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 LEU 0 3 GLN 0 4 LEU 0 5 TYR 0 6 PRO 0 7 SER 0 8 VAL 0 9 CYS 0 10 SER 0 11 PRO 0 12 ARG 0 13 SER 0 14 PHE 0 15 ILE 0 16 MET 0 17 LEU 0 18 ALA 0 19 ALA 0 20 SER 0 21 ASP 0 22 PRO 0 23 ARG 0 24 ARG 0 25 PRO 0 26 ASN 0 27 LYS 0 28 LEU 0 29 ARG 0 30 ARG 0 31 PHE 0 32 VAL 0 33 PRO 0 34 LEU 0 35 SER 0 36 GLN 0 37 ASP 0 38 ALA 0 39 PRO 0 40 SER 0 41 LEU 0 42 ASP 0 43 GLN 0 44 THR 0 45 ILE 0 46 ASP 0 47 TYR 0 48 LEU 0 49 ASN 0 50 PHE 0 51 PHE 0 52 GLY 0 53 ILE 0 54 VAL 0 55 LEU 0 56 SER 0 57 MET 0 58 CYS 0 59 GLY 0 60 LEU 0 61 LEU 0 62 PHE 0 63 GLU 0 64 MET 0 65 LYS 0 66 PHE 0 67 ALA 0 68 ALA 0 69 TRP 0 70 LEU 0 71 ALA 0 72 VAL 0 73 VAL 0 74 CYS 0 75 ALA 0 76 PHE 0 77 ILE 0 78 THR 0 79 TYR 0 80 ALA 0 81 ASN 0 82 SER 0 83 ARG 0 84 THR 0 85 GLY 0 86 GLU 0 87 ASP 0 88 THR 0 89 LYS 0 90 GLN 0 91 LEU 0 92 ILE 0 93 SER 0 94 GLY 0 95 PHE 0 96 MET 0 97 LEU 0 98 SER 0 99 ILE 0 100 SER 0 101 ALA 0 102 LEU 0 103 ILE 0 104 ILE 0 105 CYS 0 106 TYR 0 107 MET 0 108 HIS 0 109 ASN 0 110 PRO 0 111 GLN 0 112 PRO 0 113 MET 0 114 GLN 0 115 LEU 0 116 PRO 0 117 TRP # 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 . 18.630 35.262 -26.343 1.00 42.47 1 A 1 ATOM 2 C CA . MET A 0 1 . 19.093 35.698 -25.009 1.00 42.47 1 A 1 ATOM 3 C C . MET A 0 1 . 20.009 34.594 -24.497 1.00 42.47 1 A 1 ATOM 4 C CB . MET A 0 1 . 17.878 35.964 -24.100 1.00 42.47 1 A 1 ATOM 5 O O . MET A 0 1 . 19.548 33.465 -24.465 1.00 42.47 1 A 1 ATOM 6 C CG . MET A 0 1 . 18.219 36.576 -22.738 1.00 42.47 1 A 1 ATOM 7 S SD . MET A 0 1 . 16.754 36.844 -21.699 1.00 42.47 1 A 1 ATOM 8 C CE . MET A 0 1 . 16.350 38.581 -22.035 1.00 42.47 1 A 1 ATOM 9 N N . LEU A 0 2 . 21.273 34.932 -24.210 1.00 38.95 2 A 1 ATOM 10 C CA . LEU A 0 2 . 22.489 34.100 -24.057 1.00 38.95 2 A 1 ATOM 11 C C . LEU A 0 2 . 23.244 33.798 -25.384 1.00 38.95 2 A 1 ATOM 12 C CB . LEU A 0 2 . 22.242 32.807 -23.236 1.00 38.95 2 A 1 ATOM 13 O O . LEU A 0 2 . 22.794 32.936 -26.120 1.00 38.95 2 A 1 ATOM 14 C CG . LEU A 0 2 . 21.748 33.007 -21.790 1.00 38.95 2 A 1 ATOM 15 C CD1 . LEU A 0 2 . 21.090 31.732 -21.264 1.00 38.95 2 A 1 ATOM 16 C CD2 . LEU A 0 2 . 22.906 33.365 -20.857 1.00 38.95 2 A 1 ATOM 17 N N . GLN A 0 3 . 24.349 34.411 -25.854 1.00 38.58 3 A 1 ATOM 18 C CA . GLN A 0 3 . 25.352 35.373 -25.343 1.00 38.58 3 A 1 ATOM 19 C C . GLN A 0 3 . 25.888 35.036 -23.940 1.00 38.58 3 A 1 ATOM 20 C CB . GLN A 0 3 . 24.835 36.825 -25.445 1.00 38.58 3 A 1 ATOM 21 O O . GLN A 0 3 . 25.183 35.167 -22.959 1.00 38.58 3 A 1 ATOM 22 C CG . GLN A 0 3 . 24.801 37.387 -26.884 1.00 38.58 3 A 1 ATOM 23 C CD . GLN A 0 3 . 26.155 37.860 -27.415 1.00 38.58 3 A 1 ATOM 24 N NE2 . GLN A 0 3 . 26.455 37.670 -28.682 1.00 38.58 3 A 1 ATOM 25 O OE1 . GLN A 0 3 . 26.960 38.432 -26.710 1.00 38.58 3 A 1 ATOM 26 N N . LEU A 0 4 . 27.135 34.680 -23.684 1.00 40.32 4 A 1 ATOM 27 C CA . LEU A 0 4 . 28.386 34.804 -24.408 1.00 40.32 4 A 1 ATOM 28 C C . LEU A 0 4 . 29.411 34.263 -23.395 1.00 40.32 4 A 1 ATOM 29 C CB . LEU A 0 4 . 28.645 36.319 -24.612 1.00 40.32 4 A 1 ATOM 30 O O . LEU A 0 4 . 29.394 34.732 -22.266 1.00 40.32 4 A 1 ATOM 31 C CG . LEU A 0 4 . 29.888 36.671 -25.439 1.00 40.32 4 A 1 ATOM 32 C CD1 . LEU A 0 4 . 29.595 36.674 -26.940 1.00 40.32 4 A 1 ATOM 33 C CD2 . LEU A 0 4 . 30.448 38.037 -25.053 1.00 40.32 4 A 1 ATOM 34 N N . TYR A 0 5 . 30.280 33.319 -23.750 1.00 37.07 5 A 1 ATOM 35 C CA . TYR A 0 5 . 31.648 33.296 -23.209 1.00 37.07 5 A 1 ATOM 36 C C . TYR A 0 5 . 32.542 32.415 -24.098 1.00 37.07 5 A 1 ATOM 37 C CB . TYR A 0 5 . 31.736 32.915 -21.708 1.00 37.07 5 A 1 ATOM 38 O O . TYR A 0 5 . 32.649 31.207 -23.892 1.00 37.07 5 A 1 ATOM 39 C CG . TYR A 0 5 . 32.406 34.009 -20.880 1.00 37.07 5 A 1 ATOM 40 C CD1 . TYR A 0 5 . 33.812 34.091 -20.805 1.00 37.07 5 A 1 ATOM 41 C CD2 . TYR A 0 5 . 31.625 34.981 -20.223 1.00 37.07 5 A 1 ATOM 42 C CE1 . TYR A 0 5 . 34.427 35.144 -20.096 1.00 37.07 5 A 1 ATOM 43 C CE2 . TYR A 0 5 . 32.232 36.048 -19.538 1.00 37.07 5 A 1 ATOM 44 O OH . TYR A 0 5 . 34.210 37.163 -18.797 1.00 37.07 5 A 1 ATOM 45 C CZ . TYR A 0 5 . 33.634 36.133 -19.470 1.00 37.07 5 A 1 ATOM 46 N N . PRO A 0 6 . 33.180 32.994 -25.129 1.00 42.30 6 A 1 ATOM 47 C CA . PRO A 0 6 . 34.358 32.421 -25.751 1.00 42.30 6 A 1 ATOM 48 C C . PRO A 0 6 . 35.567 32.782 -24.879 1.00 42.30 6 A 1 ATOM 49 C CB . PRO A 0 6 . 34.415 33.060 -27.140 1.00 42.30 6 A 1 ATOM 50 O O . PRO A 0 6 . 35.884 33.948 -24.663 1.00 42.30 6 A 1 ATOM 51 C CG . PRO A 0 6 . 33.826 34.455 -26.917 1.00 42.30 6 A 1 ATOM 52 C CD . PRO A 0 6 . 32.878 34.286 -25.728 1.00 42.30 6 A 1 ATOM 53 N N . SER A 0 7 . 36.267 31.789 -24.356 1.00 46.38 7 A 1 ATOM 54 C CA . SER A 0 7 . 37.616 31.978 -23.817 1.00 46.38 7 A 1 ATOM 55 C C . SER A 0 7 . 38.443 30.761 -24.182 1.00 46.38 7 A 1 ATOM 56 C CB . SER A 0 7 . 37.607 32.324 -22.327 1.00 46.38 7 A 1 ATOM 57 O O . SER A 0 7 . 38.799 29.916 -23.370 1.00 46.38 7 A 1 ATOM 58 O OG . SER A 0 7 . 37.229 33.682 -22.189 1.00 46.38 7 A 1 ATOM 59 N N . VAL A 0 8 . 38.726 30.700 -25.481 1.00 46.36 8 A 1 ATOM 60 C CA . VAL A 0 8 . 39.890 30.024 -26.040 1.00 46.36 8 A 1 ATOM 61 C C . VAL A 0 8 . 41.112 30.783 -25.517 1.00 46.36 8 A 1 ATOM 62 C CB . VAL A 0 8 . 39.806 30.044 -27.585 1.00 46.36 8 A 1 ATOM 63 O O . VAL A 0 8 . 41.581 31.725 -26.146 1.00 46.36 8 A 1 ATOM 64 C CG1 . VAL A 0 8 . 41.026 29.389 -28.244 1.00 46.36 8 A 1 ATOM 65 C CG2 . VAL A 0 8 . 38.556 29.300 -28.078 1.00 46.36 8 A 1 ATOM 66 N N . CYS A 0 9 . 41.597 30.428 -24.328 1.00 48.25 9 A 1 ATOM 67 C CA . CYS A 0 9 . 42.879 30.907 -23.825 1.00 48.25 9 A 1 ATOM 68 C C . CYS A 0 9 . 43.836 29.717 -23.676 1.00 48.25 9 A 1 ATOM 69 C CB . CYS A 0 9 . 42.696 31.757 -22.560 1.00 48.25 9 A 1 ATOM 70 O O . CYS A 0 9 . 43.846 29.021 -22.670 1.00 48.25 9 A 1 ATOM 71 S SG . CYS A 0 9 . 44.085 32.927 -22.455 1.00 48.25 9 A 1 ATOM 72 N N . SER A 0 10 . 44.618 29.517 -24.741 1.00 41.23 10 A 1 ATOM 73 C CA . SER A 0 10 . 45.964 28.928 -24.779 1.00 41.23 10 A 1 ATOM 74 C C . SER A 0 10 . 46.182 27.473 -24.292 1.00 41.23 10 A 1 ATOM 75 C CB . SER A 0 10 . 46.924 29.880 -24.067 1.00 41.23 10 A 1 ATOM 76 O O . SER A 0 10 . 46.268 27.216 -23.094 1.00 41.23 10 A 1 ATOM 77 O OG . SER A 0 10 . 48.240 29.634 -24.524 1.00 41.23 10 A 1 ATOM 78 N N . PRO A 0 11 . 46.443 26.516 -25.212 1.00 47.82 11 A 1 ATOM 79 C CA . PRO A 0 11 . 46.794 25.130 -24.881 1.00 47.82 11 A 1 ATOM 80 C C . PRO A 0 11 . 48.299 24.860 -24.636 1.00 47.82 11 A 1 ATOM 81 C CB . PRO A 0 11 . 46.195 24.293 -26.023 1.00 47.82 11 A 1 ATOM 82 O O . PRO A 0 11 . 48.725 23.709 -24.713 1.00 47.82 11 A 1 ATOM 83 C CG . PRO A 0 11 . 46.112 25.237 -27.223 1.00 47.82 11 A 1 ATOM 84 C CD . PRO A 0 11 . 46.206 26.648 -26.644 1.00 47.82 11 A 1 ATOM 85 N N . ARG A 0 12 . 49.155 25.859 -24.364 1.00 46.57 12 A 1 ATOM 86 C CA . ARG A 0 12 . 50.618 25.679 -24.545 1.00 46.57 12 A 1 ATOM 87 C C . ARG A 0 12 . 51.507 25.348 -23.336 1.00 46.57 12 A 1 ATOM 88 C CB . ARG A 0 12 . 51.194 26.780 -25.456 1.00 46.57 12 A 1 ATOM 89 O O . ARG A 0 12 . 52.678 25.080 -23.572 1.00 46.57 12 A 1 ATOM 90 C CG . ARG A 0 12 . 51.628 26.163 -26.796 1.00 46.57 12 A 1 ATOM 91 C CD . ARG A 0 12 . 52.221 27.215 -27.735 1.00 46.57 12 A 1 ATOM 92 N NE . ARG A 0 12 . 52.694 26.604 -28.993 1.00 46.57 12 A 1 ATOM 93 N NH1 . ARG A 0 12 . 53.664 28.484 -29.885 1.00 46.57 12 A 1 ATOM 94 N NH2 . ARG A 0 12 . 53.752 26.562 -31.012 1.00 46.57 12 A 1 ATOM 95 C CZ . ARG A 0 12 . 53.364 27.216 -29.953 1.00 46.57 12 A 1 ATOM 96 N N . SER A 0 13 . 51.000 25.252 -22.103 1.00 46.02 13 A 1 ATOM 97 C CA . SER A 0 13 . 51.869 24.975 -20.931 1.00 46.02 13 A 1 ATOM 98 C C . SER A 0 13 . 51.485 23.773 -20.064 1.00 46.02 13 A 1 ATOM 99 C CB . SER A 0 13 . 52.079 26.232 -20.077 1.00 46.02 13 A 1 ATOM 100 O O . SER A 0 13 . 52.070 23.594 -19.002 1.00 46.02 13 A 1 ATOM 101 O OG . SER A 0 13 . 52.854 27.164 -20.803 1.00 46.02 13 A 1 ATOM 102 N N . PHE A 0 14 . 50.557 22.909 -20.490 1.00 53.86 14 A 1 ATOM 103 C CA . PHE A 0 14 . 50.182 21.738 -19.677 1.00 53.86 14 A 1 ATOM 104 C C . PHE A 0 14 . 