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 SER 0 3 ASP 0 4 SER 0 5 ARG 0 6 GLU 0 7 ASP 0 8 PRO 0 9 PRO 0 10 TYR 0 11 PRO 0 12 LYS 0 13 SER 0 14 THR 0 15 GLU 0 16 VAL 0 17 ASP 0 18 GLY 0 19 PHE 0 20 PRO 0 21 GLN 0 22 PRO 0 23 TYR 0 24 PRO 0 25 PRO 0 26 GLN 0 27 TYR 0 28 PRO 0 29 ASP 0 30 THR 0 31 VAL 0 32 ILE 0 33 ALA 0 34 GLU 0 35 GLN 0 36 PRO 0 37 CYS 0 38 PRO 0 39 VAL 0 40 ILE 0 41 THR 0 42 ASP 0 43 SER 0 44 HIS 0 45 PHE 0 46 ALA 0 47 PRO 0 48 GLY 0 49 PRO 0 50 ASP 0 51 PRO 0 52 VAL 0 53 ASN 0 54 THR 0 55 MET 0 56 CYS 0 57 PRO 0 58 TYR 0 59 CYS 0 60 HIS 0 61 LYS 0 62 ASP 0 63 ILE 0 64 THR 0 65 THR 0 66 VAL 0 67 VAL 0 68 THR 0 69 TYR 0 70 LYS 0 71 ILE 0 72 GLY 0 73 ILE 0 74 LEU 0 75 THR 0 76 TRP 0 77 VAL 0 78 GLY 0 79 CYS 0 80 PHE 0 81 GLY 0 82 ILE 0 83 PHE 0 84 LEU 0 85 VAL 0 86 GLY 0 87 GLY 0 88 ILE 0 89 PHE 0 90 GLY 0 91 CYS 0 92 CYS 0 93 LEU 0 94 ILE 0 95 PRO 0 96 PHE 0 97 CYS 0 98 CYS 0 99 ASP 0 100 SER 0 101 CYS 0 102 LYS 0 103 ASP 0 104 ALA 0 105 ASP 0 106 HIS 0 107 ARG 0 108 CYS 0 109 PRO 0 110 VAL 0 111 CYS 0 112 ASN 0 113 ARG 0 114 ASP 0 115 LEU 0 116 GLY 0 117 LEU 0 118 TYR 0 119 ARG 0 120 ARG 0 121 CYS # 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 . -41.102 -14.611 47.436 1.00 50.71 1 A 1 ATOM 2 C CA . MET A 0 1 . -40.104 -15.606 47.865 1.00 50.71 1 A 1 ATOM 3 C C . MET A 0 1 . -39.832 -16.534 46.706 1.00 50.71 1 A 1 ATOM 4 C CB . MET A 0 1 . -40.553 -16.416 49.087 1.00 50.71 1 A 1 ATOM 5 O O . MET A 0 1 . -40.768 -16.967 46.049 1.00 50.71 1 A 1 ATOM 6 C CG . MET A 0 1 . -39.974 -15.875 50.395 1.00 50.71 1 A 1 ATOM 7 S SD . MET A 0 1 . -40.679 -14.320 50.994 1.00 50.71 1 A 1 ATOM 8 C CE . MET A 0 1 . -40.248 -14.508 52.752 1.00 50.71 1 A 1 ATOM 9 N N . SER A 0 2 . -38.547 -16.713 46.459 1.00 62.96 2 A 1 ATOM 10 C CA . SER A 0 2 . -37.885 -17.542 45.465 1.00 62.96 2 A 1 ATOM 11 C C . SER A 0 2 . -38.341 -18.995 45.527 1.00 62.96 2 A 1 ATOM 12 C CB . SER A 0 2 . -36.384 -17.503 45.813 1.00 62.96 2 A 1 ATOM 13 O O . SER A 0 2 . -38.451 -19.528 46.626 1.00 62.96 2 A 1 ATOM 14 O OG . SER A 0 2 . -36.005 -16.239 46.363 1.00 62.96 2 A 1 ATOM 15 N N . ASP A 0 3 . -38.514 -19.638 44.378 1.00 56.93 3 A 1 ATOM 16 C CA . ASP A 0 3 . -38.219 -21.064 44.295 1.00 56.93 3 A 1 ATOM 17 C C . ASP A 0 3 . -37.570 -21.368 42.945 1.00 56.93 3 A 1 ATOM 18 C CB . ASP A 