A 0 36 . -0.124 0.303 -18.203 1.00 81.55 36 A 1 ATOM 271 C CB . ASP A 0 36 . 0.271 0.732 -20.687 1.00 81.55 36 A 1 ATOM 272 O O . ASP A 0 36 . -1.187 -0.170 -17.796 1.00 81.55 36 A 1 ATOM 273 C CG . ASP A 0 36 . -0.783 -0.268 -21.183 1.00 81.55 36 A 1 ATOM 274 O OD1 . ASP A 0 36 . -1.994 -0.012 -21.029 1.00 81.55 36 A 1 ATOM 275 O OD2 . ASP A 0 36 . -0.398 -1.349 -21.690 1.00 81.55 36 A 1 ATOM 276 N N . THR A 0 37 . 1.035 -0.018 -17.619 1.00 76.54 37 A 1 ATOM 277 C CA . THR A 0 37 . 1.123 -0.918 -16.460 1.00 76.54 37 A 1 ATOM 278 C C . THR A 0 37 . 0.499 -0.285 -15.222 1.00 76.54 37 A 1 ATOM 279 C CB . THR A 0 37 . 2.570 -1.331 -16.160 1.00 76.54 37 A 1 ATOM 280 O O . THR A 0 37 . -0.234 -0.958 -14.500 1.00 76.54 37 A 1 ATOM 281 C CG2 . THR A 0 37 . 2.656 -2.380 -15.050 1.00 76.54 37 A 1 ATOM 282 O OG1 . THR A 0 37 . 3.138 -1.919 -17.302 1.00 76.54 37 A 1 ATOM 283 N N . ALA A 0 38 . 0.732 1.006 -14.982 1.00 74.48 38 A 1 ATOM 284 C CA . ALA A 0 38 . 0.138 1.741 -13.874 1.00 74.48 38 A 1 ATOM 285 C C . ALA A 0 38 . -1.382 1.839 -14.023 1.00 74.48 38 A 1 ATOM 286 C CB . ALA A 0 38 . 0.779 3.130 -13.774 1.00 74.48 38 A 1 ATOM 287 O O . ALA A 0 38 . -2.091 1.666 -13.036 1.00 74.48 38 A 1 ATOM 288 N N . ASP A 0 39 . -1.904 2.052 -15.229 1.00 76.66 39 A 1 ATOM 289 C CA . ASP A 0 39 . -3.344 2.120 -15.471 1.00 76.66 39 A 1 ATOM 290 C C . ASP A 0 39 . -4.007 0.741 -15.376 1.00 76.66 39 A 1 ATOM 291 C CB . ASP A 0 39 . -3.626 2.836 -16.797 1.00 76.66 39 A 1 ATOM 292 O O . ASP A 0 39 . -5.063 0.615 -14.751 1.00 76.66 39 A 1 ATOM 293 C CG . ASP A 0 39 . -3.398 4.356 -16.706 1.00 76.66 39 A 1 ATOM 294 O OD1 . ASP A 0 39 . -3.439 4.921 -15.570 1.00 76.66 39 A 1 ATOM 295 O OD2 . ASP A 0 39 . -3.238 4.968 -17.781 1.00 76.66 39 A 1 ATOM 296 N N . LYS A 0 40 . -3.354 -0.326 -15.856 1.00 78.91 40 A 1 ATOM 297 C CA . LYS A 0 40 . -3.790 -1.711 -15.606 1.00 78.91 40 A 1 ATOM 298 C C . LYS A 0 40 . -3.762 -2.053 -14.120 1.00 78.91 40 A 1 ATOM 299 C CB . LYS A 0 40 . -2.915 -2.690 -16.401 1.00 78.91 40 A 1 ATOM 300 O O . LYS A 0 40 . -4.724 -2.626 -13.611 1.00 78.91 40 A 1 ATOM 301 C CG . LYS A 0 40 . -3.322 -2.720 -17.880 1.00 78.91 40 A 1 ATOM 302 C CD . LYS A 0 40 . -2.285 -3.469 -18.722 1.00 78.91 40 A 1 ATOM 303 C CE . LYS A 0 40 . -2.740 -3.479 -20.184 1.00 78.91 40 A 1 ATOM 304 N NZ . LYS A 0 40 . -1.611 -3.713 -21.111 1.00 78.91 40 A 1 ATOM 305 N N . LEU A 0 41 . -2.709 -1.668 -13.399 1.00 74.74 41 A 1 ATOM 306 C CA . LEU A 0 41 . -2.598 -1.876 -11.957 1.00 74.74 41 A 1 ATOM 307 C C . LEU A 0 41 . -3.669 -1.082 -11.208 1.00 74.74 41 A 1 ATOM 308 C CB . LEU A 0 41 . -1.195 -1.482 -11.468 1.00 74.74 41 A 1 ATOM 309 O O . LEU A 0 41 . -4.302 -1.635 -10.315 1.00 74.74 41 A 1 ATOM 310 C CG . LEU A 0 41 . -0.911 -1.979 -10.036 1.00 74.74 41 A 1 ATOM 311 C CD1 . LEU A 0 41 . -0.293 -3.378 -10.064 1.00 74.74 41 A 1 ATOM 312 C CD2 . LEU A 0 41 . 0.039 -1.031 -9.310 1.00 74.74 41 A 1 ATOM 313 N N . LYS A 0 42 . -3.929 0.175 -11.582 1.00 75.47 42 A 1 ATOM 314 C CA . LYS A 0 42 . -5.029 0.980 -11.034 1.00 75.47 42 A 1 ATOM 315 C C . LYS A 0 42 . -6.365 0.308 -11.297 1.00 75.47 42 A 1 ATOM 316 C CB . LYS A 0 42 . -5.061 2.376 -11.663 1.00 75.47 42 A 1 ATOM 317 O O . LYS A 0 42 . -7.146 0.173 -10.366 1.00 75.47 42 A 1 ATOM 318 C CG . LYS A 0 42 . -4.025 3.363 -11.107 1.00 75.47 42 A 1 ATOM 319 C CD . LYS A 0 42 . -4.086 4.608 -11.997 1.00 75.47 42 A 1 ATOM 320 C CE . LYS A 0 42 . -2.950 5.598 -11.768 1.00 75.47 42 A 1 ATOM 321 N NZ . LYS A 0 42 . -2.871 6.497 -12.949 1.00 75.47 42 A 1 ATOM 322 N N . MET A 0 43 . -6.626 -0.158 -12.516 1.00 76.81 43 A 1 ATOM 323 C CA . MET A 0 43 . -7.879 -0.829 -12.863 1.00 76.81 43 A 1 ATOM 324 C C . MET A 0 43 . -8.057 -2.132 -12.073 1.00 76.81 43 A 1 ATOM 325 C CB . MET A 0 43 . -7.922 -1.069 -14.377 1.00 76.81 43 A 1 ATOM 326 O O . MET A 0 43 . -9.132 -2.383 -11.527 1.00 76.81 43 A 1 ATOM 327 C CG . MET A 0 43 . -9.317 -1.512 -14.827 1.00 76.81 43 A 1 ATOM 328 S SD . MET A 0 43 . -9.458 -1.903 -16.590 1.00 76.81 43 A 1 ATOM 329 C CE . MET A 0 43 . -9.254 -0.255 -17.325 1.00 76.81 43 A 1 ATOM 330 N N . LEU A 0 44 . -6.995 -2.931 -11.936 1.00 72.65 44 A 1 ATOM 331 C CA . LEU A 0 44 . -6.995 -4.125 -11.094 1.00 72.65 44 A 1 ATOM 332 C C . LEU A 0 44 . -7.211 -3.759 -9.627 1.00 72.65 44 A 1 ATOM 333 C CB . LEU A 0 44 . -5.681 -4.907 -11.277 1.00 72.65 44 A 1 ATOM 334 O O . LEU A 0 44 . -8.070 -4.350 -8.981 1.00 72.65 44 A 1 ATOM 335 C CG . LEU A 0 44 . -5.562 -5.653 -12.618 1.00 72.65 44 A 1 ATOM 336 C CD1 . LEU A 0 44 . -4.164 -6.258 -12.738 1.00 72.65 44 A 1 ATOM 337 C CD2 . LEU A 0 44 . -6.586 -6.787 -12.737 1.00 72.65 44 A 1 ATOM 338 N N . THR A 0 45 . -6.497 -2.767 -9.109 1.00 69.75 45 A 1 ATOM 339 C CA . THR A 0 45 . -6.609 -2.305 -7.721 1.00 69.75 45 A 1 ATOM 340 C C . THR A 0 45 . -8.013 -1.784 -7.440 1.00 69.75 45 A 1 ATOM 341 C CB . THR A 0 45 . -5.555 -1.234 -7.406 1.00 69.75 45 A 1 ATOM 342 O O . THR A 0 45 . -8.612 -2.179 -6.450 1.00 69.75 45 A 1 ATOM 343 C CG2 . THR A 0 45 . -5.570 -0.810 -5.942 1.00 69.75 45 A 1 ATOM 344 O OG1 . THR A 0 45 . -4.273 -1.754 -7.647 1.00 69.75 45 A 1 ATOM 345 N N . LEU A 0 46 . -8.602 -0.995 -8.341 1.00 72.87 46 A 1 ATOM 346 C CA . LEU A 0 46 . -9.984 -0.524 -8.245 1.00 72.87 46 A 1 ATOM 347 C C . LEU A 0 46 . -10.981 -1.681 -8.275 1.00 72.87 46 A 1 ATOM 348 C CB . LEU A 0 46 . -10.282 0.460 -9.390 1.00 72.87 46 A 1 ATOM 349 O O . LEU A 0 46 . -11.912 -1.689 -7.476 1.00 72.87 46 A 1 ATOM 350 C CG . LEU A 0 46 . -9.649 1.853 -9.217 1.00 72.87 46 A 1 ATOM 351 C CD1 . LEU A 0 46 . -9.851 2.655 -10.502 1.00 72.87 46 A 1 ATOM 352 C CD2 . LEU A 0 46 . -10.278 2.631 -8.059 1.00 72.87 46 A 1 ATOM 353 N N . LYS A 0 47 . -10.778 -2.690 -9.130 1.00 74.63 47 A 1 ATOM 354 C CA . LYS A 0 47 . -11.638 -3.882 -9.176 1.00 74.63 47 A 1 ATOM 355 C C . LYS A 0 47 . -11.545 -4.699 -7.885 1.00 74.63 47 A 1 ATOM 356 C CB . LYS A 0 47 . -11.287 -4.701 -10.427 1.00 74.63 47 A 1 ATOM 357 O O . LYS A 0 47 . -12.572 -5.135 -7.368 1.00 74.63 47 A 1 ATOM 358 C CG . LYS A 0 47 . -12.328 -5.790 -10.725 1.00 74.63 47 A 1 ATOM 359 C CD . LYS A 0 47 . -12.003 -6.493 -12.050 1.00 74.63 47 A 1 ATOM 360 C CE . LYS A 0 47 . -13.081 -7.531 -12.386 1.00 74.63 47 A 1 ATOM 361 N NZ . LYS A 0 47 . -12.840 -8.164 -13.709 1.00 74.63 47 A 1 ATOM 362 N N . HIS A 0 48 . -10.343 -4.862 -7.331 1.00 72.00 48 A 1 ATOM 363 C CA . HIS A 0 48 . -10.129 -5.536 -6.048 1.00 72.00 48 A 1 ATOM 364 C C . HIS A 0 48 . -10.699 -4.726 -4.880 1.00 72.00 48 A 1 ATOM 365 C CB . HIS A 0 48 . -8.638 -5.826 -5.828 1.00 72.00 48 A 1 ATOM 366 O O . HIS A 0 48 . -11.363 -5.301 -4.023 1.00 72.00 48 A 1 ATOM 367 C CG . HIS A 0 48 . -8.116 -6.954 -6.682 1.00 72.00 48 A 1 ATOM 368 C CD2 . HIS A 0 48 . -7.936 -8.258 -6.310 1.00 72.00 48 A 1 ATOM 369 N ND1 . HIS A 0 48 . -7.718 -6.859 -7.990 1.00 72.00 48 A 1 ATOM 370 C CE1 . HIS A 0 48 . -7.301 -8.063 -8.403 1.00 72.00 48 A 1 ATOM 371 N NE2 . HIS A 0 48 . -7.431 -8.955 -7.412 1.00 72.00 48 A 1 ATOM 372 N N . ILE A 0 49 . -10.513 -3.403 -4.864 1.00 69.96 49 A 1 ATOM 373 C CA . ILE A 0 49 . -11.095 -2.503 -3.862 1.00 69.96 49 A 1 ATOM 374 C C . ILE A 0 49 . -12.617 -2.531 -3.953 1.00 69.96 49 A 1 ATOM 375 C CB . ILE A 0 49 . -10.543 -1.063 -3.999 1.00 69.96 49 A 1 ATOM 376 O O . ILE A 0 49 . -13.261 -2.624 -2.920 1.00 69.96 49 A 1 ATOM 377 C CG1 . ILE A 0 49 . -9.074 -1.011 -3.521 1.00 69.96 49 A 1 ATOM 378 C CG2 . ILE A 0 49 . -11.381 -0.053 -3.184 1.00 69.96 49 A 1 ATOM 379 C CD1 . ILE A 0 49 . -8.374 0.317 -3.834 1.00 69.96 49 A 1 ATOM 380 N N . ALA A 0 50 . -13.209 -2.501 -5.147 1.00 72.21 50 A 1 ATOM 381 C CA . ALA A 0 50 . -14.657 -2.569 -5.324 1.00 72.21 50 A 1 ATOM 382 C C . ALA A 0 50 . -15.221 -3.924 -4.868 1.00 72.21 50 A 1 ATOM 383 C CB . ALA A 0 50 . -14.993 -2.279 -6.791 1.00 72.21 50 A 1 ATOM 384 O O . ALA A 0 50 . -16.212 -3.965 -4.144 1.00 72.21 50 A 1 ATOM 385 N N . ALA A 0 51 . -14.563 -5.033 -5.219 1.00 71.51 51 A 1 ATOM 386 C CA . ALA A 0 51 . -14.961 -6.364 -4.764 1.00 71.51 51 A 1 ATOM 387 C C . ALA A 0 51 . -14.817 -6.519 -3.242 1.00 71.51 51 A 1 ATOM 388 C CB . ALA A 0 51 . -14.123 -7.406 -5.511 1.00 71.51 51 A 1 ATOM 389 O O . ALA A 0 51 . -15.710 -7.054 -2.586 1.00 71.51 51 A 1 ATOM 390 N N . CYS A 0 52 . -13.715 -6.020 -2.676 1.00 67.99 52 A 1 ATOM 391 C CA . CYS A 0 52 . -13.482 -5.997 -1.237 1.00 67.99 52 A 1 ATOM 392 C C . CYS A 0 52 . -14.532 -5.128 -0.547 1.00 67.99 52 A 1 ATOM 393 C CB . CYS A 0 52 . -12.052 -5.514 -0.964 1.00 67.99 52 A 1 ATOM 394 O O . CYS A 0 52 . -15.196 -5.600 0.362 1.00 67.99 52 A 1 ATOM 395 S SG . CYS A 0 52 . -11.664 -5.763 0.790 1.00 67.99 52 A 1 ATOM 396 N N . ARG A 0 53 . -14.780 -3.913 -1.044 1.00 68.45 53 A 1 ATOM 397 C CA . ARG A 0 53 . -15.793 -2.989 -0.528 1.00 68.45 53 A 1 ATOM 398 C C . ARG A 0 53 . -17.189 -3.601 -0.563 1.00 68.45 53 A 1 ATOM 399 C CB . ARG A 0 53 . -15.720 -1.668 -1.307 1.00 68.45 53 A 1 ATOM 400 O O . ARG A 0 53 . -17.890 -3.487 0.430 1.00 68.45 53 A 1 ATOM 401 C CG . ARG A 0 53 . -16.703 -0.622 -0.770 1.00 68.45 53 A 1 ATOM 402 C CD . ARG A 0 53 . -16.534 0.701 -1.521 1.00 68.45 53 A 1 ATOM 403 N NE . ARG A 0 53 . -17.619 1.637 -1.182 1.00 68.45 53 A 1 ATOM 404 N NH1 . ARG A 0 53 . -16.790 3.486 -2.267 1.00 68.45 53 A 1 ATOM 405 N NH2 . ARG A 0 53 . -18.747 3.612 -1.201 1.00 68.45 53 A 1 ATOM 406 C CZ . ARG A 0 53 . -17.711 2.903 -1.550 1.00 68.45 53 A 1 ATOM 407 N N . ASN A 0 54 . -17.573 -4.287 -1.637 1.00 69.51 54 A 1 ATOM 408 C CA . ASN A 0 54 . -18.874 -4.955 -1.718 1.00 69.51 54 A 1 ATOM 409 C C . ASN A 0 54 . -18.987 -6.113 -0.721 1.00 69.51 54 A 1 ATOM 410 C CB . ASN A 0 54 . -19.122 -5.435 -3.157 1.00 69.51 54 A 1 ATOM 411 O O . ASN A 0 54 . -20.001 -6.221 -0.035 1.00 69.51 54 A 1 ATOM 412 C CG . ASN A 0 54 . -19.500 -4.311 -4.105 1.00 69.51 54 A 1 ATOM 413 N ND2 . ASN A 0 54 . -19.499 -4.571 -5.390 1.00 69.51 54 A 1 ATOM 414 O OD1 . ASN A 0 54 . -19.820 -3.200 -3.722 1.00 69.51 54 A 1 ATOM 415 N N . LYS A 0 55 . -17.948 -6.950 -0.586 1.00 67.51 55 A 1 ATOM 416 C CA . LYS A 0 55 . -17.927 -8.010 0.435 1.00 67.51 55 A 1 ATOM 417 C C . LYS A 0 55 . -18.008 -7.421 1.836 1.00 67.51 55 A 1 ATOM 418 C CB . LYS A 0 55 . -16.675 -8.884 0.301 1.00 67.51 55 A 1 ATOM 419 O O . LYS A 0 55 . -18.868 -7.812 2.607 1.00 67.51 55 A 1 ATOM 420 C CG . LYS A 0 55 . -16.812 -9.886 -0.848 1.00 67.51 55 A 1 ATOM 421 C CD . LYS A 0 55 . -15.618 -10.846 -0.857 1.00 67.51 55 A 1 ATOM 422 C CE . LYS A 0 55 . -15.816 -11.894 -1.954 1.00 67.51 55 A 1 ATOM 423 N NZ . LYS A 0 55 . -14.746 -12.921 -1.923 1.00 67.51 55 A 1 ATOM 424 N N . VAL A 0 56 . -17.160 -6.446 2.129 1.00 64.68 56 A 1 ATOM 425 C CA . VAL A 0 56 . -17.080 -5.748 3.412 1.00 64.68 56 A 1 ATOM 426 C C . VAL A 0 56 . -18.411 -5.071 3.749 1.00 64.68 56 A 1 ATOM 427 C CB . VAL A 0 56 . -15.898 -4.763 3.346 1.00 64.68 56 A 1 ATOM 428 O O . VAL A 0 56 . -18.899 -5.209 4.860 1.00 64.68 56 A 1 ATOM 429 C CG1 . VAL A 0 56 . -15.839 -3.811 4.519 1.00 64.68 56 A 1 ATOM 430 C CG2 . VAL A 0 56 . -14.555 -5.511 3.371 1.00 64.68 56 A 1 ATOM 431 N N . GLN A 0 57 . -19.057 -4.416 2.784 1.00 64.36 57 A 1 ATOM 432 C CA . GLN A 0 57 . -20.372 -3.804 2.975 1.00 64.36 57 A 1 ATOM 433 C C . GLN A 0 57 . -21.482 -4.845 3.178 1.00 64.36 57 A 1 ATOM 434 C CB . GLN A 0 57 . -20.666 -2.890 1.777 1.00 64.36 57 A 1 ATOM 435 O O . GLN A 0 57 . -22.417 -4.574 3.922 1.00 64.36 57 A 1 ATOM 436 C CG . GLN A 0 57 . -21.925 -2.037 1.982 1.00 64.36 57 A 1 ATOM 437 C CD . GLN A 0 57 . -22.178 -1.055 0.842 1.00 64.36 57 A 1 ATOM 438 N NE2 . GLN A 0 57 . -23.179 -0.213 0.970 1.00 64.36 57 A 1 ATOM 439 O OE1 . GLN A 0 57 . -21.492 -0.995 -0.166 1.00 64.36 57 A 1 ATOM 440 N N . THR A 0 58 . -21.389 -6.017 2.543 1.00 67.30 58 A 1 ATOM 441 C CA . THR A 0 58 . -22.350 -7.116 2.746 1.00 67.30 58 A 1 ATOM 442 C C . THR A 0 58 . -22.178 -7.724 4.138 1.00 67.30 58 A 1 ATOM 443 C CB . THR A 0 58 . -22.234 -8.191 1.654 1.00 67.30 58 A 1 ATOM 444 O O . THR A 0 58 . -23.147 -7.776 4.885 1.00 67.30 58 A 1 ATOM 445 C CG2 . THR A 0 58 . -23.373 -9.205 1.716 1.00 67.30 58 A 1 ATOM 446 O OG1 . THR A 0 58 . -22.297 -7.589 0.375 1.00 67.30 58 A 1 ATOM 447 N N . TYR A 0 59 . -20.941 -8.042 4.538 1.00 57.67 59 A 1 ATOM 448 C CA . TYR A 0 59 . -20.618 -8.509 5.892 1.00 57.67 59 A 1 ATOM 449 C C . TYR A 0 59 . -21.052 -7.499 6.967 1.00 57.67 59 A 1 ATOM 450 C CB . TYR A 0 59 . -19.108 -8.806 5.995 1.00 57.67 59 A 1 ATOM 451 O O . TYR A 0 59 . -21.670 -7.871 7.955 1.00 57.67 59 A 1 ATOM 452 C CG . TYR A 0 59 . -18.699 -10.173 5.472 1.00 57.67 59 A 1 ATOM 453 C CD1 . TYR A 0 59 . -19.097 -11.319 6.184 1.00 57.67 59 A 1 ATOM 454 C CD2 . TYR A 0 59 . -17.918 -10.316 4.307 1.00 57.67 59 A 1 ATOM 455 C CE1 . TYR A 0 59 . -18.747 -12.601 5.725 1.00 57.67 59 A 1 ATOM 456 C CE2 . TYR A 0 59 . -17.577 -11.598 3.831 1.00 57.67 59 A 1 ATOM 457 O OH . TYR A 0 59 . -17.670 -13.979 4.080 1.00 57.67 59 A 1 ATOM 458 C CZ . TYR A 0 59 . -17.997 -12.743 4.540 1.00 57.67 59 A 1 ATOM 459 N N . PHE A 0 60 . -20.821 -6.198 6.758 1.00 60.81 60 A 1 ATOM 460 C CA . PHE A 0 60 . -21.241 -5.177 7.726 1.00 60.81 60 A 1 ATOM 461 C C . PHE A 0 60 . -22.741 -4.903 7.757 1.00 60.81 60 A 1 ATOM 462 C CB . PHE A 0 60 . -20.470 -3.873 7.491 1.00 60.81 60 A 1 ATOM 463 O O . PHE A 0 60 . -23.222 -4.362 8.750 1.00 60.81 60 A 1 ATOM 464 C CG . PHE A 0 60 . -18.991 -3.941 7.809 1.00 60.81 60 A 1 ATOM 465 C CD1 . PHE A 0 60 . -18.526 -4.665 8.922 1.00 60.81 60 A 1 ATOM 466 C CD2 . PHE A 0 60 . -18.067 -3.232 7.026 1.00 60.81 60 A 1 ATOM 467 C CE1 . PHE A 0 60 . -17.152 -4.733 9.206 1.00 60.81 60 A 1 ATOM 468 C CE2 . PHE A 0 60 . -16.701 -3.234 7.366 1.00 60.81 60 A 1 ATOM 469 C CZ . PHE A 0 60 . -16.233 -4.012 8.433 1.00 60.81 60 A 1 ATOM 470 N N . ARG A 0 61 . -23.475 -5.252 6.695 1.00 63.39 61 A 1 ATOM 471 C CA . ARG A 0 61 . -24.940 -5.212 6.697 1.00 63.39 61 A 1 ATOM 472 C C . ARG A 0 61 . -25.543 -6.392 7.450 1.00 63.39 61 A 1 ATOM 473 C CB . ARG A 0 61 . -25.477 -5.170 5.264 1.00 63.39 61 A 1 ATOM 474 O O . ARG A 0 61 . -26.580 -6.208 8.068 1.00 63.39 61 A 1 ATOM 475 C CG . ARG A 0 61 . -25.494 -3.741 4.719 1.00 63.39 61 A 1 ATOM 476 C CD . ARG A 0 61 . -26.016 -3.757 3.282 1.00 63.39 61 A 1 ATOM 477 N NE . ARG A 0 61 . -26.305 -2.394 2.802 1.00 63.39 61 A 1 ATOM 478 N NH1 . ARG A 0 61 . -27.258 -3.009 0.809 1.00 63.39 61 A 1 ATOM 479 N NH2 . ARG A 0 61 . -27.167 -0.848 1.371 1.00 63.39 61 A 1 ATOM 480 C CZ . ARG A 0 61 . -26.903 -2.091 1.665 1.00 63.39 61 A 1 ATOM 481 N N . GLU A 0 62 . -24.916 -7.564 7.393 1.00 61.73 62 A 1 ATOM 482 C CA . GLU A 0 62 . -25.376 -8.745 8.133 1.00 61.73 62 A 1 ATOM 483 C C . GLU A 0 62 . -25.173 -8.590 9.646 1.00 61.73 62 A 1 ATOM 484 C CB . GLU A 0 62 . -24.681 -10.007 7.591 1.00 61.73 62 A 1 ATOM 485 O O . GLU A 0 62 . -26.049 -8.982 10.410 1.00 61.73 62 A 1 ATOM 486 C CG . GLU A 0 62 . -25.237 -10.397 6.209 1.00 61.73 62 A 1 ATOM 487 C CD . GLU A 0 62 . -24.556 -11.619 5.566 1.00 61.73 62 A 1 ATOM 488 O OE1 . GLU A 0 62 . -25.001 -11.992 4.454 1.00 61.73 62 A 1 ATOM 489 O OE2 . GLU A 0 62 . -23.572 -12.152 6.127 1.00 61.73 62 A 1 ATOM 490 N N . ASP A 0 63 . -24.081 -7.949 10.074 1.00 61.41 63 A 1 ATOM 491 C CA . ASP A 0 63 . -23.762 -7.801 11.501 1.00 61.41 63 A 1 ATOM 492 C C . ASP A 0 63 . -24.238 -6.476 12.148 1.00 61.41 63 A 1 ATOM 493 C CB . ASP A 0 63 . -22.254 -8.003 11.719 1.00 61.41 63 A 1 ATOM 494 O O . ASP A 0 63 . -23.897 -6.200 13.297 1.00 61.41 63 A 1 ATOM 495 C CG . ASP A 0 63 . -21.717 -9.412 11.460 1.00 61.41 63 A 1 ATOM 496 O OD1 . ASP A 0 63 . -22.425 -10.385 11.792 1.00 61.41 63 A 1 ATOM 497 O OD2 . ASP A 0 63 . -20.534 -9.496 11.046 1.00 61.41 63 A 1 ATOM 498 N N . ASP A 0 64 . -24.969 -5.611 11.432 1.00 60.04 64 A 1 ATOM 499 C CA . ASP A 0 64 . -25.362 -4.254 11.890 1.00 60.04 64 A 1 ATOM 500 C C . ASP A 0 64 . -24.165 -3.386 12.363 1.00 60.04 64 A 1 ATOM 501 C CB . ASP A 0 64 . -26.516 -4.344 12.912 1.00 60.04 64 A 1 ATOM 502 O O . ASP A 0 64 . -24.266 -2.434 13.140 1.00 60.04 64 A 1 ATOM 503 C CG . ASP A 0 64 . -27.580 -3.244 12.773 1.00 60.04 64 A 1 ATOM 504 O OD1 . ASP A 0 64 . -27.413 -2.344 11.914 1.00 60.04 64 A 1 ATOM 505 O OD2 . ASP A 0 64 . -28.597 -3.356 13.494 1.00 60.04 64 A 1 