50.963 20.451 -20.005 1.00 53.86 14 A 1 ATOM 105 C CB . PHE A 0 14 . 48.661 21.541 -19.693 1.00 53.86 14 A 1 ATOM 106 O O . PHE A 0 14 . 50.873 19.468 -19.274 1.00 53.86 14 A 1 ATOM 107 C CG . PHE A 0 14 . 48.153 20.956 -18.388 1.00 53.86 14 A 1 ATOM 108 C CD1 . PHE A 0 14 . 47.911 19.575 -18.264 1.00 53.86 14 A 1 ATOM 109 C CD2 . PHE A 0 14 . 47.983 21.796 -17.270 1.00 53.86 14 A 1 ATOM 110 C CE1 . PHE A 0 14 . 47.501 19.038 -17.031 1.00 53.86 14 A 1 ATOM 111 C CE2 . PHE A 0 14 . 47.569 21.259 -16.038 1.00 53.86 14 A 1 ATOM 112 C CZ . PHE A 0 14 . 47.329 19.880 -15.919 1.00 53.86 14 A 1 ATOM 113 N N . ILE A 0 15 . 51.772 20.433 -21.073 1.00 53.40 15 A 1 ATOM 114 C CA . ILE A 0 15 . 52.401 19.183 -21.537 1.00 53.40 15 A 1 ATOM 115 C C . ILE A 0 15 . 53.449 18.642 -20.545 1.00 53.40 15 A 1 ATOM 116 C CB . ILE A 0 15 . 52.916 19.319 -22.994 1.00 53.40 15 A 1 ATOM 117 O O . ILE A 0 15 . 53.603 17.430 -20.452 1.00 53.40 15 A 1 ATOM 118 C CG1 . ILE A 0 15 . 51.717 19.607 -23.934 1.00 53.40 15 A 1 ATOM 119 C CG2 . ILE A 0 15 . 53.658 18.049 -23.455 1.00 53.40 15 A 1 ATOM 120 C CD1 . ILE A 0 15 . 52.076 19.787 -25.415 1.00 53.40 15 A 1 ATOM 121 N N . MET A 0 16 . 54.115 19.478 -19.736 1.00 51.34 16 A 1 ATOM 122 C CA . MET A 0 16 . 55.118 18.958 -18.789 1.00 51.34 16 A 1 ATOM 123 C C . MET A 0 16 . 54.544 18.363 -17.496 1.00 51.34 16 A 1 ATOM 124 C CB . MET A 0 16 . 56.210 19.995 -18.493 1.00 51.34 16 A 1 ATOM 125 O O . MET A 0 16 . 55.205 17.516 -16.905 1.00 51.34 16 A 1 ATOM 126 C CG . MET A 0 16 . 57.301 19.937 -19.564 1.00 51.34 16 A 1 ATOM 127 S SD . MET A 0 16 . 58.706 21.025 -19.221 1.00 51.34 16 A 1 ATOM 128 C CE . MET A 0 16 . 59.526 20.971 -20.833 1.00 51.34 16 A 1 ATOM 129 N N . LEU A 0 17 . 53.329 18.725 -17.066 1.00 50.18 17 A 1 ATOM 130 C CA . LEU A 0 17 . 52.738 18.146 -15.845 1.00 50.18 17 A 1 ATOM 131 C C . LEU A 0 17 . 51.845 16.931 -16.114 1.00 50.18 17 A 1 ATOM 132 C CB . LEU A 0 17 . 52.024 19.238 -15.032 1.00 50.18 17 A 1 ATOM 133 O O . LEU A 0 17 . 51.599 16.144 -15.207 1.00 50.18 17 A 1 ATOM 134 C CG . LEU A 0 17 . 52.999 20.125 -14.233 1.00 50.18 17 A 1 ATOM 135 C CD1 . LEU A 0 17 . 52.254 21.344 -13.692 1.00 50.18 17 A 1 ATOM 136 C CD2 . LEU A 0 17 . 53.623 19.389 -13.041 1.00 50.18 17 A 1 ATOM 137 N N . ALA A 0 18 . 51.421 16.705 -17.358 1.00 53.52 18 A 1 ATOM 138 C CA . ALA A 0 18 . 50.602 15.539 -17.690 1.00 53.52 18 A 1 ATOM 139 C C . ALA A 0 18 . 51.368 14.201 -17.612 1.00 53.52 18 A 1 ATOM 140 C CB . ALA A 0 18 . 49.985 15.767 -19.072 1.00 53.52 18 A 1 ATOM 141 O O . ALA A 0 18 . 50.742 13.144 -17.572 1.00 53.52 18 A 1 ATOM 142 N N . ALA A 0 19 . 52.706 14.219 -17.560 1.00 54.16 19 A 1 ATOM 143 C CA . ALA A 0 19 . 53.501 12.999 -17.416 1.00 54.16 19 A 1 ATOM 144 C C . ALA A 0 19 . 53.378 12.348 -16.023 1.00 54.16 19 A 1 ATOM 145 C CB . ALA A 0 19 . 54.958 13.310 -17.779 1.00 54.16 19 A 1 ATOM 146 O O . ALA A 0 19 . 53.747 11.184 -15.874 1.00 54.16 19 A 1 ATOM 147 N N . SER A 0 20 . 52.852 13.055 -15.015 1.00 50.52 20 A 1 ATOM 148 C CA . SER A 0 20 . 52.716 12.531 -13.651 1.00 50.52 20 A 1 ATOM 149 C C . SER A 0 20 . 51.278 12.324 -13.187 1.00 50.52 20 A 1 ATOM 150 C CB . SER A 0 20 . 53.493 13.398 -12.658 1.00 50.52 20 A 1 ATOM 151 O O . SER A 0 20 . 51.094 11.951 -12.033 1.00 50.52 20 A 1 ATOM 152 O OG . SER A 0 20 . 52.970 14.708 -12.629 1.00 50.52 20 A 1 ATOM 153 N N . ASP A 0 21 . 50.264 12.503 -14.040 1.00 51.03 21 A 1 ATOM 154 C CA . ASP A 0 21 . 48.875 12.259 -13.643 1.00 51.03 21 A 1 ATOM 155 C C . ASP A 0 21 . 48.595 10.738 -13.637 1.00 51.03 21 A 1 ATOM 156 C CB . ASP A 0 21 . 47.908 13.067 -14.530 1.00 51.03 21 A 1 ATOM 157 O O . ASP A 0 21 . 48.489 10.116 -14.700 1.00 51.03 21 A 1 ATOM 158 C CG . ASP A 0 21 . 46.922 13.881 -13.687 1.00 51.03 21 A 1 ATOM 159 O OD1 . ASP A 0 21 . 46.204 13.251 -12.870 1.00 51.03 21 A 1 ATOM 160 O OD2 . ASP A 0 21 . 46.864 15.113 -13.889 1.00 51.03 21 A 1 ATOM 161 N N . PRO A 0 22 . 48.454 10.078 -12.468 1.00 54.50 22 A 1 ATOM 162 C CA . PRO A 0 22 . 48.247 8.630 -12.385 1.00 54.50 22 A 1 ATOM 163 C C . PRO A 0 22 . 46.808 8.231 -12.756 1.00 54.50 22 A 1 ATOM 164 C CB . PRO A 0 22 . 48.628 8.265 -10.950 1.00 54.50 22 A 1 ATOM 165 O O . PRO A 0 22 . 46.398 7.076 -12.596 1.00 54.50 22 A 1 ATOM 166 C CG . PRO A 0 22 . 48.183 9.495 -10.163 1.00 54.50 22 A 1 ATOM 167 C CD . PRO A 0 22 . 48.403 10.656 -11.130 1.00 54.50 22 A 1 ATOM 168 N N . ARG A 0 23 . 46.014 9.171 -13.279 1.00 52.31 23 A 1 ATOM 169 C CA . ARG A 0 23 . 44.700 8.917 -13.860 1.00 52.31 23 A 1 ATOM 170 C C . ARG A 0 23 . 44.873 8.302 -15.244 1.00 52.31 23 A 1 ATOM 171 C CB . ARG A 0 23 . 43.891 10.223 -13.885 1.00 52.31 23 A 1 ATOM 172 O O . ARG A 0 23 . 44.760 8.983 -16.254 1.00 52.31 23 A 1 ATOM 173 C CG . ARG A 0 23 . 43.433 10.612 -12.475 1.00 52.31 23 A 1 ATOM 174 C CD . ARG A 0 23 . 42.591 11.887 -12.529 1.00 52.31 23 A 1 ATOM 175 N NE . ARG A 0 23 . 41.937 12.149 -11.233 1.00 52.31 23 A 1 ATOM 176 N NH1 . ARG A 0 23 . 40.489 13.767 -11.965 1.00 52.31 23 A 1 ATOM 177 N NH2 . ARG A 0 23 . 40.458 13.152 -9.820 1.00 52.31 23 A 1 ATOM 178 C CZ . ARG A 0 23 . 40.968 13.016 -11.013 1.00 52.31 23 A 1 ATOM 179 N N . ARG A 0 24 . 45.123 6.988 -15.287 1.00 55.60 24 A 1 ATOM 180 C CA . ARG A 0 24 . 45.120 6.171 -16.516 1.00 55.60 24 A 1 ATOM 181 C C . ARG A 0 24 . 43.887 6.506 -17.383 1.00 55.60 24 A 1 ATOM 182 C CB . ARG A 0 24 . 45.095 4.673 -16.159 1.00 55.60 24 A 1 ATOM 183 O O . ARG A 0 24 . 42.793 6.031 -17.057 1.00 55.60 24 A 1 ATOM 184 C CG . ARG A 0 24 . 46.471 4.081 -15.828 1.00 55.60 24 A 1 ATOM 185 C CD . ARG A 0 24 . 46.320 2.568 -15.609 1.00 55.60 24 A 1 ATOM 186 N NE . ARG A 0 24 . 47.625 1.898 -15.451 1.00 55.60 24 A 1 ATOM 187 N NH1 . ARG A 0 24 . 47.011 -0.204 -16.164 1.00 55.60 24 A 1 ATOM 188 N NH2 . ARG A 0 24 . 49.113 0.176 -15.534 1.00 55.60 24 A 1 ATOM 189 C CZ . ARG A 0 24 . 47.908 0.633 -15.715 1.00 55.60 24 A 1 ATOM 190 N N . PRO A 0 25 . 44.032 7.224 -18.516 1.00 55.26 25 A 1 ATOM 191 C CA . PRO A 0 25 . 42.889 7.593 -19.354 1.00 55.26 25 A 1 ATOM 192 C C . PRO A 0 25 . 42.190 6.367 -19.958 1.00 55.26 25 A 1 ATOM 193 C CB . PRO A 0 25 . 43.447 8.548 -20.415 1.00 55.26 25 A 1 ATOM 194 O O . PRO A 0 25 . 40.998 6.406 -20.244 1.00 55.26 25 A 1 ATOM 195 C CG . PRO A 0 25 . 44.927 8.178 -20.502 1.00 55.26 25 A 1 ATOM 196 C CD . PRO A 0 25 . 45.268 7.761 -19.076 1.00 55.26 25 A 1 ATOM 197 N N . ASN A 0 26 . 42.883 5.227 -20.044 1.00 53.84 26 A 1 ATOM 198 C CA . ASN A 0 26 . 42.335 3.982 -20.586 1.00 53.84 26 A 1 ATOM 199 C C . ASN A 0 26 . 41.265 3.306 -19.711 1.00 53.84 26 A 1 ATOM 200 C CB . ASN A 0 26 . 43.504 3.032 -20.910 1.00 53.84 26 A 1 ATOM 201 O O . ASN A 0 26 . 40.709 2.290 -20.125 1.00 53.84 26 A 1 ATOM 202 C CG . ASN A 0 26 . 44.297 3.504 -22.115 1.00 53.84 26 A 1 ATOM 203 N ND2 . ASN A 0 26 . 45.562 3.171 -22.202 1.00 53.84 26 A 1 ATOM 204 O OD1 . ASN A 0 26 . 43.803 4.188 -22.986 1.00 53.84 26 A 1 ATOM 205 N N . LYS A 0 27 . 40.960 3.826 -18.512 1.00 53.86 27 A 1 ATOM 206 C CA . LYS A 0 27 . 39.857 3.316 -17.676 1.00 53.86 27 A 1 ATOM 207 C C . LYS A 0 27 . 38.781 4.359 -17.370 1.00 53.86 27 A 1 ATOM 208 C CB . LYS A 0 27 . 40.412 2.570 -16.448 1.00 53.86 27 A 1 ATOM 209 O O . LYS A 0 27 . 37.899 4.085 -16.560 1.00 53.86 27 A 1 ATOM 210 C CG . LYS A 0 27 . 39.438 1.496 -15.923 1.00 53.86 27 A 1 ATOM 211 C CD . LYS A 0 27 . 40.156 0.449 -15.060 1.00 53.86 27 A 1 ATOM 212 C CE . LYS A 0 27 . 39.162 -0.632 -14.610 1.00 53.86 27 A 1 ATOM 213 N NZ . LYS A 0 27 . 39.816 -1.706 -13.817 1.00 53.86 27 A 1 ATOM 214 N N . LEU A 0 28 . 38.784 5.506 -18.059 1.00 51.17 28 A 1 ATOM 215 C CA . LEU A 0 28 . 37.599 6.362 -18.120 1.00 51.17 28 A 1 ATOM 216 C C . LEU A 0 28 . 36.550 5.658 -18.990 1.00 51.17 28 A 1 ATOM 217 C CB . LEU A 0 28 . 37.928 7.787 -18.615 1.00 51.17 28 A 1 ATOM 218 O O . LEU A 0 28 . 36.389 5.927 -20.179 1.00 51.17 28 A 1 ATOM 219 C CG . LEU A 0 28 . 38.245 8.780 -17.482 1.00 51.17 28 A 1 ATOM 220 C CD1 . LEU A 0 28 . 39.672 8.629 -16.957 1.00 51.17 28 A 1 ATOM 221 C CD2 . LEU A 0 28 . 38.069 10.215 -17.978 1.00 51.17 28 A 1 ATOM 222 N N . ARG A 0 29 . 