0 3 . -39.430 -21.947 44.605 1.00 56.93 3 A 1 ATOM 19 O O . ASP A 0 3 . -38.028 -20.938 41.880 1.00 56.93 3 A 1 ATOM 20 C CG . ASP A 0 3 . -38.968 -23.352 45.001 1.00 56.93 3 A 1 ATOM 21 O OD1 . ASP A 0 3 . -38.043 -23.434 45.841 1.00 56.93 3 A 1 ATOM 22 O OD2 . ASP A 0 3 . -39.551 -24.311 44.457 1.00 56.93 3 A 1 ATOM 23 N N . SER A 0 4 . -36.403 -21.980 43.057 1.00 65.70 4 A 1 ATOM 24 C CA . SER A 0 4 . -35.378 -22.130 42.040 1.00 65.70 4 A 1 ATOM 25 C C . SER A 0 4 . -35.758 -23.261 41.092 1.00 65.70 4 A 1 ATOM 26 C CB . SER A 0 4 . -34.062 -22.457 42.754 1.00 65.70 4 A 1 ATOM 27 O O . SER A 0 4 . -35.897 -24.402 41.516 1.00 65.70 4 A 1 ATOM 28 O OG . SER A 0 4 . -33.739 -21.446 43.700 1.00 65.70 4 A 1 ATOM 29 N N . ARG A 0 5 . -35.891 -22.974 39.794 1.00 68.44 5 A 1 ATOM 30 C CA . ARG A 0 5 . -35.920 -24.038 38.784 1.00 68.44 5 A 1 ATOM 31 C C . ARG A 0 5 . -34.493 -24.545 38.596 1.00 68.44 5 A 1 ATOM 32 C CB . ARG A 0 5 . -36.554 -23.568 37.467 1.00 68.44 5 A 1 ATOM 33 O O . ARG A 0 5 . -33.674 -23.869 37.985 1.00 68.44 5 A 1 ATOM 34 C CG . ARG A 0 5 . -38.061 -23.325 37.623 1.00 68.44 5 A 1 ATOM 35 C CD . ARG A 0 5 . -38.710 -23.112 36.252 1.00 68.44 5 A 1 ATOM 36 N NE . ARG A 0 5 . -40.143 -22.772 36.385 1.00 68.44 5 A 1 ATOM 37 N NH1 . ARG A 0 5 . -40.000 -20.528 35.911 1.00 68.44 5 A 1 ATOM 38 N NH2 . ARG A 0 5 . -41.980 -21.429 36.406 1.00 68.44 5 A 1 ATOM 39 C CZ . ARG A 0 5 . -40.697 -21.583 36.233 1.00 68.44 5 A 1 ATOM 40 N N . GLU A 0 6 . -34.204 -25.698 39.185 1.00 69.91 6 A 1 ATOM 41 C CA . GLU A 0 6 . -33.032 -26.515 38.878 1.00 69.91 6 A 1 ATOM 42 C C . GLU A 0 6 . -33.192 -27.090 37.462 1.00 69.91 6 A 1 ATOM 43 C CB . GLU A 0 6 . -32.904 -27.634 39.932 1.00 69.91 6 A 1 ATOM 44 O O . GLU A 0 6 . -34.067 -27.923 37.220 1.00 69.91 6 A 1 ATOM 45 C CG . GLU A 0 6 . -32.385 -27.104 41.278 1.00 69.91 6 A 1 ATOM 46 C CD . GLU A 0 6 . -32.646 -28.094 42.423 1.00 69.91 6 A 1 ATOM 47 O OE1 . GLU A 0 6 . -31.792 -28.983 42.643 1.00 69.91 6 A 1 ATOM 48 O OE2 . GLU A 0 6 . -33.693 -27.936 43.086 1.00 69.91 6 A 1 ATOM 49 N N . ASP A 0 7 . -32.372 -26.627 36.516 1.00 68.51 7 A 1 ATOM 50 C CA . ASP A 0 7 . -32.272 -27.243 35.193 1.00 68.51 7 A 1 ATOM 51 C C . ASP A 0 7 . -31.382 -28.505 35.254 1.00 68.51 7 A 1 ATOM 52 C CB . ASP A 0 7 . -31.778 -26.241 34.137 1.00 68.51 7 A 1 