ATOM 506 N N . LEU A 0 65 . -22.960 -3.720 11.888 1.00 59.04 65 A 1 ATOM 507 C CA . LEU A 0 65 . -21.704 -3.146 12.374 1.00 59.04 65 A 1 ATOM 508 C C . LEU A 0 65 . -21.378 -1.780 11.747 1.00 59.04 65 A 1 ATOM 509 C CB . LEU A 0 65 . -20.560 -4.166 12.185 1.00 59.04 65 A 1 ATOM 510 O O . LEU A 0 65 . -20.392 -1.142 12.132 1.00 59.04 65 A 1 ATOM 511 C CG . LEU A 0 65 . -19.950 -4.634 13.520 1.00 59.04 65 A 1 ATOM 512 C CD1 . LEU A 0 65 . -20.643 -5.863 14.079 1.00 59.04 65 A 1 ATOM 513 C CD2 . LEU A 0 65 . -18.479 -5.011 13.356 1.00 59.04 65 A 1 ATOM 514 N N . GLY A 0 66 . -22.189 -1.326 10.786 1.00 59.17 66 A 1 ATOM 515 C CA . GLY A 0 66 . -21.966 -0.093 10.029 1.00 59.17 66 A 1 ATOM 516 C C . GLY A 0 66 . -21.794 1.144 10.913 1.00 59.17 66 A 1 ATOM 517 O O . GLY A 0 66 . -20.918 1.968 10.644 1.00 59.17 66 A 1 ATOM 518 N N . GLU A 0 67 . -22.556 1.240 12.003 1.00 60.63 67 A 1 ATOM 519 C CA . GLU A 0 67 . -22.498 2.379 12.925 1.00 60.63 67 A 1 ATOM 520 C C . GLU A 0 67 . -21.190 2.399 13.737 1.00 60.63 67 A 1 ATOM 521 C CB . GLU A 0 67 . -23.752 2.347 13.809 1.00 60.63 67 A 1 ATOM 522 O O . GLU A 0 67 . -20.502 3.420 13.793 1.00 60.63 67 A 1 ATOM 523 C CG . GLU A 0 67 . -23.965 3.675 14.548 1.00 60.63 67 A 1 ATOM 524 C CD . GLU A 0 67 . -25.324 3.753 15.262 1.00 60.63 67 A 1 ATOM 525 O OE1 . GLU A 0 67 . -25.738 4.894 15.565 1.00 60.63 67 A 1 ATOM 526 O OE2 . GLU A 0 67 . -25.921 2.685 15.512 1.00 60.63 67 A 1 ATOM 527 N N . LYS A 0 68 . -20.751 1.244 14.261 1.00 62.89 68 A 1 ATOM 528 C CA . LYS A 0 68 . -19.476 1.132 15.000 1.00 62.89 68 A 1 ATOM 529 C C . LYS A 0 68 . -18.264 1.430 14.127 1.00 62.89 68 A 1 ATOM 530 C CB . LYS A 0 68 . -19.337 -0.267 15.619 1.00 62.89 68 A 1 ATOM 531 O O . LYS A 0 68 . -17.274 1.981 14.601 1.00 62.89 68 A 1 ATOM 532 C CG . LYS A 0 68 . -20.079 -0.349 16.956 1.00 62.89 68 A 1 ATOM 533 C CD . LYS A 0 68 . -19.974 -1.759 17.545 1.00 62.89 68 A 1 ATOM 534 C CE . LYS A 0 68 . -20.682 -1.788 18.902 1.00 62.89 68 A 1 ATOM 535 N NZ . LYS A 0 68 . -20.802 -3.171 19.422 1.00 62.89 68 A 1 ATOM 536 N N . ILE A 0 69 . -18.314 1.062 12.853 1.00 64.23 69 A 1 ATOM 537 C CA . ILE A 0 69 . -17.183 1.260 11.941 1.00 64.23 69 A 1 ATOM 538 C C . ILE A 0 69 . -17.072 2.704 11.507 1.00 64.23 69 A 1 ATOM 539 C CB . ILE A 0 69 . -17.316 0.327 10.743 1.00 64.23 69 A 1 ATOM 540 O O . ILE A 0 69 . -15.952 3.200 11.411 1.00 64.23 69 A 1 ATOM 541 C CG1 . ILE A 0 69 . -17.108 -1.092 11.277 1.00 64.23 69 A 1 ATOM 542 C CG2 . ILE A 0 69 . -16.311 0.628 9.614 1.00 64.23 69 A 1 ATOM 543 C CD1 . ILE A 0 69 . -17.854 -2.041 10.385 1.00 64.23 69 A 1 ATOM 544 N N . ALA A 0 70 . -18.198 3.387 11.292 1.00 65.55 70 A 1 ATOM 545 C CA . ALA A 0 70 . -18.198 4.827 11.079 1.00 65.55 70 A 1 ATOM 546 C C . ALA A 0 70 . -17.529 5.538 12.262 1.00 65.55 70 A 1 ATOM 547 C CB . ALA A 0 70 . -19.640 5.295 10.863 1.00 65.55 70 A 1 ATOM 548 O O . ALA A 0 70 . -16.654 6.376 12.053 1.00 65.55 70 A 1 ATOM 549 N N . ASP A 0 71 . -17.847 5.128 13.489 1.00 67.21 71 A 1 ATOM 550 C CA . ASP A 0 71 . -17.271 5.727 14.690 1.00 67.21 71 A 1 ATOM 551 C C . ASP A 0 71 . -15.758 5.447 14.811 1.00 67.21 71 A 1 ATOM 552 C CB . ASP A 0 71 . -18.081 5.235 15.904 1.00 67.21 71 A 1 ATOM 553 O O . ASP A 0 71 . -14.946 6.352 15.025 1.00 67.21 71 A 1 ATOM 554 C CG . ASP A 0 71 . -18.207 6.278 17.017 1.00 67.21 71 A 1 ATOM 555 O OD1 . ASP A 0 71 . -17.965 7.479 16.748 1.00 67.21 71 A 1 ATOM 556 O OD2 . ASP A 0 71 . -18.521 5.853 18.149 1.00 67.21 71 A 1 ATOM 557 N N . VAL A 0 72 . -15.327 4.210 14.534 1.00 70.53 72 A 1 ATOM 558 C CA . VAL A 0 72 . -13.898 3.847 14.482 1.00 70.53 72 A 1 ATOM 559 C C . VAL A 0 72 . -13.160 4.605 13.369 1.00 70.53 72 A 1 ATOM 560 C CB . VAL A 0 72 . -13.730 2.320 14.345 1.00 70.53 72 A 1 ATOM 561 O O . VAL A 0 72 . -12.046 5.086 13.593 1.00 70.53 72 A 1 ATOM 562 C CG1 . VAL A 0 72 . -12.275 1.899 14.103 1.00 70.53 72 A 1 ATOM 563 C CG2 . VAL A 0 72 . -14.173 1.599 15.623 1.00 70.53 72 A 1 ATOM 564 N N . LEU A 0 73 . -13.765 4.767 12.188 1.00 71.69 73 A 1 ATOM 565 C CA . LEU A 0 73 . -13.220 5.560 11.078 1.00 71.69 73 A 1 ATOM 566 C C . LEU A 0 73 . -13.073 7.029 11.460 1.00 71.69 73 A 1 ATOM 567 C CB . LEU A 0 73 . -14.120 5.428 9.834 1.00 71.69 73 A 1 ATOM 568 O O . LEU A 0 73 . -12.037 7.622 11.172 1.00 71.69 73 A 1 ATOM 569 C CG . LEU A 0 73 . -13.614 4.357 8.854 1.00 71.69 73 A 1 ATOM 570 C CD1 . LEU A 0 73 . -14.768 3.689 8.119 1.00 71.69 73 A 1 ATOM 571 C CD2 . LEU A 0 73 . -12.699 4.988 7.800 1.00 71.69 73 A 1 ATOM 572 N N . VAL A 0 74 . -14.059 7.609 12.144 1.00 73.58 74 A 1 ATOM 573 C CA . VAL A 0 74 . -13.992 8.985 12.651 1.00 73.58 74 A 1 ATOM 574 C C . VAL A 0 74 . -12.843 9.131 13.649 1.00 73.58 74 A 1 ATOM 575 C CB . VAL A 0 74 . -15.345 9.396 13.268 1.00 73.58 74 A 1 ATOM 576 O O . VAL A 0 74 . -12.072 10.089 13.564 1.00 73.58 74 A 1 ATOM 577 C CG1 . VAL A 0 74 . -15.253 10.712 14.057 1.00 73.58 74 A 1 ATOM 578 C CG2 . VAL A 0 74 . -16.392 9.609 12.168 1.00 73.58 74 A 1 ATOM 579 N N . VAL A 0 75 . -12.665 8.173 14.562 1.00 75.19 75 A 1 ATOM 580 C CA . VAL A 0 75 . -11.542 8.177 15.515 1.00 75.19 75 A 1 ATOM 581 C C . VAL A 0 75 . -10.193 8.050 14.795 1.00 75.19 75 A 1 ATOM 582 C CB . VAL A 0 75 . -11.727 7.074 16.576 1.00 75.19 75 A 1 ATOM 583 O O . VAL A 0 75 . -9.242 8.765 15.133 1.00 75.19 75 A 1 ATOM 584 C CG1 . VAL A 0 75 . -10.500 6.942 17.492 1.00 75.19 75 A 1 ATOM 585 C CG2 . VAL A 0 75 . -12.924 7.388 17.482 1.00 75.19 75 A 1 ATOM 586 N N . LEU A 0 76 . -10.095 7.184 13.784 1.00 71.39 76 A 1 ATOM 587 C CA . LEU A 0 76 . -8.894 7.019 12.960 1.00 71.39 76 A 1 ATOM 588 C C . LEU A 0 76 . -8.571 8.288 12.163 1.00 71.39 76 A 1 ATOM 589 C CB . LEU A 0 76 . -9.081 5.810 12.027 1.00 71.39 76 A 1 ATOM 590 O O . LEU A 0 76 . -7.424 8.734 12.183 1.00 71.39 76 A 1 ATOM 591 C CG . LEU A 0 76 . -8.707 4.477 12.696 1.00 71.39 76 A 1 ATOM 592 C CD1 . LEU A 0 76 . -9.431 3.325 12.009 1.00 71.39 76 A 1 ATOM 593 C CD2 . LEU A 0 76 . -7.201 4.217 12.593 1.00 71.39 76 A 1 ATOM 594 N N . LEU A 0 77 . -9.570 8.908 11.531 1.00 75.40 77 A 1 ATOM 595 C CA . LEU A 0 77 . -9.431 10.171 10.802 1.00 75.40 77 A 1 ATOM 596 C C . LEU A 0 77 . -8.974 11.301 11.725 1.00 75.40 77 A 1 ATOM 597 C CB . LEU A 0 77 . -10.766 10.532 10.127 1.00 75.40 77 A 1 ATOM 598 O O . LEU A 0 77 . -8.043 12.024 11.384 1.00 75.40 77 A 1 ATOM 599 C CG . LEU A 0 77 . -11.035 9.755 8.826 1.00 75.40 77 A 1 ATOM 600 C CD1 . LEU A 0 77 . -12.494 9.939 8.409 1.00 75.40 77 A 1 ATOM 601 C CD2 . LEU A 0 77 . -10.146 10.250 7.681 1.00 75.40 77 A 1 ATOM 602 N N . LYS A 0 78 . -9.543 11.411 12.932 1.00 78.63 78 A 1 ATOM 603 C CA . LYS A 0 78 . -9.089 12.386 13.938 1.00 78.63 78 A 1 ATOM 604 C C . LYS A 0 78 . -7.619 12.180 14.314 1.00 78.63 78 A 1 ATOM 605 C CB . LYS A 0 78 . -9.988 12.323 15.184 1.00 78.63 78 A 1 ATOM 606 O O . LYS A 0 78 . -6.870 13.152 14.399 1.00 78.63 78 A 1 ATOM 607 C CG . LYS A 0 78 . -11.330 13.041 14.975 1.00 78.63 78 A 1 ATOM 608 C CD . LYS A 0 78 . -12.217 12.913 16.223 1.00 78.63 78 A 1 ATOM 609 C CE . LYS A 0 78 . -13.551 13.642 16.009 1.00 78.63 78 A 1 ATOM 610 N NZ . LYS A 0 78 . -14.477 13.475 17.160 1.00 78.63 78 A 1 ATOM 611 N N . ARG A 0 79 . -7.171 10.931 14.509 1.00 78.91 79 A 1 ATOM 612 C CA . ARG A 0 79 . -5.748 10.638 14.782 1.00 78.91 79 A 1 ATOM 613 C C . ARG A 0 79 . -4.850 10.966 13.596 1.00 78.91 79 A 1 ATOM 614 C CB . ARG A 0 79 . -5.534 9.171 15.172 1.00 78.91 79 A 1 ATOM 615 O O . ARG A 0 79 . -3.757 11.486 13.806 1.00 78.91 79 A 1 ATOM 616 C CG . ARG A 0 79 . -5.942 8.882 16.616 1.00 78.91 79 A 1 ATOM 617 C CD . ARG A 0 79 . -5.553 7.445 16.978 1.00 78.91 79 A 1 ATOM 618 N NE . ARG A 0 79 . -6.236 7.009 18.207 1.00 78.91 79 A 1 ATOM 619 N NH1 . ARG A 0 79 . -5.016 5.100 18.605 1.00 78.91 79 A 1 ATOM 620 N NH2 . ARG A 0 79 . -6.746 5.601 19.919 1.00 78.91 79 A 1 ATOM 621 C CZ . ARG A 0 79 . -5.993 5.911 18.902 1.00 78.91 79 A 1 ATOM 622 N N . LEU A 0 80 . -5.286 10.654 12.378 1.00 72.97 80 A 1 ATOM 623 C CA . LEU A 0 80 . -4.530 10.945 11.162 1.00 72.97 80 A 1 ATOM 624 C C . LEU A 0 80 . -4.397 12.451 10.938 1.00 