35.819 4.720 -18.386 1.00 56.17 29 A 1 ATOM 223 C CA . ARG A 0 29 . 34.511 4.332 -18.902 1.00 56.17 29 A 1 ATOM 224 C C . ARG A 0 29 . 33.649 5.587 -18.815 1.00 56.17 29 A 1 ATOM 225 C CB . ARG A 0 29 . 33.920 3.182 -18.072 1.00 56.17 29 A 1 ATOM 226 O O . ARG A 0 29 . 33.252 5.988 -17.725 1.00 56.17 29 A 1 ATOM 227 C CG . ARG A 0 29 . 34.542 1.805 -18.351 1.00 56.17 29 A 1 ATOM 228 C CD . ARG A 0 29 . 34.126 1.221 -19.712 1.00 56.17 29 A 1 ATOM 229 N NE . ARG A 0 29 . 34.124 -0.258 -19.681 1.00 56.17 29 A 1 ATOM 230 N NH1 . ARG A 0 29 . 33.919 -0.652 -21.938 1.00 56.17 29 A 1 ATOM 231 N NH2 . ARG A 0 29 . 33.901 -2.366 -20.517 1.00 56.17 29 A 1 ATOM 232 C CZ . ARG A 0 29 . 33.985 -1.079 -20.709 1.00 56.17 29 A 1 ATOM 233 N N . ARG A 0 30 . 33.425 6.233 -19.963 1.00 54.45 30 A 1 ATOM 234 C CA . ARG A 0 30 . 32.383 7.248 -20.130 1.00 54.45 30 A 1 ATOM 235 C C . ARG A 0 30 . 31.125 6.690 -19.481 1.00 54.45 30 A 1 ATOM 236 C CB . ARG A 0 30 . 32.214 7.530 -21.633 1.00 54.45 30 A 1 ATOM 237 O O . ARG A 0 30 . 30.752 5.561 -19.792 1.00 54.45 30 A 1 ATOM 238 C CG . ARG A 0 30 . 31.112 8.540 -21.997 1.00 54.45 30 A 1 ATOM 239 C CD . ARG A 0 30 . 31.338 8.997 -23.448 1.00 54.45 30 A 1 ATOM 240 N NE . ARG A 0 30 . 30.182 9.714 -24.017 1.00 54.45 30 A 1 ATOM 241 N NH1 . ARG A 0 30 . 31.232 10.529 -25.897 1.00 54.45 30 A 1 ATOM 242 N NH2 . ARG A 0 30 . 29.043 10.847 -25.634 1.00 54.45 30 A 1 ATOM 243 C CZ . ARG A 0 30 . 30.159 10.359 -25.172 1.00 54.45 30 A 1 ATOM 244 N N . PHE A 0 31 . 30.552 7.447 -18.550 1.00 54.91 31 A 1 ATOM 245 C CA . PHE A 0 31 . 29.274 7.120 -17.941 1.00 54.91 31 A 1 ATOM 246 C C . PHE A 0 31 . 28.265 7.073 -19.086 1.00 54.91 31 A 1 ATOM 247 C CB . PHE A 0 31 . 28.946 8.167 -16.863 1.00 54.91 31 A 1 ATOM 248 O O . PHE A 0 31 . 27.815 8.104 -19.583 1.00 54.91 31 A 1 ATOM 249 C CG . PHE A 0 31 . 27.837 7.776 -15.903 1.00 54.91 31 A 1 ATOM 250 C CD1 . PHE A 0 31 . 26.502 8.142 -16.163 1.00 54.91 31 A 1 ATOM 251 C CD2 . PHE A 0 31 . 28.150 7.080 -14.719 1.00 54.91 31 A 1 ATOM 252 C CE1 . PHE A 0 31 . 25.490 7.820 -15.239 1.00 54.91 31 A 1 ATOM 253 C CE2 . PHE A 0 31 . 27.138 6.755 -13.798 1.00 54.91 31 A 1 ATOM 254 C CZ . PHE A 0 31 . 25.808 7.128 -14.057 1.00 54.91 31 A 1 ATOM 255 N N . VAL A 0 32 . 28.035 5.875 -19.614 1.00 56.40 32 A 1 ATOM 256 C CA . VAL A 0 32 . 26.854 5.607 -20.412 1.00 56.40 32 A 1 ATOM 257 C C . VAL A 0 32 . 25.760 5.726 -19.362 1.00 56.40 32 A 1 ATOM 258 C CB . VAL A 0 32 . 26.921 4.216 -21.079 1.00 56.40 32 A 1 ATOM 259 O O . VAL A 0 32 . 25.826 4.951 -18.400 1.00 56.40 32 A 1 ATOM 260 C CG1 . VAL A 0 32 . 25.697 3.931 -21.953 1.00 56.40 32 A 1 ATOM 261 C CG2 . VAL A 0 32 . 28.154 4.118 -21.991 1.00 56.40 32 A 1 ATOM 262 N N . PRO A 0 33 . 24.859 6.731 -19.432 1.00 55.86 33 A 1 ATOM 263 C CA . PRO A 0 33 . 23.658 6.658 -18.611 1.00 55.86 33 A 1 ATOM 264 C C . PRO A 0 33 . 23.139 5.255 -18.863 1.00 55.86 33 A 1 ATOM 265 C CB . PRO A 0 33 . 22.707 7.738 -19.138 1.00 55.86 33 A 1 ATOM 266 O O . PRO A 0 33 . 23.055 4.887 -20.036 1.00 55.86 33 A 1 ATOM 267 C CG . PRO A 0 33 . 23.157 7.951 -20.583 1.00 55.86 33 A 1 ATOM 268 C CD . PRO A 0 33 . 24.658 7.669 -20.531 1.00 55.86 33 A 1 ATOM 269 N N . LEU A 0 34 . 22.985 4.448 -17.803 1.00 53.15 34 A 1 ATOM 270 C CA . LEU A 0 34 . 22.389 3.122 -17.923 1.00 53.15 34 A 1 ATOM 271 C C . LEU A 0 34 . 21.246 3.308 -18.902 1.00 53.15 34 A 1 ATOM 272 C CB . LEU A 0 34 . 21.867 2.650 -16.556 1.00 53.15 34 A 1 ATOM 273 O O . LEU A 0 34 . 20.378 4.148 -18.658 1.00 53.15 34 A 1 ATOM 274 C CG . LEU A 0 34 . 22.973 2.137 -15.622 1.00 53.15 34 A 1 ATOM 275 C CD1 . LEU A 0 34 . 22.475 2.114 -14.179 1.00 53.15 34 A 1 ATOM 276 C CD2 . LEU A 0 34 . 23.413 0.719 -16.001 1.00 53.15 34 A 1 ATOM 277 N N . SER A 0 35 . 21.393 2.704 -20.084 1.00 49.43 35 A 1 ATOM 278 C CA . SER A 0 35 . 20.416 2.828 -21.150 1.00 49.43 35 A 1 ATOM 279 C C . SER A 0 35 . 19.079 2.626 -20.462 1.00 49.43 35 A 1 ATOM 280 C CB . SER A 0 35 . 20.639 1.731 -22.200 1.00 49.43 35 A 1 ATOM 281 O O . SER A 0 35 . 18.992 1.728 -19.628 1.00 49.43 35 A 1 ATOM 282 O OG . SER A 0 35 . 22.019 1.434 -22.381 1.00 49.43 35 A 1 ATOM 283 N N . GLN A 0 36 . 18.066 3.437 -20.745 1.00 53.75 36 A 1 ATOM 284 C CA . GLN A 0 36 . 16.733 3.224 -20.165 1.00 53.75 36 A 1 ATOM 285 C C . GLN A 0 36 . 16.195 1.792 -20.426 1.00 53.75 36 A 1 ATOM 286 C CB . GLN A 0 36 . 15.780 4.295 -20.714 1.00 53.75 36 A 1 ATOM 287 O O . GLN A 0 36 . 15.180 1.408 -19.868 1.00 53.75 36 A 1 ATOM 288 C CG . GLN A 0 36 . 16.066 5.693 -20.149 1.00 53.75 36 A 1 ATOM 289 C CD . GLN A 0 36 . 15.175 6.738 -20.807 1.00 53.75 36 A 1 ATOM 290 N NE2 . GLN A 0 36 . 14.022 7.035 -20.247 1.00 53.75 36 A 1 ATOM 291 O OE1 . GLN A 0 36 . 15.502 7.297 -21.842 1.00 53.75 36 A 1 ATOM 292 N N . ASP A 0 37 . 16.894 0.998 -21.248 1.00 51.62 37 A 1 ATOM 293 C CA . ASP A 0 37 . 16.707 -0.436 -21.480 1.00 51.62 37 A 1 ATOM 294 C C . ASP A 0 37 . 17.313 -1.367 -20.418 1.00 51.62 37 A 1 ATOM 295 C CB . ASP A 0 37 . 17.364 -0.804 -22.812 1.00 51.62 37 A 1 ATOM 296 O O . ASP A 0 37 . 17.053 -2.572 -20.440 1.00 51.62 37 A 1 ATOM 297 C CG . ASP A 0 37 . 16.917 0.091 -23.958 1.00 51.62 37 A 1 ATOM 298 O OD1 . ASP A 0 37 . 15.694 0.242 -24.148 1.00 51.62 37 A 1 ATOM 299 O OD2 . ASP A 0 37 . 17.833 0.631 -24.621 1.00 51.62 37 A 1 ATOM 300 N N . ALA A 0 38 . 18.145 -0.877 -19.496 1.00 52.17 38 A 1 ATOM 301 C CA . ALA A 0 38 . 18.336 -1.611 -18.261 1.00 52.17 38 A 1 ATOM 302 C C . ALA A 0 38 . 16.951 -1.611 -17.599 1.00 52.17 38 A 1 ATOM 303 C CB . ALA A 0 38 . 19.424 -0.955 -17.399 1.00 52.17 38 A 1 ATOM 304 O O . ALA A 0 38 . 16.393 -0.531 -17.426 1.00 52.17 38 A 1 ATOM 305 N N . PRO A 0 39 . 16.374 -2.763 -17.214 1.00 52.36 39 A 1 ATOM 306 C CA . PRO A 0 39 . 15.136 -2.818 -16.429 1.00 52.36 39 A 1 ATOM 307 C C . PRO A 0 39 . 15.393 -2.318 -14.990 1.00 52.36 39 A 1 ATOM 308 C CB . PRO A 0 39 . 14.669 -4.274 -16.540 1.00 52.36 39 A 1 ATOM 309 O O . PRO A 0 39 . 14.991 -2.924 -13.997 1.00 52.36 39 A 1 ATOM 310 C CG . PRO A 0 39 . 15.975 -5.050 -16.712 1.00 52.36 39 A 1 ATOM 311 C CD . PRO A 0 39 . 16.857 -4.099 -17.515 1.00 52.36 39 A 1 ATOM 312 N N . SER A 0 40 . 16.174 -1.245 -14.880 1.00 54.72 40 A 1 ATOM 313 C CA . SER A 0 40 . 16.789 -0.670 -13.712 1.00 54.72 40 A 1 ATOM 314 C C . SER A 0 40 . 15.722 0.058 -12.944 1.00 54.72 40 A 1 ATOM 315 C CB . SER A 0 40 . 17.928 0.288 -14.114 1.00 54.72 40 A 1 ATOM 316 O O . SER A 0 40 . 15.631 1.268 -13.041 1.00 54.72 40 A 1 ATOM 317 O OG . SER A 0 40 . 17.530 1.250 -15.070 1.00 54.72 40 A 1 ATOM 318 N N . LEU A 0 41 . 14.975 -0.687 -12.135 1.00 55.43 41 A 1 ATOM 319 C CA . LEU A 0 41 . 14.355 -0.176 -10.917 1.00 55.43 41 A 1 ATOM 320 C C . LEU A 0 41 . 13.144 0.769 -11.141 1.00 55.43 41 A 1 ATOM 321 C CB . LEU A 0 41 . 15.552 0.345 -10.076 1.00 55.43 41 A 1 ATOM 322 O O . LEU A 0 41 . 12.172 0.634 -10.403 1.00 55.43 41 A 1 ATOM 323 C CG . LEU A 0 41 . 15.388 0.667 -8.595 1.00 55.43 41 A 1 ATOM 324 C CD1 . LEU A 0 41 . 15.009 2.129 -8.422 1.00 55.43 41 A 1 ATOM 325 C CD2 . LEU A 0 41 . 14.441 -0.312 -7.908 1.00 55.43 41 A 1 ATOM 326 N N . ASP A 0 42 . 13.117 1.564 -12.214 1.00 61.19 42 A 1 ATOM 327 C CA . ASP A 0 42 . 12.009 2.406 -12.680 1.00 61.19 42 A 1 ATOM 328 C C . ASP A 0 42 . 10.742 1.579 -12.909 1.00 61.19 42 A 1 ATOM 329 C CB . ASP A 0 42 . 12.419 3.139 -13.973 1.00 61.19 42 A 1 ATOM 330 O O . ASP A 0 42 . 9.717 1.827 -12.283 1.00 61.19 42 A 1 ATOM 331 C CG . ASP A 0 42 . 13.499 4.209 -13.759 1.00 61.19 42 A 1 ATOM 332 O OD1 . ASP A 0 42 . 13.452 4.890 -12.713 1.00 61.19 42 A 1 ATOM 333 O OD2 . ASP A 0 42 . 14.373 4.333 -14.647 1.00 61.19 42 A 1 ATOM 334 N N . GLN A 0 43 . 10.835 0.493 -13.685 1.00 63.96 43 A 1 ATOM 335 C CA . GLN A 0 43 . 9.674 -0.364 -13.951 1.00 63.96 43 A 1 ATOM 336 C C . GLN A 0 43 . 9.100 -0.969 -12.656 1.00 63.96 43 A 1 ATOM 337 C CB . GLN A 0 43 . 10.081 -1.454 -14.956 1.00 63.96 43 A 1 ATOM 338 O O . GLN A 0 43 . 7.892 -1.150 -12.523 1.00 63.96 43 A 1 ATOM 339 C CG . GLN A 0 43 . 8.862 -2.139 -15.590 1.00 63.96 43 A 1 ATOM 340 C CD . GLN A 0 43 . 