ATOM 53 O O . ASP A 0 7 . -30.356 -28.515 35.945 1.00 68.51 7 A 1 ATOM 54 C CG . ASP A 0 7 . -32.903 -25.344 33.605 1.00 68.51 7 A 1 ATOM 55 O OD1 . ASP A 0 7 . -33.927 -25.903 33.147 1.00 68.51 7 A 1 ATOM 56 O OD2 . ASP A 0 7 . -32.720 -24.106 33.614 1.00 68.51 7 A 1 ATOM 57 N N . PRO A 0 8 . -31.762 -29.590 34.553 1.00 70.03 8 A 1 ATOM 58 C CA . PRO A 0 8 . -31.107 -30.890 34.657 1.00 70.03 8 A 1 ATOM 59 C C . PRO A 0 8 . -29.697 -30.916 34.029 1.00 70.03 8 A 1 ATOM 60 C CB . PRO A 0 8 . -32.063 -31.880 33.982 1.00 70.03 8 A 1 ATOM 61 O O . PRO A 0 8 . -29.396 -30.131 33.126 1.00 70.03 8 A 1 ATOM 62 C CG . PRO A 0 8 . -32.805 -31.013 32.965 1.00 70.03 8 A 1 ATOM 63 C CD . PRO A 0 8 . -32.916 -29.669 33.675 1.00 70.03 8 A 1 ATOM 64 N N . PRO A 0 9 . -28.822 -31.856 34.445 1.00 70.14 9 A 1 ATOM 65 C CA . PRO A 0 9 . -27.458 -31.958 33.929 1.00 70.14 9 A 1 ATOM 66 C C . PRO A 0 9 . -27.434 -32.301 32.431 1.00 70.14 9 A 1 ATOM 67 C CB . PRO A 0 9 . -26.765 -33.045 34.766 1.00 70.14 9 A 1 ATOM 68 O O . PRO A 0 9 . -28.001 -33.309 32.008 1.00 70.14 9 A 1 ATOM 69 C CG . PRO A 0 9 . -27.664 -33.226 35.988 1.00 70.14 9 A 1 ATOM 70 C CD . PRO A 0 9 . -29.049 -32.855 35.475 1.00 70.14 9 A 1 ATOM 71 N N . TYR A 0 10 . -26.734 -31.493 31.628 1.00 55.82 10 A 1 ATOM 72 C CA . TYR A 0 10 . -26.511 -31.766 30.205 1.00 55.82 10 A 1 ATOM 73 C C . TYR A 0 10 . -25.645 -33.033 30.007 1.00 55.82 10 A 1 ATOM 74 C CB . TYR A 0 10 . -25.868 -30.540 29.538 1.00 55.82 10 A 1 ATOM 75 O O . TYR A 0 10 . -24.608 -33.172 30.667 1.00 55.82 10 A 1 ATOM 76 C CG . TYR A 0 10 . -25.643 -30.681 28.041 1.00 55.82 10 A 1 ATOM 77 C CD1 . TYR A 0 10 . -24.401 -31.129 27.551 1.00 55.82 10 A 1 ATOM 78 C CD2 . TYR A 0 10 . -26.680 -30.373 27.139 1.00 55.82 10 A 1 ATOM 79 C CE1 . TYR A 0 10 . -24.194 -31.273 26.165 1.00 55.82 10 A 1 ATOM 80 C CE2 . TYR A 0 10 . -26.478 -30.519 25.752 1.00 55.82 10 A 1 ATOM 81 O OH . TYR A 0 10 . -25.046 -31.118 23.924 1.00 55.82 10 A 1 ATOM 82 C CZ . TYR A 0 10 . -25.235 -30.972 25.262 1.00 55.82 10 A 1 ATOM 83 N N . PRO A 0 11 . -26.019 -33.957 29.100 1.00 65.82 11 A 1 ATOM 84 C CA . PRO A 0 11 . -25.264 -35.182 28.850 1.00 65.82 11 A 1 ATOM 85 C C . PRO A 0 11 . -23.960 -34.897 28.085 1.00 65.82 11 A 1 ATOM 86 C CB . PRO A 0 11 . -26.220 -36.091 28.068 1.00 65.82 11 A 1 ATOM 87 O O . PRO