72.97 80 A 1 ATOM 625 C CB . LEU A 0 80 . -5.185 10.244 9.962 1.00 72.97 80 A 1 ATOM 626 O O . LEU A 0 80 . -3.277 12.918 10.755 1.00 72.97 80 A 1 ATOM 627 C CG . LEU A 0 80 . -4.903 8.733 9.908 1.00 72.97 80 A 1 ATOM 628 C CD1 . LEU A 0 80 . -5.830 8.071 8.892 1.00 72.97 80 A 1 ATOM 629 C CD2 . LEU A 0 80 . -3.454 8.437 9.503 1.00 72.97 80 A 1 ATOM 630 N N . ASN A 0 81 . -5.485 13.213 11.066 1.00 79.59 81 A 1 ATOM 631 C CA . ASN A 0 81 . -5.444 14.673 10.987 1.00 79.59 81 A 1 ATOM 632 C C . ASN A 0 81 . -4.505 15.260 12.039 1.00 79.59 81 A 1 ATOM 633 C CB . ASN A 0 81 . -6.862 15.254 11.113 1.00 79.59 81 A 1 ATOM 634 O O . ASN A 0 81 . -3.640 16.051 11.690 1.00 79.59 81 A 1 ATOM 635 C CG . ASN A 0 81 . -7.638 15.192 9.810 1.00 79.59 81 A 1 ATOM 636 N ND2 . ASN A 0 81 . -8.886 15.594 9.821 1.00 79.59 81 A 1 ATOM 637 O OD1 . ASN A 0 81 . -7.145 14.803 8.766 1.00 79.59 81 A 1 ATOM 638 N N . LYS A 0 82 . -4.563 14.788 13.290 1.00 81.05 82 A 1 ATOM 639 C CA . LYS A 0 82 . -3.633 15.237 14.337 1.00 81.05 82 A 1 ATOM 640 C C . LYS A 0 82 . -2.163 14.956 13.988 1.00 81.05 82 A 1 ATOM 641 C CB . LYS A 0 82 . -4.048 14.596 15.668 1.00 81.05 82 A 1 ATOM 642 O O . LYS A 0 82 . -1.287 15.757 14.299 1.00 81.05 82 A 1 ATOM 643 C CG . LYS A 0 82 . -3.275 15.198 16.848 1.00 81.05 82 A 1 ATOM 644 C CD . LYS A 0 82 . -3.799 14.660 18.183 1.00 81.05 82 A 1 ATOM 645 C CE . LYS A 0 82 . -3.054 15.364 19.322 1.00 81.05 82 A 1 ATOM 646 N NZ . LYS A 0 82 . -3.565 14.972 20.659 1.00 81.05 82 A 1 ATOM 647 N N . ARG A 0 83 . -1.865 13.823 13.338 1.00 79.30 83 A 1 ATOM 648 C CA . ARG A 0 83 . -0.504 13.510 12.861 1.00 79.30 83 A 1 ATOM 649 C C . ARG A 0 83 . -0.084 14.403 11.694 1.00 79.30 83 A 1 ATOM 650 C CB . ARG A 0 83 . -0.377 12.032 12.467 1.00 79.30 83 A 1 ATOM 651 O O . ARG A 0 83 . 1.063 14.835 11.678 1.00 79.30 83 A 1 ATOM 652 C CG . ARG A 0 83 . -0.351 11.101 13.686 1.00 79.30 83 A 1 ATOM 653 C CD . ARG A 0 83 . -0.184 9.637 13.259 1.00 79.30 83 A 1 ATOM 654 N NE . ARG A 0 83 . 1.178 9.365 12.755 1.00 79.30 83 A 1 ATOM 655 N NH1 . ARG A 0 83 . 0.815 7.246 11.946 1.00 79.30 83 A 1 ATOM 656 N NH2 . ARG A 0 83 . 2.853 8.143 11.814 1.00 79.30 83 A 1 ATOM 657 C CZ . ARG A 0 83 . 1.607 8.256 12.177 1.00 79.30 83 A 1 ATOM 658 N N . LEU A 0 84 . -0.986 14.680 10.754 1.00 77.79 84 A 1 ATOM 659 C CA . LEU A 0 84 . -0.728 15.576 9.625 1.00 77.79 84 A 1 ATOM 660 C C . LEU A 0 84 . -0.517 17.017 10.089 1.00 77.79 84 A 1 ATOM 661 C CB . LEU A 0 84 . -1.885 15.493 8.614 1.00 77.79 84 A 1 ATOM 662 O O . LEU A 0 84 . 0.438 17.648 9.657 1.00 77.79 84 A 1 ATOM 663 C CG . LEU A 0 84 . -1.916 14.194 7.791 1.00 77.79 84 A 1 ATOM 664 C CD1 . LEU A 0 84 . -3.207 14.140 6.974 1.00 77.79 84 A 1 ATOM 665 C CD2 . LEU A 0 84 . -0.734 14.097 6.823 1.00 77.79 84 A 1 ATOM 666 N N . GLU A 0 85 . -1.329 17.510 11.023 1.00 80.50 85 A 1 ATOM 667 C CA . GLU A 0 85 . -1.150 18.826 11.643 1.00 80.50 85 A 1 ATOM 668 C C . GLU A 0 85 . 0.191 18.930 12.371 1.00 80.50 85 A 1 ATOM 669 C CB . GLU A 0 85 . -2.275 19.089 12.650 1.00 80.50 85 A 1 ATOM 670 O O . GLU A 0 85 . 0.894 19.927 12.225 1.00 80.50 85 A 1 ATOM 671 C CG . GLU A 0 85 . -3.619 19.395 11.977 1.00 80.50 85 A 1 ATOM 672 C CD . GLU A 0 85 . -4.741 19.609 13.004 1.00 80.50 85 A 1 ATOM 673 O OE1 . GLU A 0 85 . -5.725 20.288 12.644 1.00 80.50 85 A 1 ATOM 674 O OE2 . GLU A 0 85 . -4.624 19.089 14.142 1.00 80.50 85 A 1 ATOM 675 N N . ASN A 0 86 . 0.584 17.892 13.116 1.00 77.08 86 A 1 ATOM 676 C CA . ASN A 0 86 . 1.894 17.858 13.763 1.00 77.08 86 A 1 ATOM 677 C C . ASN A 0 86 . 3.044 17.835 12.742 1.00 77.08 86 A 1 ATOM 678 C CB . ASN A 0 86 . 1.970 16.653 14.711 1.00 77.08 86 A 1 ATOM 679 O O . ASN A 0 86 . 4.047 18.509 12.952 1.00 77.08 86 A 1 ATOM 680 C CG . ASN A 0 86 . 1.206 16.830 16.011 1.00 77.08 86 A 1 ATOM 681 N ND2 . ASN A 0 86 . 1.276 15.844 16.875 1.00 77.08 86 A 1 ATOM 682 O OD1 . ASN A 0 86 . 0.598 17.841 16.320 1.00 77.08 86 A 1 ATOM 683 N N . CYS A 0 87 . 2.901 17.101 11.634 1.00 70.69 87 A 1 ATOM 684 C CA . CYS A 0 87 . 