9.270 -3.245 -16.559 1.00 63.96 43 A 1 ATOM 341 N NE2 . GLN A 0 43 . 8.693 -4.423 -16.515 1.00 63.96 43 A 1 ATOM 342 O OE1 . GLN A 0 43 . 10.125 -3.092 -17.407 1.00 63.96 43 A 1 ATOM 343 N N . THR A 0 44 . 9.952 -1.254 -11.667 1.00 69.66 44 A 1 ATOM 344 C CA . THR A 0 44 . 9.508 -1.718 -10.346 1.00 69.66 44 A 1 ATOM 345 C C . THR A 0 44 . 8.760 -0.622 -9.591 1.00 69.66 44 A 1 ATOM 346 C CB . THR A 0 44 . 10.683 -2.220 -9.497 1.00 69.66 44 A 1 ATOM 347 O O . THR A 0 44 . 7.773 -0.927 -8.926 1.00 69.66 44 A 1 ATOM 348 C CG2 . THR A 0 44 . 10.231 -2.914 -8.211 1.00 69.66 44 A 1 ATOM 349 O OG1 . THR A 0 44 . 11.437 -3.171 -10.215 1.00 69.66 44 A 1 ATOM 350 N N . ILE A 0 45 . 9.189 0.639 -9.692 1.00 69.61 45 A 1 ATOM 351 C CA . ILE A 0 45 . 8.497 1.790 -9.088 1.00 69.61 45 A 1 ATOM 352 C C . ILE A 0 45 . 7.108 1.951 -9.707 1.00 69.61 45 A 1 ATOM 353 C CB . ILE A 0 45 . 9.327 3.085 -9.246 1.00 69.61 45 A 1 ATOM 354 O O . ILE A 0 45 . 6.123 2.083 -8.975 1.00 69.61 45 A 1 ATOM 355 C CG1 . ILE A 0 45 . 10.650 2.974 -8.470 1.00 69.61 45 A 1 ATOM 356 C CG2 . ILE A 0 45 . 8.543 4.305 -8.727 1.00 69.61 45 A 1 ATOM 357 C CD1 . ILE A 0 45 . 11.754 3.894 -9.004 1.00 69.61 45 A 1 ATOM 358 N N . ASP A 0 46 . 7.009 1.848 -11.031 1.00 74.88 46 A 1 ATOM 359 C CA . ASP A 0 46 . 5.729 1.898 -11.738 1.00 74.88 46 A 1 ATOM 360 C C . ASP A 0 46 . 4.799 0.762 -11.296 1.00 74.88 46 A 1 ATOM 361 C CB . ASP A 0 46 . 5.965 1.826 -13.249 1.00 74.88 46 A 1 ATOM 362 O O . ASP A 0 46 . 3.618 0.989 -11.012 1.00 74.88 46 A 1 ATOM 363 C CG . ASP A 0 46 . 6.688 3.061 -13.784 1.00 74.88 46 A 1 ATOM 364 O OD1 . ASP A 0 46 . 6.209 4.176 -13.475 1.00 74.88 46 A 1 ATOM 365 O OD2 . ASP A 0 46 . 7.662 2.862 -14.542 1.00 74.88 46 A 1 ATOM 366 N N . TYR A 0 47 . 5.334 -0.456 -11.149 1.00 72.80 47 A 1 ATOM 367 C CA . TYR A 0 47 . 4.572 -1.580 -10.611 1.00 72.80 47 A 1 ATOM 368 C C . TYR A 0 47 . 4.115 -1.330 -9.181 1.00 72.80 47 A 1 ATOM 369 C CB . TYR A 0 47 . 5.382 -2.879 -10.674 1.00 72.80 47 A 1 ATOM 370 O O . TYR A 0 47 . 2.949 -1.556 -8.870 1.00 72.80 47 A 1 ATOM 371 C CG . TYR A 0 47 . 5.522 -3.472 -12.056 1.00 72.80 47 A 1 ATOM 372 C CD1 . TYR A 0 47 . 4.391 -3.641 -12.879 1.00 72.80 47 A 1 ATOM 373 C CD2 . TYR A 0 47 . 6.785 -3.886 -12.508 1.00 72.80 47 A 1 ATOM 374 C CE1 . TYR A 0 47 . 4.537 -4.138 -14.186 1.00 72.80 47 A 1 ATOM 375 C CE2 . TYR A 0 47 . 6.928 -4.431 -13.791 1.00 72.80 47 A 1 ATOM 376 O OH . TYR A 0 47 . 5.961 -4.969 -15.918 1.00 72.80 47 A 1 ATOM 377 C CZ . TYR A 0 47 . 5.813 -4.513 -14.649 1.00 72.80 47 A 1 ATOM 378 N N . LEU A 0 48 . 4.993 -0.844 -8.307 1.00 71.17 48 A 1 ATOM 379 C CA . LEU A 0 48 . 4.643 -0.547 -6.924 1.00 71.17 48 A 1 ATOM 380 C C . LEU A 0 48 . 3.515 0.479 -6.821 1.00 71.17 48 A 1 ATOM 381 C CB . LEU A 0 48 . 5.879 -0.012 -6.202 1.00 71.17 48 A 1 ATOM 382 O O . LEU A 0 48 . 2.611 0.311 -6.002 1.00 71.17 48 A 1 ATOM 383 C CG . LEU A 0 48 . 6.906 -1.067 -5.792 1.00 71.17 48 A 1 ATOM 384 C CD1 . LEU A 0 48 . 8.197 -0.390 -5.324 1.00 71.17 48 A 1 ATOM 385 C CD2 . LEU A 0 48 . 6.321 -1.885 -4.643 1.00 71.17 48 A 1 ATOM 386 N N . ASN A 0 49 . 3.540 1.506 -7.667 1.00 72.79 49 A 1 ATOM 387 C CA . ASN A 0 49 . 2.479 2.499 -7.732 1.00 72.79 49 A 1 ATOM 388 C C . ASN A 0 49 . 1.168 1.898 -8.252 1.00 72.79 49 A 1 ATOM 389 C CB . ASN A 0 49 . 2.976 3.670 -8.586 1.00 72.79 49 A 1 ATOM 390 O O . ASN A 0 49 . 0.121 2.062 -7.624 1.00 72.79 49 A 1 ATOM 391 C CG . ASN A 0 49 . 2.038 4.858 -8.531 1.00 72.79 49 A 1 ATOM 392 N ND2 . ASN A 0 49 . 2.080 5.704 -9.532 1.00 72.79 49 A 1 ATOM 393 O OD1 . ASN A 0 49 . 1.279 5.062 -7.598 1.00 72.79 49 A 1 ATOM 394 N N . PHE A 0 50 . 1.222 1.129 -9.343 1.00 78.56 50 A 1 ATOM 395 C CA . PHE A 0 50 . 0.048 0.438 -9.876 1.00 78.56 50 A 1 ATOM 396 C C . PHE A 0 50 . -0.576 -0.502 -8.837 1.00 78.56 50 A 1 ATOM 397 C CB . PHE A 0 50 . 0.437 -0.321 -11.150 1.00 78.56 50 A 1 ATOM 398 O O . PHE A 0 50 . -1.779 -0.438 -8.584 1.00 78.56 50 A 1 ATOM 399 C CG . PHE A 0 50 . -0.745 -0.995 -11.817 1.00 78.56 50 A 1 ATOM 400 C CD1 . PHE A 0 50 . -0.957 -2.379 -11.671 1.00 78.56 50 A 1 ATOM 401 C CD2 . PHE A 0 50 . -1.656 -0.222 -12.561 1.00 78.56 50 A 1 ATOM 402 C CE1 . PHE A 0 50 . -2.071 -2.988 -12.277 1.00 78.56 50 A 1 ATOM 403 C CE2 . PHE A 0 50 . -2.772 -0.830 -13.163 1.00 78.56 50 A 1 ATOM 404 C CZ . PHE A 0 50 . -2.978 -2.214 -13.022 1.00 78.56 50 A 1 ATOM 405 N N . PHE A 0 51 . 0.240 -1.315 -8.164 1.00 74.19 51 A 1 ATOM 406 C CA . PHE A 0 51 . -0.216 -2.188 -7.086 1.00 74.19 51 A 1 ATOM 407 C C . PHE A 0 51 . -0.757 -1.396 -5.890 1.00 74.19 51 A 1 ATOM 408 C CB . PHE A 0 51 . 0.909 -3.145 -6.658 1.00 74.19 51 A 1 ATOM 409 O O . PHE A 0 51 . -1.766 -1.804 -5.323 1.00 74.19 51 A 1 ATOM 410 C CG . PHE A 0 51 . 1.215 -4.244 -7.663 1.00 74.19 51 A 1 ATOM 411 C CD1 . PHE A 0 51 . 0.209 -5.158 -8.030 1.00 74.19 51 A 1 ATOM 412 C CD2 . PHE A 0 51 . 2.504 -4.388 -8.210 1.00 74.19 51 A 1 ATOM 413 C CE1 . PHE A 0 51 . 0.476 -6.170 -8.969 1.00 74.19 51 A 1 ATOM 414 C CE2 . PHE A 0 51 . 2.766 -5.383 -9.168 1.00 74.19 51 A 1 ATOM 415 C CZ . PHE A 0 51 . 1.750 -6.272 -9.552 1.00 74.19 51 A 1 ATOM 416 N N . GLY A 0 52 . -0.155 -0.259 -5.530 1.00 72.56 52 A 1 ATOM 417 C CA . GLY A 0 52 . -0.652 0.626 -4.472 1.00 72.56 52 A 1 ATOM 418 C C . GLY A 0 52 . -2.036 1.208 -4.777 1.00 72.56 52 A 1 ATOM 419 O O . GLY A 0 52 . -2.902 1.227 -3.901 1.00 72.56 52 A 1 ATOM 420 N N . ILE A 0 53 . -2.283 1.608 -6.028 1.00 77.87 53 A 1 ATOM 421 C CA . ILE A 0 53 . -3.591 2.104 -6.486 1.00 77.87 53 A 1 ATOM 422 C C . ILE A 0 53 . -4.619 0.973 -6.516 1.00 77.87 53 A 1 ATOM 423 C CB . ILE A 0 53 . -3.464 2.781 -7.870 1.00 77.87 53 A 1 ATOM 424 O O . ILE A 0 53 . -5.718 1.134 -5.985 1.00 77.87 53 A 1 ATOM 425 C CG1 . ILE A 0 53 . -2.608 4.063 -7.762 1.00 77.87 53 A 1 ATOM 426 C CG2 . ILE A 0 53 . -4.853 3.123 -8.450 1.00 77.87 53 A 1 ATOM 427 C CD1 . ILE A 0 53 . -2.151 4.610 -9.120 1.00 77.87 53 A 1 ATOM 428 N N . VAL A 0 54 . -4.270 -0.179 -7.099 1.00 75.50 54 A 1 ATOM 429 C CA . VAL A 0 54 . -5.163 -1.346 -7.152 1.00 75.50 54 A 1 ATOM 430 C C . VAL A 0 54 . -5.529 -1.792 -5.739 1.00 75.50 54 A 1 ATOM 431 C CB . VAL A 0 54 . -4.533 -2.496 -7.962 1.00 75.50 54 A 1 ATOM 432 O O . VAL A 0 54 . -6.702 -2.016 -5.468 1.00 75.50 54 A 1 ATOM 433 C CG1 . VAL A 0 54 . -5.348 -3.794 -7.875 1.00 75.50 54 A 1 ATOM 434 C CG2 . VAL A 0 54 . -4.450 -2.125 -9.448 1.00 75.50 54 A 1 ATOM 435 N N . LEU A 0 55 . -4.568 -1.831 -4.815 1.00 70.53 55 A 1 ATOM 436 C CA . LEU A 0 55 . -4.804 -2.170 -3.414 1.00 70.53 55 A 1 ATOM 437 C C . LEU A 0 55 . -5.685 -1.119 -2.727 1.00 70.53 55 A 1 ATOM 438 C CB . LEU A 0 55 . -3.437 -2.387 -2.746 1.00 70.53 55 A 1 ATOM 439 O O . LEU A 0 55 . -6.633 -1.491 -2.037 1.00 70.53 55 A 1 ATOM 440 C CG . LEU A 0 55 . -3.486 -2.976 -1.327 1.00 70.53 55 A 1 ATOM 441 C CD1 . LEU A 0 55 . -2.111 -3.510 -0.931 1.00 70.53 55 A 1 ATOM 442 C CD2 . LEU A 0 55 . -3.835 -1.935 -0.289 1.00 70.53 55 A 1 ATOM 443 N N . SER A 0 56 . -5.454 0.176 -2.966 1.00 73.36 56 A 1 ATOM 444 C CA . SER A 0 56 . -6.317 1.241 -2.438 1.00 73.36 56 A 1 ATOM 445 C C . SER A 0 56 . -7.752 1.158 -2.969 1.00 73.36 56 A 1 ATOM 446 C CB . SER A 0 56 . -5.741 2.618 -2.770 1.00 73.36 56 A 1 ATOM 447 O O . SER A 0 56 . -8.682 1.496 -2.240 1.00 73.36 56 A 1 ATOM 448 O OG . SER A 0 56 . -6.526 3.613 -2.138 1.00 73.36 56 A 1 ATOM 449 N N . MET A 0 57 . -7.945 0.720 -4.213 1.00 75.11 57 A 1 ATOM 450 C CA . MET A 0 57 . -9.272 0.539 -4.813 1.00 75.11 57 A 1 ATOM 451 C C . MET A 0 57 . -9.956 -0.737 -4.322 1.00 75.11 57 A 1 ATOM 452 C CB . MET A 0 57 . -9.149 0.550 -6.341 1.00 75.11 57 A 1 ATOM 453 O O . MET A 0 57 . -11.132 -0.721 -3.967 1.00 75.11 57 A 1 ATOM 454 C CG . MET A 0 57 . -8.814 1.935 -6.909 1.00 75.11 57 A 1 ATOM 455 S SD . MET A 0 57 . -10.185 3.130 -6.930 1.00 75.11 57 A 1 ATOM 456 C CE . MET A 0 57 . -10.018 3.939 -5.314 1.00 75.11 57 A 1 ATOM 457 N N . CYS A 0 58 . -9.208 -1.831 -4.231 1.00 69.12 58 A 1 ATOM 458 C CA . CYS A 0 58 . -9.659 -3.093 -3.663 1.00 69.12 58 A 1 ATOM 459 C C . CYS A 0 58 . -10.040 -2.950 -2.184 1.00 