A 0 11 . -23.961 -34.248 27.043 1.00 65.82 11 A 1 ATOM 88 C CG . PRO A 0 11 . -27.127 -35.108 27.328 1.00 65.82 11 A 1 ATOM 89 C CD . PRO A 0 11 . -27.227 -33.925 28.287 1.00 65.82 11 A 1 ATOM 90 N N . LYS A 0 12 . -22.827 -35.424 28.574 1.00 59.01 12 A 1 ATOM 91 C CA . LYS A 0 12 . -21.549 -35.411 27.840 1.00 59.01 12 A 1 ATOM 92 C C . LYS A 0 12 . -21.696 -36.216 26.545 1.00 59.01 12 A 1 ATOM 93 C CB . LYS A 0 12 . -20.409 -35.998 28.694 1.00 59.01 12 A 1 ATOM 94 O O . LYS A 0 12 . -21.923 -37.424 26.602 1.00 59.01 12 A 1 ATOM 95 C CG . LYS A 0 12 . -19.889 -35.036 29.771 1.00 59.01 12 A 1 ATOM 96 C CD . LYS A 0 12 . -18.747 -35.693 30.560 1.00 59.01 12 A 1 ATOM 97 C CE . LYS A 0 12 . -18.257 -34.759 31.671 1.00 59.01 12 A 1 ATOM 98 N NZ . LYS A 0 12 . -17.296 -35.443 32.571 1.00 59.01 12 A 1 ATOM 99 N N . SER A 0 13 . -21.543 -35.560 25.396 1.00 57.10 13 A 1 ATOM 100 C CA . SER A 0 13 . -21.489 -36.217 24.090 1.00 57.10 13 A 1 ATOM 101 C C . SER A 0 13 . -20.280 -37.147 24.034 1.00 57.10 13 A 1 ATOM 102 C CB . SER A 0 13 . -21.443 -35.187 22.957 1.00 57.10 13 A 1 ATOM 103 O O . SER A 0 13 . -19.135 -36.711 24.142 1.00 57.10 13 A 1 ATOM 104 O OG . SER A 0 13 . -20.445 -34.219 23.217 1.00 57.10 13 A 1 ATOM 105 N N . THR A 0 14 . -20.577 -38.434 23.912 1.00 56.14 14 A 1 ATOM 106 C CA . THR A 0 14 . -19.630 -39.513 23.660 1.00 56.14 14 A 1 ATOM 107 C C . THR A 0 14 . -19.183 -39.440 22.201 1.00 56.14 14 A 1 ATOM 108 C CB . THR A 0 14 . -20.259 -40.888 23.984 1.00 56.14 14 A 1 ATOM 109 O O . THR A 0 14 . -19.990 -39.223 21.301 1.00 56.14 14 A 1 ATOM 110 C CG2 . THR A 0 14 . -19.423 -41.661 25.003 1.00 56.14 14 A 1 ATOM 111 O OG1 . THR A 0 14 . -21.542 -40.759 24.572 1.00 56.14 14 A 1 ATOM 112 N N . GLU A 0 15 . -17.878 -39.572 22.012 1.00 46.98 15 A 1 ATOM 113 C CA . GLU A 0 15 . -17.142 -39.627 20.751 1.00 46.98 15 A 1 ATOM 114 C C . GLU A 0 15 . -17.692 -40.752 19.855 1.00 46.98 15 A 1 ATOM 115 C CB . GLU A 0 15 . -15.684 -39.858 21.195 1.00 46.98 15 A 1 ATOM 116 O O . GLU A 0 15 . -17.724 -41.911 20.266 1.00 46.98 15 A 1 ATOM 117 C CG . GLU A 0 15 . -14.575 -39.610 20.171 1.00 46.98 15 A 1 ATOM 118 C CD . GLU A 0 15 . -13.212 -39.594 20.893 1.00 46.98 15 A 1 ATOM 119 O OE1 . GLU A 0 15 . -12.350 -40.438 20.572 1.00 46.98 15 A 1 ATOM 120 O OE2 . GLU A 0 15 . -13.053 -38.741 21.800 