3.900 17.060 10.563 1.00 70.69 87 A 1 ATOM 685 C C . CYS A 0 87 . 4.008 18.407 9.831 1.00 70.69 87 A 1 ATOM 686 C CB . CYS A 0 87 . 3.531 15.926 9.598 1.00 70.69 87 A 1 ATOM 687 O O . CYS A 0 87 . 5.111 18.866 9.563 1.00 70.69 87 A 1 ATOM 688 S SG . CYS A 0 87 . 4.949 15.502 8.547 1.00 70.69 87 A 1 ATOM 689 N N . LEU A 0 88 . 2.879 19.072 9.567 1.00 71.91 88 A 1 ATOM 690 C CA . LEU A 0 88 . 2.835 20.391 8.927 1.00 71.91 88 A 1 ATOM 691 C C . LEU A 0 88 . 3.374 21.498 9.837 1.00 71.91 88 A 1 ATOM 692 C CB . LEU A 0 88 . 1.388 20.705 8.509 1.00 71.91 88 A 1 ATOM 693 O O . LEU A 0 88 . 4.030 22.420 9.364 1.00 71.91 88 A 1 ATOM 694 C CG . LEU A 0 88 . 0.928 19.970 7.238 1.00 71.91 88 A 1 ATOM 695 C CD1 . LEU A 0 88 . -0.586 20.119 7.084 1.00 71.91 88 A 1 ATOM 696 C CD2 . LEU A 0 88 . 1.591 20.541 5.982 1.00 71.91 88 A 1 ATOM 697 N N . LYS A 0 89 . 3.129 21.417 11.150 1.00 72.63 89 A 1 ATOM 698 C CA . LYS A 0 89 . 3.752 22.325 12.125 1.00 72.63 89 A 1 ATOM 699 C C . LYS A 0 89 . 5.255 22.089 12.236 1.00 72.63 89 A 1 ATOM 700 C CB . LYS A 0 89 . 3.082 22.190 13.495 1.00 72.63 89 A 1 ATOM 701 O O . LYS A 0 89 . 6.001 23.053 12.330 1.00 72.63 89 A 1 ATOM 702 C CG . LYS A 0 89 . 1.747 22.940 13.530 1.00 72.63 89 A 1 ATOM 703 C CD . LYS A 0 89 . 1.109 22.822 14.916 1.00 72.63 89 A 1 ATOM 704 C CE . LYS A 0 89 . -0.206 23.603 14.931 1.00 72.63 89 A 1 ATOM 705 N NZ . LYS A 0 89 . -0.866 23.527 16.255 1.00 72.63 89 A 1 ATOM 706 N N . SER A 0 90 . 5.688 20.828 12.186 1.00 64.15 90 A 1 ATOM 707 C CA . SER A 0 90 . 7.107 20.462 12.157 1.00 64.15 90 A 1 ATOM 708 C C . SER A 0 90 . 7.818 20.969 10.903 1.00 64.15 90 A 1 ATOM 709 C CB . SER A 0 90 . 7.240 18.940 12.232 1.00 64.15 90 A 1 ATOM 710 O O . SER A 0 90 . 8.990 21.295 10.995 1.00 64.15 90 A 1 ATOM 711 O OG . SER A 0 90 . 8.585 18.519 12.194 1.00 64.15 90 A 1 ATOM 712 N N . SER A 0 91 . 7.136 21.046 9.756 1.00 59.04 91 A 1 ATOM 713 C CA . SER A 0 91 . 7.739 21.484 8.491 1.00 59.04 91 A 1 ATOM 714 C C . SER A 0 91 . 7.690 22.998 8.249 1.00 59.04 91 A 1 ATOM 715 C CB . SER A 0 91 . 7.091 20.735 7.322 1.00 59.04 91 A 1 ATOM 716 O O . SER A 0 91 . 8.201 23.449 7.235 1.00 59.04 91 A 1 ATOM 717 O OG . SER A 0 91 . 5.761 21.175 7.107 1.00 59.04 91 A 1 ATOM 718 N N . ASN A 0 92 . 7.036 23.784 9.114 1.00 58.39 92 A 1 ATOM 719 C CA . ASN A 0 92 . 7.007 25.258 9.032 1.00 58.39 92 A 1 ATOM 720 C C . ASN A 0 92 . 7.978 25.927 10.028 1.00 58.39 92 A 1 ATOM 721 C CB . ASN A 0 92 . 5.559 25.767 9.200 1.00 58.39 92 A 1 ATOM 722 O O . ASN A 0 92 . 7.888 27.131 10.257 1.00 58.39 92 A 1 ATOM 723 C CG . ASN A 0 92 . 4.766 25.729 7.911 1.00 58.39 92 A 1 ATOM 724 N ND2 . ASN A 0 92 . 3.970 24.711 7.696 1.00 58.39 92 A 1 ATOM 725 O OD1 . ASN A 0 92 . 4.818 26.618 7.083 1.00 58.39 92 A 1 ATOM 726 N N . LEU A 0 93 . 8.857 25.149 10.665 1.00 53.46 93 A 1 ATOM 727 C CA . LEU A 0 93 . 9.803 25.613 11.687 1.00 53.46 93 A 1 ATOM 728 C C . LEU A 0 93 . 11.275 25.402 11.287 1.00 53.46 93 A 1 ATOM 729 C CB . LEU A 0 93 . 9.405 24.994 13.049 1.00 53.46 93 A 1 ATOM 730 O O . LEU A 0 93 . 12.152 25.561 12.132 1.00 53.46 93 A 1 ATOM 731 C CG . LEU A 0 93 . 8.999 26.055 14.092 1.00 53.46 93 A 1 ATOM 732 C CD1 . LEU A 0 93 . 7.905 25.513 15.014 1.00 53.46 93 A 1 ATOM 733 C CD2 . LEU A 0 93 . 10.185 26.481 14.959 1.00 53.46 93 A 1 ATOM 734 N N . GLU A 0 94 . 11.530 25.098 10.012 1.00 40.87 94 A 1 ATOM 735 C CA . GLU A 0 94 . 12.857 25.103 9.376 1.00 40.87 94 A 1 ATOM 736 C C . GLU A 0 94 . 12.930 26.160 8.270 1.00 40.87 94 A 1 ATOM 737 C CB . GLU A 0 94 . 13.229 23.703 8.850 1.00 40.87 94 A 1 ATOM 738 O O . GLU A 0 94 . 11.901 26.366 7.582 1.00 40.87 94 A 1 ATOM 739 C CG . GLU A 0 94 . 13.595 22.725 9.979 1.00 40.87 94 A 1 ATOM 740 C CD . GLU A 0 94 . 14.071 21.359 9.442 1.00 40.87 94 A 1 ATOM 741 O OE1 . GLU A 0 94 . 15.286 21.062 9.557 1.00 40.87 94 A 1 ATOM 742 O OE2 . GLU A 0 94 . 13.213 20.575 8.966 1.00 40.87 94 A 1 ATOM 743 O OXT . GLU A 0 94 . 14.013 26.775 8.173 1.00 40.87 94 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 68.71 # loop_ _atom_type.symbol C N O S #