69.12 58 A 1 ATOM 460 C CB . CYS A 0 58 . -8.514 -4.093 -3.852 1.00 69.12 58 A 1 ATOM 461 O O . CYS A 0 58 . -11.051 -3.500 -1.752 1.00 69.12 58 A 1 ATOM 462 S SG . CYS A 0 58 . -8.541 -4.748 -5.551 1.00 69.12 58 A 1 ATOM 463 N N . GLY A 0 59 . -9.266 -2.178 -1.418 1.00 63.84 59 A 1 ATOM 464 C CA . GLY A 0 59 . -9.436 -2.016 0.023 1.00 63.84 59 A 1 ATOM 465 C C . GLY A 0 59 . -10.785 -1.437 0.448 1.00 63.84 59 A 1 ATOM 466 O O . GLY A 0 59 . -11.252 -1.709 1.548 1.00 63.84 59 A 1 ATOM 467 N N . LEU A 0 60 . -11.434 -0.681 -0.435 1.00 62.26 60 A 1 ATOM 468 C CA . LEU A 0 60 . -12.718 -0.040 -0.157 1.00 62.26 60 A 1 ATOM 469 C C . LEU A 0 60 . -13.934 -0.935 -0.451 1.00 62.26 60 A 1 ATOM 470 C CB . LEU A 0 60 . -12.781 1.271 -0.963 1.00 62.26 60 A 1 ATOM 471 O O . LEU A 0 60 . -15.019 -0.626 0.027 1.00 62.26 60 A 1 ATOM 472 C CG . LEU A 0 60 . -11.773 2.342 -0.502 1.00 62.26 60 A 1 ATOM 473 C CD1 . LEU A 0 60 . -11.716 3.470 -1.532 1.00 62.26 60 A 1 ATOM 474 C CD2 . LEU A 0 60 . -12.156 2.952 0.850 1.00 62.26 60 A 1 ATOM 475 N N . LEU A 0 61 . -13.787 -2.012 -1.233 1.00 62.98 61 A 1 ATOM 476 C CA . LEU A 0 61 . -14.931 -2.767 -1.778 1.00 62.98 61 A 1 ATOM 477 C C . LEU A 0 61 . -15.117 -4.178 -1.195 1.00 62.98 61 A 1 ATOM 478 C CB . LEU A 0 61 . -14.812 -2.817 -3.315 1.00 62.98 61 A 1 ATOM 479 O O . LEU A 0 61 . -16.091 -4.852 -1.526 1.00 62.98 61 A 1 ATOM 480 C CG . LEU A 0 61 . -14.924 -1.456 -4.029 1.00 62.98 61 A 1 ATOM 481 C CD1 . LEU A 0 61 . -14.738 -1.660 -5.535 1.00 62.98 61 A 1 ATOM 482 C CD2 . LEU A 0 61 . -16.282 -0.784 -3.808 1.00 62.98 61 A 1 ATOM 483 N N . PHE A 0 62 . -14.194 -4.676 -0.371 1.00 62.12 62 A 1 ATOM 484 C CA . PHE A 0 62 . -14.154 -6.099 -0.031 1.00 62.12 62 A 1 ATOM 485 C C . PHE A 0 62 . -14.854 -6.450 1.294 1.00 62.12 62 A 1 ATOM 486 C CB . PHE A 0 62 . -12.708 -6.602 -0.120 1.00 62.12 62 A 1 ATOM 487 O O . PHE A 0 62 . -14.246 -6.445 2.360 1.00 62.12 62 A 1 ATOM 488 C CG . PHE A 0 62 . -12.229 -6.965 -1.512 1.00 62.12 62 A 1 ATOM 489 C CD1 . PHE A 0 62 . -12.964 -7.875 -2.298 1.00 62.12 62 A 1 ATOM 490 C CD2 . PHE A 0 62 . -11.000 -6.483 -1.992 1.00 62.12 62 A 1 ATOM 491 C CE1 . PHE A 0 62 . -12.512 -8.244 -3.576 1.00 62.12 62 A 1 ATOM 492 C CE2 . PHE A 0 62 . -10.542 -6.871 -3.264 1.00 62.12 62 A 1 ATOM 493 C CZ . PHE A 0 62 . -11.305 -7.729 -4.066 1.00 62.12 62 A 1 ATOM 494 N N . GLU A 0 63 . -16.125 -6.852 1.201 1.00 59.36 63 A 1 ATOM 495 C CA . GLU A 0 63 . -17.013 -7.155 2.338 1.00 59.36 63 A 1 ATOM 496 C C . GLU A 0 63 . -17.358 -8.662 2.520 1.00 59.36 63 A 1 ATOM 497 C CB . GLU A 0 63 . -18.263 -6.237 2.254 1.00 59.36 63 A 1 ATOM 498 O O . GLU A 0 63 . -18.475 -9.001 2.888 1.00 59.36 63 A 1 ATOM 499 C CG . GLU A 0 63 . -18.333 -5.252 3.428 1.00 59.36 63 A 1 ATOM 500 C CD . GLU A 0 63 . -19.733 -4.637 3.558 1.00 59.36 63 A 1 ATOM 501 O OE1 . GLU A 0 63 . -20.394 -4.953 4.572 1.00 59.36 63 A 1 ATOM 502 O OE2 . GLU A 0 63 . -20.125 -3.870 2.651 1.00 59.36 63 A 1 ATOM 503 N N . MET A 0 64 . -16.447 -9.620 2.262 1.00 57.35 64 A 1 ATOM 504 C CA . MET A 0 64 . -16.769 -11.074 2.335 1.00 57.35 64 A 1 ATOM 505 C C . MET A 0 64 . -15.639 -11.922 2.951 1.00 57.35 64 A 1 ATOM 506 C CB . MET A 0 64 . -17.121 -11.596 0.927 1.00 57.35 64 A 1 ATOM 507 O O . MET A 0 64 . -14.487 -11.536 2.879 1.00 57.35 64 A 1 ATOM 508 C CG . MET A 0 64 . -18.347 -10.921 0.292 1.00 57.35 64 A 1 ATOM 509 S SD . MET A 0 64 . -19.934 -11.337 1.063 1.00 57.35 64 A 1 ATOM 510 C CE . MET A 0 64 . -20.540 -12.597 -0.084 1.00 57.35 64 A 1 ATOM 511 N N . LYS A 0 65 . -15.902 -13.123 3.496 1.00 61.36 65 A 1 ATOM 512 C CA . LYS A 0 65 . -14.903 -13.999 4.184 1.00 61.36 65 A 1 ATOM 513 C C . LYS A 0 65 . -13.586 -14.257 3.419 1.00 61.36 65 A 1 ATOM 514 C CB . LYS A 0 65 . -15.577 -15.340 4.543 1.00 61.36 65 A 1 ATOM 515 O O . LYS A 0 65 . -12.542 -14.433 4.041 1.00 61.36 65 A 1 ATOM 516 C CG . LYS A 0 65 . -16.519 -15.188 5.751 1.00 61.36 65 A 1 ATOM 517 C CD . LYS A 0 65 . -17.561 -16.307 5.904 1.00 61.36 65 A 1 ATOM 518 C CE . LYS A 0 65 . -16.947 -17.696 6.126 1.00 61.36 65 A 1 ATOM 519 N NZ . LYS A 0 65 . -17.937 -18.631 6.721 1.00 61.36 65 A 1 ATOM 520 N N . PHE A 0 66 . -13.616 -14.245 2.084 1.00 61.76 66 A 1 ATOM 521 C CA . PHE A 0 66 . -12.421 -14.343 1.230 1.00 61.76 66 A 1 ATOM 522 C C . PHE A 0 66 . -11.557 -13.071 1.230 1.00 61.76 66 A 1 ATOM 523 C CB . PHE A 0 66 . -12.861 -14.700 -0.197 1.00 61.76 66 A 1 ATOM 524 O O . PHE A 0 66 . -10.359 -13.139 0.963 1.00 61.76 66 A 1 ATOM 525 C CG . PHE A 0 66 . -13.318 -16.138 -0.340 1.00 61.76 66 A 1 ATOM 526 C CD1 . PHE A 0 66 . -12.355 -17.160 -0.433 1.00 61.76 66 A 1 ATOM 527 C CD2 . PHE A 0 66 . -14.688 -16.464 -0.371 1.00 61.76 66 A 1 ATOM 528 C CE1 . PHE A 0 66 . -12.756 -18.502 -0.558 1.00 61.76 66 A 1 ATOM 529 C CE2 . PHE A 0 66 . -15.089 -17.808 -0.494 1.00 61.76 66 A 1 ATOM 530 C CZ . PHE A 0 66 . -14.123 -18.825 -0.588 1.00 61.76 66 A 1 ATOM 531 N N . ALA A 0 67 . -12.137 -11.923 1.578 1.00 65.13 67 A 1 ATOM 532 C CA . ALA A 0 67 . -11.485 -10.621 1.627 1.00 65.13 67 A 1 ATOM 533 C C . ALA A 0 67 . -10.308 -10.586 2.593 1.00 65.13 67 A 1 ATOM 534 C CB . ALA A 0 67 . -12.492 -9.560 2.071 1.00 65.13 67 A 1 ATOM 535 O O . ALA A 0 67 . -9.281 -10.025 2.247 1.00 65.13 67 A 1 ATOM 536 N N . ALA A 0 68 . -10.418 -11.201 3.775 1.00 65.18 68 A 1 ATOM 537 C CA . ALA A 0 68 . -9.323 -11.197 4.745 1.00 65.18 68 A 1 ATOM 538 C C . ALA A 0 68 . -8.096 -11.949 4.202 1.00 65.18 68 A 1 ATOM 539 C CB . ALA A 0 68 . -9.826 -11.793 6.064 1.00 65.18 68 A 1 ATOM 540 O O . ALA A 0 68 . -6.974 -11.458 4.293 1.00 65.18 68 A 1 ATOM 541 N N . TRP A 0 69 . -8.315 -13.104 3.565 1.00 70.63 69 A 1 ATOM 542 C CA . TRP A 0 69 . -7.247 -13.858 2.902 1.00 70.63 69 A 1 ATOM 543 C C . TRP A 0 69 . -6.647 -13.075 1.735 1.00 70.63 69 A 1 ATOM 544 C CB . TRP A 0 69 . -7.780 -15.218 2.441 1.00 70.63 69 A 1 ATOM 545 O O . TRP A 0 69 . -5.426 -12.989 1.622 1.00 70.63 69 A 1 ATOM 546 C CG . TRP A 0 69 . -7.657 -16.295 3.470 1.00 70.63 69 A 1 ATOM 547 C CD1 . TRP A 0 69 . -8.390 -16.412 4.600 1.00 70.63 69 A 1 ATOM 548 C CD2 . TRP A 0 69 . -6.704 -17.401 3.493 1.00 70.63 69 A 1 ATOM 549 C CE2 . TRP A 0 69 . -6.922 -18.159 4.681 1.00 70.63 69 A 1 ATOM 550 C CE3 . TRP A 0 69 . -5.673 -17.835 2.630 1.00 70.63 69 A 1 ATOM 551 N NE1 . TRP A 0 69 . -7.959 -17.511 5.318 1.00 70.63 69 A 1 ATOM 552 C CH2 . TRP A 0 69 . -5.148 -19.704 4.114 1.00 70.63 69 A 1 ATOM 553 C CZ2 . TRP A 0 69 . -6.162 -19.294 4.997 1.00 70.63 69 A 1 ATOM 554 C CZ3 . TRP A 0 69 . -4.905 -18.975 2.936 1.00 70.63 69 A 1 ATOM 555 N N . LEU A 0 70 . -7.489 -12.450 0.909 1.00 70.97 70 A 1 ATOM 556 C CA . LEU A 0 70 . -7.025 -11.598 -0.183 1.00 70.97 70 A 1 ATOM 557 C C . LEU A 0 70 . -6.257 -10.377 0.330 1.00 70.97 70 A 1 ATOM 558 C CB . LEU A 0 70 . -8.216 -11.181 -1.062 1.00 70.97 70 A 1 ATOM 559 O O . LEU A 0 70 . -5.222 -10.056 -0.237 1.00 70.97 70 A 1 ATOM 560 C CG . LEU A 0 70 . -8.760 -12.313 -1.951 1.00 70.97 70 A 1 ATOM 561 C CD1 . LEU A 0 70 . -10.067 -11.863 -2.603 1.00 70.97 70 A 1 ATOM 562 C CD2 . LEU A 0 70 . -7.778 -12.695 -3.063 1.00 70.97 70 A 1 ATOM 563 N N . ALA A 0 71 . -6.690 -9.740 1.417 1.00 73.59 71 A 1 ATOM 564 C CA . ALA A 0 71 . -6.024 -8.589 2.017 1.00 73.59 71 A 1 ATOM 565 C C . ALA A 0 71 . -4.648 -8.961 2.582 1.00 73.59 71 A 1 ATOM 566 C CB . ALA A 0 71 . -6.935 -7.992 3.098 1.00 73.59 71 A 1 ATOM 567 O O . ALA A 0 71 . -3.687 -8.227 2.360 1.00 73.59 71 A 1 ATOM 568 N N . VAL A 0 72 . -4.521 -10.120 3.245 1.00 71.73 72 A 1 ATOM 569 C CA . VAL A 0 72 . -3.229 -10.627 3.744 1.00 71.73 72 A 1 ATOM 570 C C . VAL A 0 72 . -2.286 -10.948 2.587 1.00 71.73 72 A 1 ATOM 571 C CB . VAL A 0 72 . -3.422 -11.863 4.647 1.00 71.73 72 A 1 ATOM 572 O O . VAL A 0 72 . -1.130 -10.527 2.602 1.00 71.73 72 A 1 ATOM 573 C CG1 . VAL A 0 72 . -2.091 -12.529 5.029 1.00 71.73 72 A 1 ATOM 574 C CG2 . VAL A 0 72 . -4.113 -11.474 5.960 1.00 71.73 72 A 1 ATOM 575 N N . VAL A 0 73 . -2.774 -11.651 1.561 1.00 76.65 73 A 1 ATOM 576 C CA . VAL A 0 73 . -1.972 -11.971 0.370 1.00 76.65 73 A 1 ATOM 577 C C . VAL A 0 73 . -1.558 -10.692 -0.356 1.00 76.65 73 A 1 ATOM 578 C CB . VAL A 0 73 . -2.744 -12.930 -0.556 1.00 76.65 73 A 1 ATOM 579 O O . VAL A 0 73 . -0.399 -10.539 -0.730 1.00 76.65 73 A 1 ATOM 580 C CG1 . VAL A 0 73 . -2.049 -13.129 -1.909 1.00 76.65 73 A 1 ATOM 581 C CG2 . VAL A 0 73 . -2.869 -14.315 0.094 1.00 76.65 73 A 1 ATOM 582 N N . CYS A 0 74 . -2.474 -9.739 -0.495 1.00 72.65 74 A 1 ATOM 583 C CA . CYS A 0 74 . -2.217 -8.450 -1.120 1.00 72.65 74 A 1 ATOM 584 C C . CYS A 0 74 . -1.163 -7.647 -0.341 1.00 72.65 74 A 1 ATOM 585 C CB . CYS A 0 74 . -3.562 -7.727 -1.246 1.00 72.65 74 A 1 ATOM 586 O O . CYS A 0 74 . -0.197 -7.170 -0.936 1.00 72.65 74 A 1 ATOM 587 S SG . CYS A 0 74 . -3.421 -6.304 -2.345 1.00 72.65 74 A 1 ATOM 588 N N . ALA A 0 75 . -1.267 -7.597 0.992 1.00 69.40 75 A 1 ATOM 589 C CA . ALA A 0 75 . -0.276 -6.955 1.849 1.00 69.40 75 A 1 ATOM 590 C C . ALA A 0 75 . 