1.00 46.98 15 A 1 ATOM 121 N N . VAL A 0 16 . -18.179 -40.412 18.658 1.00 54.74 16 A 1 ATOM 122 C CA . VAL A 0 16 . -18.602 -41.384 17.639 1.00 54.74 16 A 1 ATOM 123 C C . VAL A 0 16 . -17.736 -41.177 16.403 1.00 54.74 16 A 1 ATOM 124 C CB . VAL A 0 16 . -20.111 -41.305 17.317 1.00 54.74 16 A 1 ATOM 125 O O . VAL A 0 16 . -17.881 -40.188 15.685 1.00 54.74 16 A 1 ATOM 126 C CG1 . VAL A 0 16 . -20.515 -42.288 16.205 1.00 54.74 16 A 1 ATOM 127 C CG2 . VAL A 0 16 . -20.960 -41.652 18.549 1.00 54.74 16 A 1 ATOM 128 N N . ASP A 0 17 . -16.839 -42.137 16.185 1.00 45.86 17 A 1 ATOM 129 C CA . ASP A 0 17 . -16.113 -42.386 14.941 1.00 45.86 17 A 1 ATOM 130 C C . ASP A 0 17 . -17.066 -42.400 13.733 1.00 45.86 17 A 1 ATOM 131 C CB . ASP A 0 17 . -15.442 -43.770 15.045 1.00 45.86 17 A 1 ATOM 132 O O . ASP A 0 17 . -18.022 -43.179 13.693 1.00 45.86 17 A 1 ATOM 133 C CG . ASP A 0 17 . -14.076 -43.740 15.723 1.00 45.86 17 A 1 ATOM 134 O OD1 . ASP A 0 17 . -13.230 -42.967 15.223 1.00 45.86 17 A 1 ATOM 135 O OD2 . ASP A 0 17 . -13.880 -44.542 16.663 1.00 45.86 17 A 1 ATOM 136 N N . GLY A 0 18 . -16.810 -41.571 12.714 1.00 43.18 18 A 1 ATOM 137 C CA . GLY A 0 18 . -17.653 -41.567 11.518 1.00 43.18 18 A 1 ATOM 138 C C . GLY A 0 18 . -17.258 -40.597 10.403 1.00 43.18 18 A 1 ATOM 139 O O . GLY A 0 18 . -17.747 -39.476 10.356 1.00 43.18 18 A 1 ATOM 140 N N . PHE A 0 19 . -16.501 -41.129 9.437 1.00 48.40 19 A 1 ATOM 141 C CA . PHE A 0 19 . -16.354 -40.713 8.028 1.00 48.40 19 A 1 ATOM 142 C C . PHE A 0 19 . -15.501 -39.466 7.680 1.00 48.40 19 A 1 ATOM 143 C CB . PHE A 0 19 . -17.715 -40.703 7.319 1.00 48.40 19 A 1 ATOM 144 O O . PHE A 0 19 . -15.888 -38.336 7.980 1.00 48.40 19 A 1 ATOM 145 C CG . PHE A 0 19 . -18.320 -42.089 7.222 1.00 48.40 19 A 1 ATOM 146 C CD1 . PHE A 0 19 . -17.933 -42.944 6.173 1.00 48.40 19 A 1 ATOM 147 C CD2 . PHE A 0 19 . -19.214 -42.549 8.207 1.00 48.40 19 A 1 ATOM 148 C CE1 . PHE A 0 19 . -18.437 -44.255 6.108 1.00 48.40 19 A 1 ATOM 149 C CE2 . PHE A 0 19 . -19.712 -43.862 8.145 1.00 48.40 19 A 1 ATOM 150 C CZ . PHE A 0 19 . -19.325 -44.715 7.097 1.00 48.40 19 A 1 ATOM 151 N N . PRO A 0 20 . -14.391 -39.638 6.923 1.00 51.62 20 A 1 ATOM 152 C CA . PRO A 0 20 . -13.612 -38.527 6.376 1.00 51.62 20 A 1 ATOM 153 C C . PRO A 0 20 . -14.423 -37.740 5.338 1.00 51.62 20 A 1 ATOM 154 