1.118 -7.580 1.709 1.00 69.40 75 A 1 ATOM 591 C CB . ALA A 0 75 . -0.778 -6.984 3.298 1.00 69.40 75 A 1 ATOM 592 O O . ALA A 0 75 . 2.124 -6.868 1.647 1.00 69.40 75 A 1 ATOM 593 N N . PHE A 0 76 . 1.179 -8.908 1.604 1.00 73.60 76 A 1 ATOM 594 C CA . PHE A 0 76 . 2.433 -9.630 1.425 1.00 73.60 76 A 1 ATOM 595 C C . PHE A 0 76 . 3.080 -9.348 0.060 1.00 73.60 76 A 1 ATOM 596 C CB . PHE A 0 76 . 2.173 -11.124 1.638 1.00 73.60 76 A 1 ATOM 597 O O . PHE A 0 76 . 4.293 -9.146 -0.019 1.00 73.60 76 A 1 ATOM 598 C CG . PHE A 0 76 . 3.416 -11.873 2.056 1.00 73.60 76 A 1 ATOM 599 C CD1 . PHE A 0 76 . 4.182 -12.581 1.112 1.00 73.60 76 A 1 ATOM 600 C CD2 . PHE A 0 76 . 3.820 -11.835 3.403 1.00 73.60 76 A 1 ATOM 601 C CE1 . PHE A 0 76 . 5.344 -13.260 1.520 1.00 73.60 76 A 1 ATOM 602 C CE2 . PHE A 0 76 . 4.983 -12.510 3.810 1.00 73.60 76 A 1 ATOM 603 C CZ . PHE A 0 76 . 5.744 -13.225 2.868 1.00 73.60 76 A 1 ATOM 604 N N . ILE A 0 77 . 2.273 -9.266 -1.004 1.00 73.05 77 A 1 ATOM 605 C CA . ILE A 0 77 . 2.735 -8.911 -2.354 1.00 73.05 77 A 1 ATOM 606 C C . ILE A 0 77 . 3.329 -7.497 -2.365 1.00 73.05 77 A 1 ATOM 607 C CB . ILE A 0 77 . 1.584 -9.063 -3.378 1.00 73.05 77 A 1 ATOM 608 O O . ILE A 0 77 . 4.411 -7.292 -2.916 1.00 73.05 77 A 1 ATOM 609 C CG1 . ILE A 0 77 . 1.205 -10.552 -3.553 1.00 73.05 77 A 1 ATOM 610 C CG2 . ILE A 0 77 . 1.971 -8.475 -4.750 1.00 73.05 77 A 1 ATOM 611 C CD1 . ILE A 0 77 . -0.165 -10.761 -4.212 1.00 73.05 77 A 1 ATOM 612 N N . THR A 0 78 . 2.674 -6.519 -1.738 1.00 68.86 78 A 1 ATOM 613 C CA . THR A 0 78 . 3.200 -5.145 -1.672 1.00 68.86 78 A 1 ATOM 614 C C . THR A 0 78 . 4.493 -5.069 -0.859 1.00 68.86 78 A 1 ATOM 615 C CB . THR A 0 78 . 2.148 -4.193 -1.093 1.00 68.86 78 A 1 ATOM 616 O O . THR A 0 78 . 5.440 -4.404 -1.279 1.00 68.86 78 A 1 ATOM 617 C CG2 . THR A 0 78 . 2.583 -2.729 -1.139 1.00 68.86 78 A 1 ATOM 618 O OG1 . THR A 0 78 . 0.972 -4.285 -1.855 1.00 68.86 78 A 1 ATOM 619 N N . TYR A 0 79 . 4.573 -5.793 0.262 1.00 68.71 79 A 1 ATOM 620 C CA . TYR A 0 79 . 5.763 -5.816 1.118 1.00 68.71 79 A 1 ATOM 621 C C . TYR A 0 79 . 6.988 -6.417 0.419 1.00 68.71 79 A 1 ATOM 622 C CB . TYR A 0 79 . 5.446 -6.594 2.400 1.00 68.71 79 A 1 ATOM 623 O O . TYR A 0 79 . 8.080 -5.855 0.486 1.00 68.71 79 A 1 ATOM 624 C CG . TYR A 0 79 . 6.595 -6.597 3.387 1.00 68.71 79 A 1 ATOM 625 C CD1 . TYR A 0 79 . 7.418 -7.732 3.529 1.00 68.71 79 A 1 ATOM 626 C CD2 . TYR A 0 79 . 6.859 -5.437 4.139 1.00 68.71 79 A 1 ATOM 627 C CE1 . TYR A 0 79 . 8.501 -7.707 4.428 1.00 68.71 79 A 1 ATOM 628 C CE2 . TYR A 0 79 . 7.940 -5.408 5.040 1.00 68.71 79 A 1 ATOM 629 O OH . TYR A 0 79 . 9.806 -6.522 6.056 1.00 68.71 79 A 1 ATOM 630 C CZ . TYR A 0 79 . 8.762 -6.545 5.185 1.00 68.71 79 A 1 ATOM 631 N N . ALA A 0 80 . 6.815 -7.532 -0.296 1.00 69.11 80 A 1 ATOM 632 C CA . ALA A 0 80 . 7.913 -8.171 -1.021 1.00 69.11 80 A 1 ATOM 633 C C . ALA A 0 80 . 8.512 -7.261 -2.110 1.00 69.11 80 A 1 ATOM 634 C CB . ALA A 0 80 . 7.391 -9.483 -1.617 1.00 69.11 80 A 1 ATOM 635 O O . ALA A 0 80 . 9.701 -7.358 -2.418 1.00 69.11 80 A 1 ATOM 636 N N . ASN A 0 81 . 7.704 -6.360 -2.670 1.00 66.81 81 A 1 ATOM 637 C CA . ASN A 0 81 . 8.114 -5.512 -3.781 1.00 66.81 81 A 1 ATOM 638 C C . ASN A 0 81 . 8.725 -4.171 -3.349 1.00 66.81 81 A 1 ATOM 639 C CB . ASN A 0 81 . 6.911 -5.349 -4.721 1.00 66.81 81 A 1 ATOM 640 O O . ASN A 0 81 . 9.421 -3.556 -4.153 1.00 66.81 81 A 1 ATOM 641 C CG . ASN A 0 81 . 6.614 -6.621 -5.492 1.00 66.81 81 A 1 ATOM 642 N ND2 . ASN A 0 81 . 5.378 -7.048 -5.549 1.00 66.81 81 A 1 ATOM 643 O OD1 . ASN A 0 81 . 7.486 -7.253 -6.060 1.00 66.81 81 A 1 ATOM 644 N N . SER A 0 82 . 8.514 -3.687 -2.118 1.00 58.17 82 A 1 ATOM 645 C CA . SER A 0 82 . 8.855 -2.308 -1.712 1.00 58.17 82 A 1 ATOM 646 C C . SER A 0 82 . 10.360 -2.017 -1.557 1.00 58.17 82 A 1 ATOM 647 C CB . SER A 0 82 . 8.065 -1.914 -0.457 1.00 58.17 82 A 1 ATOM 648 O O . SER A 0 82 . 10.751 -1.104 -0.829 1.00 58.17 82 A 1 ATOM 649 O OG . SER A 0 82 . 8.573 -2.560 0.694 1.00 58.17 82 A 1 ATOM 650 N N . ARG A 0 83 . 11.244 -2.765 -2.224 1.00 57.74 83 A 1 ATOM 651 C CA . ARG A 0 83 . 12.706 -2.661 -2.081 1.00 57.74 83 A 1 ATOM 652 C C . ARG A 0 83 . 13.321 -1.409 -2.745 1.00 57.74 83 A 1 ATOM 653 C CB . ARG A 0 83 . 13.342 -3.998 -2.510 1.00 57.74 83 A 1 ATOM 654 O O . ARG A 0 83 . 14.541 -1.288 -2.796 1.00 57.74 83 A 1 ATOM 655 C CG . ARG A 0 83 . 14.763 -4.179 -1.955 1.00 57.74 83 A 1 ATOM 656 C CD . ARG A 0 83 . 15.275 -5.604 -2.164 1.00 57.74 83 A 1 ATOM 657 N NE . ARG A 0 83 . 16.704 -5.693 -1.810 1.00 57.74 83 A 1 ATOM 658 N NH1 . ARG A 0 83 . 16.956 -7.944 -2.155 1.00 57.74 83 A 1 ATOM 659 N NH2 . ARG A 0 83 . 18.719 -6.715 -1.545 1.00 57.74 83 A 1 ATOM 660 C CZ . ARG A 0 83 . 17.450 -6.780 -1.837 1.00 57.74 83 A 1 ATOM 661 N N . THR A 0 84 . 12.515 -0.449 -3.195 1.00 54.55 84 A 1 ATOM 662 C CA . THR A 0 84 . 12.980 0.717 -3.958 1.00 54.55 84 A 1 ATOM 663 C C . THR A 0 84 . 13.053 2.001 -3.117 1.00 54.55 84 A 1 ATOM 664 C CB . THR A 0 84 . 12.101 0.904 -5.193 1.00 54.55 84 A 1 ATOM 665 O O . THR A 0 84 . 12.089 2.743 -2.987 1.00 54.55 84 A 1 ATOM 666 C CG2 . THR A 0 84 . 12.723 1.980 -6.066 1.00 54.55 84 A 1 ATOM 667 O OG1 . THR A 0 84 . 12.020 -0.309 -5.914 1.00 54.55 84 A 1 ATOM 668 N N . GLY A 0 85 . 14.212 2.264 -2.511 1.00 54.15 85 A 1 ATOM 669 C CA . GLY A 0 85 . 14.388 3.161 -1.356 1.00 54.15 85 A 1 ATOM 670 C C . GLY A 0 85 . 14.000 4.647 -1.467 1.00 54.15 85 A 1 ATOM 671 O O . GLY A 0 85 . 14.027 5.322 -0.440 1.00 54.15 85 A 1 ATOM 672 N N . GLU A 0 86 . 13.624 5.173 -2.631 1.00 57.01 86 A 1 ATOM 673 C CA . GLU A 0 86 . 13.335 6.608 -2.800 1.00 57.01 86 A 1 ATOM 674 C C . GLU A 0 86 . 11.824 6.888 -2.853 1.00 57.01 86 A 1 ATOM 675 C CB . GLU A 0 86 . 14.111 7.135 -4.018 1.00 57.01 86 A 1 ATOM 676 O O . GLU A 0 86 . 11.317 7.714 -2.081 1.00 57.01 86 A 1 ATOM 677 C CG . GLU A 0 86 . 15.624 7.081 -3.738 1.00 57.01 86 A 1 ATOM 678 C CD . GLU A 0 86 . 16.467 7.302 -4.995 1.00 57.01 86 A 1 ATOM 679 O OE1 . GLU A 0 86 . 16.943 8.447 -5.170 1.00 57.01 86 A 1 ATOM 680 O OE2 . GLU A 0 86 . 16.707 6.296 -5.700 1.00 57.01 86 A 1 ATOM 681 N N . ASP A 0 87 . 11.090 6.120 -3.660 1.00 62.80 87 A 1 ATOM 682 C CA . ASP A 0 87 . 9.638 6.267 -3.860 1.00 62.80 87 A 1 ATOM 683 C C . ASP A 0 87 . 8.806 5.362 -2.946 1.00 62.80 87 A 1 ATOM 684 C CB . ASP A 0 87 . 9.317 6.011 -5.333 1.00 62.80 87 A 1 ATOM 685 O O . ASP A 0 87 . 7.620 5.607 -2.697 1.00 62.80 87 A 1 ATOM 686 C CG . ASP A 0 87 . 10.143 6.957 -6.198 1.00 62.80 87 A 1 ATOM 687 O OD1 . ASP A 0 87 . 9.988 8.184 -6.003 1.00 62.80 87 A 1 ATOM 688 O OD2 . ASP A 0 87 . 10.989 6.426 -6.942 1.00 62.80 87 A 1 ATOM 689 N N . THR A 0 88 . 9.446 4.356 -2.345 1.00 68.05 88 A 1 ATOM 690 C CA . THR A 0 88 . 8.830 3.445 -1.377 1.00 68.05 88 A 1 ATOM 691 C C . THR A 0 88 . 8.152 4.185 -0.217 1.00 68.05 88 A 1 ATOM 692 C CB . THR A 0 88 . 9.893 2.447 -0.887 1.00 68.05 88 A 1 ATOM 693 O O . THR A 0 88 . 7.140 3.714 0.286 1.00 68.05 88 A 1 ATOM 694 C CG2 . THR A 0 88 . 9.571 1.727 0.405 1.00 68.05 88 A 1 ATOM 695 O OG1 . THR A 0 88 . 10.006 1.403 -1.814 1.00 68.05 88 A 1 ATOM 696 N N . LYS A 0 89 . 8.621 5.369 0.200 1.00 73.89 89 A 1 ATOM 697 C CA . LYS A 0 89 . 