C CB . PRO A 0 20 . -12.346 -39.138 5.750 1.00 51.62 20 A 1 ATOM 155 O O . PRO A 0 20 . -14.836 -38.284 4.313 1.00 51.62 20 A 1 ATOM 156 C CG . PRO A 0 20 . -12.307 -40.573 6.269 1.00 51.62 20 A 1 ATOM 157 C CD . PRO A 0 20 . -13.770 -40.897 6.537 1.00 51.62 20 A 1 ATOM 158 N N . GLN A 0 21 . -14.633 -36.448 5.589 1.00 50.38 21 A 1 ATOM 159 C CA . GLN A 0 21 . -15.146 -35.505 4.593 1.00 50.38 21 A 1 ATOM 160 C C . GLN A 0 21 . -14.049 -35.209 3.544 1.00 50.38 21 A 1 ATOM 161 C CB . GLN A 0 21 . -15.606 -34.210 5.285 1.00 50.38 21 A 1 ATOM 162 O O . GLN A 0 21 . -12.883 -35.066 3.925 1.00 50.38 21 A 1 ATOM 163 C CG . GLN A 0 21 . -16.816 -34.394 6.219 1.00 50.38 21 A 1 ATOM 164 C CD . GLN A 0 21 . -18.115 -34.655 5.460 1.00 50.38 21 A 1 ATOM 165 N NE2 . GLN A 0 21 . -18.776 -35.765 5.698 1.00 50.38 21 A 1 ATOM 166 O OE1 . GLN A 0 21 . -18.554 -33.873 4.634 1.00 50.38 21 A 1 ATOM 167 N N . PRO A 0 22 . -14.372 -35.097 2.239 1.00 58.81 22 A 1 ATOM 168 C CA . PRO A 0 22 . -13.398 -34.739 1.208 1.00 58.81 22 A 1 ATOM 169 C C . PRO A 0 22 . -12.856 -33.326 1.455 1.00 58.81 22 A 1 ATOM 170 C CB . PRO A 0 22 . -14.133 -34.840 -0.139 1.00 58.81 22 A 1 ATOM 171 O O . PRO A 0 22 . -13.622 -32.365 1.513 1.00 58.81 22 A 1 ATOM 172 C CG . PRO A 0 22 . -15.404 -35.625 0.177 1.00 58.81 22 A 1 ATOM 173 C CD . PRO A 0 22 . -15.679 -35.306 1.642 1.00 58.81 22 A 1 ATOM 174 N N . TYR A 0 23 . -11.538 -33.196 1.607 1.00 51.51 23 A 1 ATOM 175 C CA . TYR A 0 23 . -10.884 -31.904 1.815 1.00 51.51 23 A 1 ATOM 176 C C . TYR A 0 23 . -11.049 -30.997 0.577 1.00 51.51 23 A 1 ATOM 177 C CB . TYR A 0 23 . -9.396 -32.110 2.159 1.00 51.51 23 A 1 ATOM 178 O O . TYR A 0 23 . -10.833 -31.467 -0.545 1.00 51.51 23 A 1 ATOM 179 C CG . TYR A 0 23 . -9.011 -31.656 3.553 1.00 51.51 23 A 1 ATOM 180 C CD1 . TYR A 0 23 . -9.216 -32.511 4.654 1.00 51.51 23 A 1 ATOM 181 C CD2 . TYR A 0 23 . -8.444 -30.380 3.747 1.00 51.51 23 A 1 ATOM 182 C CE1 . TYR A 0 23 . -8.840 -32.096 5.947 1.00 51.51 23 A 1 ATOM 183 C CE2 . TYR A 0 23 . -8.071 -29.962 5.040 1.00 51.51 23 A 1 ATOM 184 O OH . TYR A 0 23 . -7.904 -30.433 7.392 1.00 51.51 23 A 1 ATOM 185 C CZ . TYR A 0 23 . -8.265 -30.824 6.142 1.00 51.51 23 A 1 ATOM 186 N N . PRO A 0 24 . -11.389 -29.703 0.744 1.00 58.41 24 A 1 ATOM 187 C CA . PRO A 0 24 . -11.305 -28.725 -0.336 1.00 58.41 24 A 1 ATOM 188 C C . PRO A 0 24 . -9.836 -28.532 -0.768 1.00 58.41 24 A 1 ATOM 189 C CB . PRO A 0 24 . -11.945 -27.446 0.213 1.00 58.41 24 A 1 ATOM 190 O O . PRO A 0 24 . -8.926 -28.750 0.038 1.00 58.41 24 A 1 ATOM 191 C CG . PRO A 0 24 . -11.702 -27.549 1.718 1.00 58.41 24 A 1 ATOM 192 C CD . PRO A 0 24 . -11.756 -29.050 1.992 1.00 58.41 24 A 1 ATOM 193 N N . PRO A 0 25 . -9.584 -28.150 -2.034 1.00 55.11 25 A 1 ATOM 194 C CA . PRO A 0 25 . -8.243 -28.092 -2.608 1.00 55.11 25 A 1 ATOM 195 C C . PRO A 0 25 . -7.323 -27.178 -1.791 1.00 55.11 25 A 1 ATOM 196 C CB . PRO A 0 25 . -8.427 -27.606 -4.053 1.00 55.11 25 A 1 ATOM 197 O O . PRO A 0 25 . -7.618 -26.000 -1.593 1.00 55.11 25 A 1 ATOM 198 C CG . PRO A 0 25 . -9.778 -26.891 -4.029 1.00 55.11 25 A 1 ATOM 199 C CD . PRO A 0 25 . -10.568 -27.684 -2.995 1.00 55.11 25 A 1 ATOM 200 N N . GLN A 0 26 . -6.197 -27.737 -1.339 1.00 47.32 26 A 1 ATOM 201 C CA . GLN A 0 26 . -5.102 -26.997 -0.723 1.00 47.32 26 A 1 ATOM 202 C C . GLN A 0 26 . -4.483 -26.080 -1.783 1.00 47.32 26 A 1 ATOM 203 C CB . GLN A 0 26 . -4.066 -27.977 -0.140 1.00 47.32 26 A 1 ATOM 204 O O . GLN A 0 26 . -3.763 -26.531 -2.674 1.00 47.32 26 A 1 ATOM 205 C CG . GLN A 0 26 . -4.586 -28.711 1.108 1.00 47.32 26 A 1 ATOM 206 C CD . GLN A 0 26 . -3.552 -29.657 1.720 1.00 47.32 26 A 1 ATOM 207 N NE2 . GLN A 0 26 . -3.665 -29.971 2.992 1.00 47.32 26 A 1 ATOM 208 O OE1 . GLN A 0 26 . -2.647 -30.159 1.077 1.00 47.32 26 A 1 ATOM 209 N N . TYR A 0 27 . -4.810 -24.789 -1.717 1.00 53.49 27 A 1 ATOM 210 C CA . TYR A 0 27 . -4.025 -23.766 -2.397 1.00 53.49 27 A 1 ATOM 211 C C . TYR A 0 27 . -2.643 -23.752 -1.733 1.00 53.49 27 A 1 ATOM 212 C CB . TYR A 0 27 . -4.737 -22.410 -2.301 1.00 53.49 27 A 1 ATOM 213 O O . TYR A 0 27 . -2.592 -23.822 -0.503 1.00 53.49 27 A 1 ATOM 214 C CG . TYR A 0 27 . -4.223 -21.366 -3.274 1.00 53.49 27 A 1 ATOM 215 C CD1 . TYR A 0 27 . -3.301 -20.388 -2.853 1.00 53.49 27 A 1 ATOM 216 C CD2 . TYR A 0 27 . -4.671 -21.380 -4.610 1.00 53.49 27 A 1 ATOM 217 C CE1 . TYR A 0 27 . -2.844 -19.411 -3.758 1.00 53.49 27 A 1 ATOM 218 C CE2 . TYR A 0 27 . -4.211 -20.408 -5.520 1.00 53.49 27 A 1 ATOM 219 O OH . TYR A 0 27 . -2.868 -18.474 -5.970 1.00 53.49 27 A 1 ATOM 220 C CZ . TYR A 0 27 . -3.302 -19.417 -5.093 1.00 53.49 27 A 1 ATOM 221 N N . PRO A 0 28 . -1.538 -23.731 -2.499 1.00 49.97 28 A 1 ATOM 222 C CA . PRO A 0 28 . -0.205 -23.731 -1.918 1.00 49.97 28 A 1 ATOM 223 C C . PRO A 0 28 . -0.107 -22.601 -0.901 1.00 49.97 28 A 1 ATOM 224 C CB . PRO A 0 28 . 