8.014 6.129 1.315 1.00 73.89 89 A 1 ATOM 698 C C . LYS A 0 89 . 6.563 6.559 1.055 1.00 73.89 89 A 1 ATOM 699 C CB . LYS A 0 89 . 8.903 7.334 1.669 1.00 73.89 89 A 1 ATOM 700 O O . LYS A 0 89 . 5.738 6.488 1.964 1.00 73.89 89 A 1 ATOM 701 C CG . LYS A 0 89 . 8.972 8.376 0.540 1.00 73.89 89 A 1 ATOM 702 C CD . LYS A 0 89 . 10.004 9.470 0.807 1.00 73.89 89 A 1 ATOM 703 C CE . LYS A 0 89 . 10.059 10.350 -0.446 1.00 73.89 89 A 1 ATOM 704 N NZ . LYS A 0 89 . 11.120 11.379 -0.361 1.00 73.89 89 A 1 ATOM 705 N N . GLN A 0 90 . 6.250 6.989 -0.168 1.00 76.30 90 A 1 ATOM 706 C CA . GLN A 0 90 . 4.906 7.440 -0.547 1.00 76.30 90 A 1 ATOM 707 C C . GLN A 0 90 . 3.971 6.245 -0.741 1.00 76.30 90 A 1 ATOM 708 C CB . GLN A 0 90 . 5.024 8.290 -1.819 1.00 76.30 90 A 1 ATOM 709 O O . GLN A 0 90 . 2.783 6.292 -0.432 1.00 76.30 90 A 1 ATOM 710 C CG . GLN A 0 90 . 3.668 8.837 -2.292 1.00 76.30 90 A 1 ATOM 711 C CD . GLN A 0 90 . 3.800 9.810 -3.458 1.00 76.30 90 A 1 ATOM 712 N NE2 . GLN A 0 90 . 2.743 10.044 -4.203 1.00 76.30 90 A 1 ATOM 713 O OE1 . GLN A 0 90 . 4.833 10.405 -3.703 1.00 76.30 90 A 1 ATOM 714 N N . LEU A 0 91 . 4.537 5.139 -1.207 1.00 73.62 91 A 1 ATOM 715 C CA . LEU A 0 91 . 3.823 3.886 -1.372 1.00 73.62 91 A 1 ATOM 716 C C . LEU A 0 91 . 3.525 3.242 -0.020 1.00 73.62 91 A 1 ATOM 717 C CB . LEU A 0 91 . 4.674 2.986 -2.269 1.00 73.62 91 A 1 ATOM 718 O O . LEU A 0 91 . 2.408 2.790 0.197 1.00 73.62 91 A 1 ATOM 719 C CG . LEU A 0 91 . 4.878 3.578 -3.677 1.00 73.62 91 A 1 ATOM 720 C CD1 . LEU A 0 91 . 6.044 2.865 -4.349 1.00 73.62 91 A 1 ATOM 721 C CD2 . LEU A 0 91 . 3.602 3.472 -4.506 1.00 73.62 91 A 1 ATOM 722 N N . ILE A 0 92 . 4.476 3.267 0.920 1.00 75.74 92 A 1 ATOM 723 C CA . ILE A 0 92 . 4.277 2.790 2.293 1.00 75.74 92 A 1 ATOM 724 C C . ILE A 0 92 . 3.213 3.626 3.000 1.00 75.74 92 A 1 ATOM 725 C CB . ILE A 0 92 . 5.602 2.771 3.089 1.00 75.74 92 A 1 ATOM 726 O O . ILE A 0 92 . 2.397 3.054 3.715 1.00 75.74 92 A 1 ATOM 727 C CG1 . ILE A 0 92 . 6.491 1.609 2.597 1.00 75.74 92 A 1 ATOM 728 C CG2 . ILE A 0 92 . 5.360 2.609 4.608 1.00 75.74 92 A 1 ATOM 729 C CD1 . ILE A 0 92 . 7.908 1.659 3.179 1.00 75.74 92 A 1 ATOM 730 N N . SER A 0 93 . 3.172 4.950 2.818 1.00 81.01 93 A 1 ATOM 731 C CA . SER A 0 93 . 2.108 5.754 3.430 1.00 81.01 93 A 1 ATOM 732 C C . SER A 0 93 . 0.734 5.415 2.842 1.00 81.01 93 A 1 ATOM 733 C CB . SER A 0 93 . 2.415 7.251 3.365 1.00 81.01 93 A 1 ATOM 734 O O . SER A 0 93 . -0.198 5.179 3.609 1.00 81.01 93 A 1 ATOM 735 O OG . SER A 0 93 . 2.517 7.706 2.036 1.00 81.01 93 A 1 ATOM 736 N N . GLY A 0 94 . 0.609 5.275 1.518 1.00 76.80 94 A 1 ATOM 737 C CA . GLY A 0 94 . -0.619 4.780 0.878 1.00 76.80 94 A 1 ATOM 738 C C . GLY A 0 94 . -1.008 3.370 1.341 1.00 76.80 94 A 1 ATOM 739 O O . GLY A 0 94 . -2.170 3.097 1.636 1.00 76.80 94 A 1 ATOM 740 N N . PHE A 0 95 . -0.020 2.496 1.507 1.00 75.28 95 A 1 ATOM 741 C CA . PHE A 0 95 . -0.190 1.140 2.011 1.00 75.28 95 A 1 ATOM 742 C C . PHE A 0 95 . -0.696 1.117 3.457 1.00 75.28 95 A 1 ATOM 743 C CB . PHE A 0 95 . 1.150 0.420 1.894 1.00 75.28 95 A 1 ATOM 744 O O . PHE A 0 95 . -1.686 0.455 3.759 1.00 75.28 95 A 1 ATOM 745 C CG . PHE A 0 95 . 1.110 -1.011 2.346 1.00 75.28 95 A 1 ATOM 746 C CD1 . PHE A 0 95 . 1.815 -1.430 3.488 1.00 75.28 95 A 1 ATOM 747 C CD2 . PHE A 0 95 . 0.397 -1.934 1.573 1.00 75.28 95 A 1 ATOM 748 C CE1 . PHE A 0 95 . 1.875 -2.799 3.801 1.00 75.28 95 A 1 ATOM 749 C CE2 . PHE A 0 95 . 0.448 -3.292 1.890 1.00 75.28 95 A 1 ATOM 750 C CZ . PHE A 0 95 . 1.220 -3.734 2.979 1.00 75.28 95 A 1 ATOM 751 N N . MET A 0 96 . -0.087 1.901 4.346 1.00 82.91 96 A 1 ATOM 752 C CA . MET A 0 96 . -0.530 2.037 5.734 1.00 82.91 96 A 1 ATOM 753 C C . MET A 0 96 . -1.965 2.562 5.813 1.00 82.91 96 A 1 ATOM 754 C CB . MET A 0 96 . 0.422 2.972 6.495 1.00 82.91 96 A 1 ATOM 755 O O . MET A 0 96 . -2.758 2.057 6.609 1.00 82.91 96 A 1 ATOM 756 C CG . MET A 0 96 . 1.778 2.316 6.774 1.00 82.91 96 A 1 ATOM 757 S SD . MET A 0 96 . 1.711 0.936 7.945 1.00 82.91 96 A 1 ATOM 758 C CE . MET A 0 96 . 3.441 0.410 7.873 1.00 82.91 96 A 1 ATOM 759 N N . LEU A 0 97 . -2.328 3.522 4.958 1.00 79.04 97 A 1 ATOM 760 C CA . LEU A 0 97 . -3.694 4.041 4.871 1.00 79.04 97 A 1 ATOM 761 C C . LEU A 0 97 . -4.679 2.973 4.390 1.00 79.04 97 A 1 ATOM 762 C CB . LEU A 0 97 . -3.715 5.265 3.941 1.00 79.04 97 A 1 ATOM 763 O O . LEU A 0 97 . -5.737 2.800 4.987 1.00 79.04 97 A 1 ATOM 764 C CG . LEU A 0 97 . -3.013 6.505 4.518 1.00 79.04 97 A 1 ATOM 765 C CD1 . LEU A 0 97 . -2.908 7.577 3.433 1.00 79.04 97 A 1 ATOM 766 C CD2 . LEU A 0 97 . -3.768 7.089 5.711 1.00 79.04 97 A 1 ATOM 767 N N . SER A 0 98 . -4.314 2.220 3.357 1.00 75.58 98 A 1 ATOM 768 C CA . SER A 0 98 . -5.165 1.171 2.798 1.00 75.58 98 A 1 ATOM 769 C C . SER A 0 98 . -5.386 -0.008 3.755 1.00 75.58 98 A 1 ATOM 770 C CB . SER A 0 98 . -4.564 0.708 1.481 1.00 75.58 98 A 1 ATOM 771 O O . SER A 0 98 . -6.520 -0.453 3.908 1.00 75.58 98 A 1 ATOM 772 O OG . SER A 0 98 . -3.341 0.047 1.720 1.00 75.58 98 A 1 ATOM 773 N N . ILE A 0 99 . -4.349 -0.462 4.475 1.00 77.57 99 A 1 ATOM 774 C CA . ILE A 0 99 . -4.482 -1.497 5.511 1.00 77.57 99 A 1 ATOM 775 C C . ILE A 0 99 . -5.343 -0.981 6.656 1.00 77.57 99 A 1 ATOM 776 C CB . ILE A 0 99 . -3.103 -1.951 6.037 1.00 77.57 99 A 1 ATOM 777 O O . ILE A 0 99 . -6.197 -1.706 7.159 1.00 77.57 99 A 1 ATOM 778 C CG1 . ILE A 0 99 . -2.378 -2.763 4.954 1.00 77.57 99 A 1 ATOM 779 C CG2 . ILE A 0 99 . -3.269 -2.819 7.306 1.00 77.57 99 A 1 ATOM 780 C CD1 . ILE A 0 99 . -0.904 -2.975 5.287 1.00 77.57 99 A 1 ATOM 781 N N . SER A 0 100 . -5.147 0.271 7.065 1.00 82.85 100 A 1 ATOM 782 C CA . SER A 0 100 . -5.940 0.862 8.143 1.00 82.85 100 A 1 ATOM 783 C C . SER A 0 100 . -7.416 0.963 7.754 1.00 82.85 100 A 1 ATOM 784 C CB . SER A 0 100 . -5.394 2.236 8.528 1.00 82.85 100 A 1 ATOM 785 O O . SER A 0 100 . -8.275 0.577 8.542 1.00 82.85 100 A 1 ATOM 786 O OG . SER A 0 100 . -4.046 2.131 8.942 1.00 82.85 100 A 1 ATOM 787 N N . ALA A 0 101 . -7.717 1.406 6.528 1.00 76.74 101 A 1 ATOM 788 C CA . ALA A 0 101 . -9.078 1.432 5.996 1.00 76.74 101 A 1 ATOM 789 C C . ALA A 0 101 . -9.693 0.024 5.967 1.00 76.74 101 A 1 ATOM 790 C CB . ALA A 0 101 . -9.050 2.076 4.605 1.00 76.74 101 A 1 ATOM 791 O O . ALA A 0 101 . -10.801 -0.168 6.456 1.00 76.74 101 A 1 ATOM 792 N N . LEU A 0 102 . -8.934 -0.973 5.506 1.00 73.10 102 A 1 ATOM 793 C CA . LEU A 0 102 . -9.333 -2.381 5.491 1.00 73.10 102 A 1 ATOM 794 C C . LEU A 0 102 . -9.634 -2.940 6.889 1.00 73.10 102 A 1 ATOM 795 C CB . LEU A 0 102 . -8.202 -3.184 4.826 1.00 73.10 102 A 1 ATOM 796 O O . LEU A 0 102 . -10.631 -3.636 7.063 1.00 73.10 102 A 1 ATOM 797 C CG . LEU A 0 102 . -8.264 -3.176 3.292 1.00 73.10 102 A 1 ATOM 798 C CD1 . LEU A 0 102 . -6.961 -3.728 2.710 1.00 73.10 102 A 1 ATOM 799 C CD2 . LEU A 0 102 . -9.417 -4.081 2.854 1.00 73.10 102 A 1 ATOM 800 N N . ILE A 0 103 . -8.807 -2.630 7.893 1.00 75.20 103 A 1 ATOM 801 C CA . ILE A 0 103 . -9.016 -3.067 9.285 1.00 75.20 103 A 1 ATOM 802 C C . ILE A 0 103 . -10.248 -2.385 9.891 1.00 75.20 103 A 1 ATOM 803 C CB . ILE A 0 103 . -7.750 -2.807 10.137 1.00 75.20 103 A 1 ATOM 804 O O . ILE A 0 103 . -11.025 -3.029 10.596 1.00 75.20 103 A 1 ATOM 805 C CG1 . ILE A 0 103 . -6.595 -3.733 9.691 1.00 75.20 103 A 1 ATOM 806 C CG2 . ILE A 0 103 . -8.027 -3.030 11.639 1.00 75.20 103 A 1 ATOM 807 C CD1 . ILE A 0 103 . -5.232 -3.334 10.274 1.00 75.20 103 A 1 ATOM 808 N N . ILE A 0 104 . -10.455 -1.096 9.611 1.00 76.31 104 A 1 ATOM 809 C CA . ILE A 0 104 . -11.652 -0.379 10.061 1.00 76.31 104 A 1 ATOM 810 C C . ILE A 0 104 . -12.897 -0.988 9.409 1.00 76.31 104 A 1 ATOM 811 C CB . ILE A 0 104 . -11.518 1.137 9.801 1.00 76.31 104 A 1 ATOM 812 O O . ILE A 0 104 . -13.839 -1.315 10.126 1.00 76.31 104 A 1 ATOM 813 C CG1 . ILE A 0 104 . -10.415 1.737 10.705 1.00 76.31 104 A 1 ATOM 814 C CG2 . ILE A 0 104 . -12.853 1.860 10.070 1.00 76.31 104 A 1 ATOM 815 C CD1 . ILE A 0 104 . -9.961 3.137 10.271 1.00 76.31 104 A 1 ATOM 816 N N . CYS A 0 105 . -12.890 -1.221 8.092 1.00 67.59 105 A 1 ATOM 817 C CA . CYS A 0 105 . -13.976 -1.897 7.376 1.00 67.59 105 A 1 ATOM 818 C C . CYS A 0 105 . -14.224 -3.314 7.911 1.00 67.59 105 A 1 ATOM 819 C CB . CYS A 0 105 . -13.636 -1.933 5.879 1.00 67.59 105 A 1 ATOM 820 O O . CYS A 0 105 . -15.374 -3.724 8.049 1.00 67.59 105 A 1 ATOM 821 S SG . CYS A 0 105 . -13.769 -0.267 5.166 1.00 67.59 105 A 1 ATOM 822 N N . TYR A 0 106 . -13.163 -4.029 8.290 1.00 70.11 106 A 1 ATOM 823 C CA . TYR A 0 106 . -13.265 -5.348 8.909 1.00 70.11 106 A 1 ATOM 824 C C . TYR A 0 106 . -13.999 -5.297 10.254 1.00 70.11 106 A 1 ATOM 825 C CB . TYR A 0 106 . -11.860 -5.942 9.062 1.00 70.11 106 A 1 ATOM 826 O O . TYR A 0 106 . -14.896 -6.099 10.500 1.00 70.11 106 A 1 ATOM 827 C CG . TYR A 0 106 . -11.866 -7.341 9.629 1.00 70.11 106 A 1 ATOM 828 C CD1 . TYR A 0 106 . -11.652 -7.555 11.005 1.00 70.11 106 A 1 ATOM 829 C CD2 . TYR A 0 106 . -12.131 -8.424 8.773 1.00 70.11 106 A 1 ATOM 830 C CE1 . TYR A 0 106 . -11.705 -8.862 11.527 1.00 70.11 106 A 1 ATOM 831 C CE2 . TYR A 0 106 . -12.180 -9.731 9.290 1.00 70.11 106 A 1 ATOM 832 O OH . TYR A 0 106 . -12.027 -11.213 11.162 1.00 70.11 106 A 1 ATOM 833 C CZ . TYR A 0 106 . -11.971 -9.950 10.666 1.00 70.11 106 A 1 ATOM 834 N N . MET A 0 107 . -13.668 -4.326 11.110 1.00 65.44 107 A 1 ATOM 835 C CA . MET A 0 107 . -14.371 -4.123 12.383 1.00 65.44 107 A 1 ATOM 836 C C . MET A 0 107 . -15.799 -3.602 12.189 1.00 65.44 107 A 1 ATOM 837 C CB . MET A 0 107 . -13.578 -3.143 13.258 1.00 65.44 107 A 1 ATOM 838 O O . MET A 0 107 . -16.658 -3.838 13.038 1.00 65.44 107 A 1 ATOM 839 C CG . MET A 0 107 . -12.273 -3.749 13.790 1.00 65.44 107 A 1 ATOM 840 S SD . MET A 0 107 . -12.450 -5.158 14.926 1.00 65.44 107 A 1 ATOM 841 C CE . MET A 0 107 . -13.299 -4.371 16.321 1.00 65.44 107 A 1 ATOM 842 N N . HIS A 0 108 . -16.056 -2.881 11.096 1.00 65.15 108 A 1 ATOM 843 C CA . HIS A 0 108 . -17.352 -2.267 10.829 1.00 65.15 108 A 1 ATOM 844 C C . HIS A 0 108 . -18.367 -3.204 10.171 1.00 65.15 108 A 1 ATOM 845 C CB . HIS A 0 108 . -17.180 -0.974 10.023 1.00 65.15 108 A 1 ATOM 846 O O . HIS A 0 108 . -19.545 -2.855 10.142 1.00 65.15 108 A 1 ATOM 847 C CG . HIS A 0 108 . -18.138 0.091 10.480 1.00 65.15 108 A 1 ATOM 848 C CD2 . HIS A 0 108 . -19.345 0.423 9.929 1.00 65.15 108 A 1 ATOM 849 N ND1 . HIS A 0 108 . -17.959 0.887 11.587 1.00 65.15 108 A 1 ATOM 850 C CE1 . HIS A 0 108 . -19.028 1.691 11.696 1.00 65.15 108 A 1 ATOM 851 N NE2 . HIS A 0 108 . -19.898 1.451 10.706 1.00 65.15 108 A 1 ATOM 852 N N . ASN A 0 109 . -17.961 -4.391 9.705 1.00 61.68 109 A 1 ATOM 853 C CA . ASN A 0 109 . -18.886 -5.407 9.207 1.00 61.68 109 A 1 ATOM 854 C C . ASN A 0 109 . -19.040 -6.588 10.188 1.00 61.68 109 A 1 ATOM 855 C CB . ASN A 0 109 . -18.500 -5.839 7.782 1.00 61.68 109 A 1 ATOM 856 O O . ASN A 0 109 . -18.569 -7.696 9.921 1.00 61.68 109 A 1 ATOM 857 C CG . ASN A 0 109 . -19.586 -6.724 7.188 1.00 61.68 109 A 1 ATOM 858 N ND2 . ASN A 0 109 . -19.299 -7.442 6.131 1.00 61.68 109 A 1 ATOM 859 O OD1 . ASN A 0 109 . -20.697 -6.803 7.690 1.00 61.68 109 A 1 ATOM 860 N N . PRO A 0 110 . -19.727 -6.398 11.330 1.00 51.40 110 A 1 ATOM 861 C CA . PRO A 0 110 . -20.107 -7.496 12.197 1.00 51.40 110 A 1 ATOM 862 C C . PRO A 0 110 . -21.329 -8.255 11.667 1.00 51.40 110 A 1 ATOM 863 C CB . PRO A 0 110 . -20.370 -6.839 13.557 1.00 51.40 110 A 1 ATOM 864 O O . PRO A 0 110 . -21.890 -9.015 12.448 1.00 51.40 110 A 1 ATOM 865 C CG . PRO A 0 110 . -20.983 -5.501 13.159 1.00 51.40 110 A 1 ATOM 866 C CD . PRO A 0 110 . -20.207 -5.145 11.895 1.00 51.40 110 A 1 ATOM 867 N N . GLN A 0 111 . -21.793 -8.052 10.420 1.00 57.90 111 A 1 ATOM 868 C CA . GLN A 0 111 . -23.046 -8.650 9.953 1.00 57.90 111 A 1 ATOM 869 C C . GLN A 0 111 . -22.894 -10.173 9.832 1.00 57.90 111 A 1 ATOM 870 C CB . GLN A 0 111 . -23.547 -8.029 8.641 1.00 57.90 111 A 1 ATOM 871 O O . GLN A 0 111 . -22.334 -10.677 8.855 1.00 57.90 111 A 1 ATOM 872 C CG . GLN A 0 111 . -23.858 -6.530 8.787 1.00 57.90 111 A 1 ATOM 873 C CD . GLN A 0 111 . -24.653 -5.967 7.613 1.00 57.90 111 A 1 ATOM 874 N NE2 . GLN A 0 111 . -25.125 -4.744 7.712 1.00 57.90 111 A 1 ATOM 875 O OE1 . GLN A 0 111 . -24.934 -6.609 6.618 1.00 57.90 111 A 1 ATOM 876 N N . PRO A 0 112 . -23.427 -10.953 10.789 1.00 49.31 112 A 1 ATOM 877 C CA . PRO A 0 112 . -23.448 -12.393 10.705 1.00 49.31 112 A 1 ATOM 878 C C . PRO A 0 112 . -24.706 -12.732 9.915 1.00 49.31 112 A 1 ATOM 879 C CB . PRO A 0 112 . -23.466 -12.861 12.163 1.00 49.31 112 A 1 ATOM 880 O O . PRO A 0 112 . -25.689 -13.209 10.474 1.00 49.31 112 A 1 ATOM 881 C CG . PRO A 0 112 . -24.181 -11.731 12.915 1.00 49.31 112 A 1 ATOM 882 C CD . PRO A 0 112 . -24.291 -10.587 11.908 1.00 49.31 112 A 1 ATOM 883 N N . MET A 0 113 . -24.737 -12.402 8.626 1.00 56.57 113 A 1 ATOM 884 C CA . MET A 0 113 . -25.850 -12.814 7.790 1.00 56.57 113 A 1 ATOM 885 C C . MET A 0 113 . -25.464 -14.053 6.989 1.00 56.57 113 A 1 ATOM 886 C CB . MET A 0 113 . -26.527 -11.644 7.055 1.00 56.57 113 A 1 ATOM 887 O O . MET A 0 113 . -24.923 -13.981 5.897 1.00 56.57 113 A 1 ATOM 888 C CG . MET A 0 113 . -27.473 -10.906 8.031 1.00 56.57 113 A 1 ATOM 889 S SD . MET A 0 113 . -29.099 -10.450 7.366 1.00 56.57 113 A 1 ATOM 890 C CE . MET A 0 113 . -28.706 -8.794 6.743 1.00 56.57 113 A 1 ATOM 891 N N . GLN A 0 114 . -25.801 -15.181 7.630 1.00 61.71 114 A 1 ATOM 892 C CA . GLN A 0 114 . -26.408 -16.381 7.050 1.00 61.71 114 A 1 ATOM 893 C C . GLN A 0 114 . -25.656 -17.004 5.868 1.00 61.71 114 A 1 ATOM 894 C CB . GLN A 0 114 . -27.927 -16.161 6.802 1.00 61.71 114 A 1 ATOM 895 O O . GLN A 0 114 . -25.702 -16.511 4.751 1.00 61.71 114 A 1 ATOM 896 C CG . GLN A 0 114 . -28.341 -14.744 6.350 1.00 61.71 114 A 1 ATOM 897 C CD . GLN A 0 114 . -29.836 -14.506 6.271 1.00 61.71 114 A 1 ATOM 898 N NE2 . GLN A 0 114 . -30.398 -13.680 7.132 1.00 61.71 114 A 1 ATOM 899 O OE1 . GLN A 0 114 . -30.534 -15.037 5.434 1.00 61.71 114 A 1 ATOM 900 N N . LEU A 0 115 . -25.032 -18.161 6.124 1.00 61.12 115 A 1 ATOM 901 C CA . LEU A 0 115 . -24.797 -19.172 5.097 1.00 61.12 115 A 1 ATOM 902 C C . LEU A 0 115 . -26.166 -19.528 4.490 1.00 61.12 115 A 1 ATOM 903 C CB . LEU A 0 115 . -24.218 -20.465 5.733 1.00 61.12 115 A 1 ATOM 904 O O . LEU A 0 115 . -26.980 -20.113 5.213 1.00 61.12 115 A 1 ATOM 905 C CG . LEU A 0 115 . -22.760 -20.473 6.225 1.00 61.12 115 A 1 ATOM 906 C CD1 . LEU A 0 115 . -22.542 -19.681 7.521 1.00 61.12 115 A 1 ATOM 907 C CD2 . LEU A 0 115 . -22.331 -21.917 6.502 1.00 61.12 115 A 1 ATOM 908 N N . PRO A 0 116 . -26.471 -19.242 3.215 1.00 63.23 116 A 1 ATOM 909 C CA . PRO A 0 116 . -27.288 -20.192 2.498 1.00 63.23 116 A 1 ATOM 910 C C . PRO A 0 116 . -26.329 -21.345 2.142 1.00 63.23 116 A 1 ATOM 911 C CB . PRO A 0 116 . -27.835 -19.371 1.334 1.00 63.23 116 A 1 ATOM 912 O O . PRO A 0 116 . -25.241 -21.071 1.651 1.00 63.23 116 A 1 ATOM 913 C CG . PRO A 0 116 . -26.655 -18.474 0.950 1.00 63.23 116 A 1 ATOM 914 C CD . PRO A 0 116 . -25.890 -18.287 2.266 1.00 63.23 116 A 1 ATOM 915 N N . TRP A 0 117 . -26.711 -22.588 2.448 1.00 55.06 117 A 1 ATOM 916 C CA . TRP A 0 117 . -26.006 -23.861 2.172 1.00 55.06 117 A 1 ATOM 917 C C . TRP A 0 117 . -24.704 -24.175 2.944 1.00 55.06 117 A 1 ATOM 918 C CB . TRP A 0 117 . -25.962 -24.155 0.659 1.00 55.06 117 A 1 ATOM 919 O O . TRP A 0 117 . -23.632 -23.573 2.709 1.00 55.06 117 A 1 ATOM 920 C CG . TRP A 0 117 . -25.274 -23.147 -0.213 1.00 55.06 117 A 1 ATOM 921 C CD1 . TRP A 0 117 . -23.936 -22.986 -0.299 1.00 55.06 117 A 1 ATOM 922 C CD2 . TRP A 0 117 . -25.853 -22.039 -0.977 1.00 55.06 117 A 1 ATOM 923 C CE2 . TRP A 0 117 . -24.788 -21.228 -1.473 1.00 55.06 117 A 1 ATOM 924 C CE3 . TRP A 0 117 . -27.167 -21.591 -1.234 1.00 55.06 117 A 1 ATOM 925 N NE1 . TRP A 0 117 . -23.642 -21.872 -1.059 1.00 55.06 117 A 1 ATOM 926 C CH2 . TRP A 0 117 . -26.332 -19.627 -2.429 1.00 55.06 117 A 1 ATOM 927 C CZ2 . TRP A 0 117 . -25.011 -20.043 -2.189 1.00 55.06 117 A 1 ATOM 928 C CZ3 . TRP A 0 117 . -27.405 -20.402 -1.955 1.00 55.06 117 A 1 ATOM 929 O OXT . TRP A 0 117 . -24.823 -25.100 3.776 1.00 55.06 117 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 61.92 # loop_ _atom_type.symbol C N O S #