0.771 -23.558 -3.089 1.00 49.97 28 A 1 ATOM 225 O O . PRO A 0 28 . -0.508 -21.474 -1.203 1.00 49.97 28 A 1 ATOM 226 C CG . PRO A 0 28 . -0.090 -22.930 -4.187 1.00 49.97 28 A 1 ATOM 227 C CD . PRO A 0 28 . -1.469 -23.527 -3.933 1.00 49.97 28 A 1 ATOM 228 N N . ASP A 0 29 . 0.404 -22.939 0.283 1.00 47.34 29 A 1 ATOM 229 C CA . ASP A 0 29 . 0.755 -22.015 1.350 1.00 47.34 29 A 1 ATOM 230 C C . ASP A 0 29 . 1.684 -20.938 0.782 1.00 47.34 29 A 1 ATOM 231 C CB . ASP A 0 29 . 1.439 -22.775 2.503 1.00 47.34 29 A 1 ATOM 232 O O . ASP A 0 29 . 2.913 -21.026 0.825 1.00 47.34 29 A 1 ATOM 233 C CG . ASP A 0 29 . 0.493 -23.697 3.273 1.00 47.34 29 A 1 ATOM 234 O OD1 . ASP A 0 29 . -0.502 -23.172 3.817 1.00 47.34 29 A 1 ATOM 235 O OD2 . ASP A 0 29 . 0.784 -24.914 3.310 1.00 47.34 29 A 1 ATOM 236 N N . THR A 0 30 . 1.107 -19.876 0.226 1.00 47.83 30 A 1 ATOM 237 C CA . THR A 0 30 . 1.767 -18.587 0.265 1.00 47.83 30 A 1 ATOM 238 C C . THR A 0 30 . 1.883 -18.290 1.738 1.00 47.83 30 A 1 ATOM 239 C CB . THR A 0 30 . 0.996 -17.479 -0.460 1.00 47.83 30 A 1 ATOM 240 O O . THR A 0 30 . 0.873 -18.031 2.387 1.00 47.83 30 A 1 ATOM 241 C CG2 . THR A 0 30 . 1.274 -17.531 -1.959 1.00 47.83 30 A 1 ATOM 242 O OG1 . THR A 0 30 . -0.394 -17.595 -0.267 1.00 47.83 30 A 1 ATOM 243 N N . VAL A 0 31 . 3.107 -18.420 2.242 1.00 45.71 31 A 1 ATOM 244 C CA . VAL A 0 31 . 3.556 -17.969 3.551 1.00 45.71 31 A 1 ATOM 245 C C . VAL A 0 31 . 3.048 -16.541 3.731 1.00 45.71 31 A 1 ATOM 246 C CB . VAL A 0 31 . 5.098 -18.057 3.621 1.00 45.71 31 A 1 ATOM 247 O O . VAL A 0 31 . 3.700 -15.573 3.345 1.00 45.71 31 A 1 ATOM 248 C CG1 . VAL A 0 31 . 5.652 -17.597 4.975 1.00 45.71 31 A 1 ATOM 249 C CG2 . VAL A 0 31 . 5.586 -19.496 3.385 1.00 45.71 31 A 1 ATOM 250 N N . ILE A 0 32 . 1.841 -16.409 4.277 1.00 46.90 32 A 1 ATOM 251 C CA . ILE A 0 32 . 1.407 -15.188 4.921 1.00 46.90 32 A 1 ATOM 252 C C . ILE A 0 32 . 2.198 -15.243 6.209 1.00 46.90 32 A 1 ATOM 253 C CB . ILE A 0 32 . -0.125 -15.120 5.122 1.00 46.90 32 A 1 ATOM 254 O O . ILE A 0 32 . 1.831 -15.938 7.153 1.00 46.90 32 A 1 ATOM 255 C CG1 . ILE A 0 32 . -0.851 -15.184 3.758 1.00 46.90 32 A 1 ATOM 256 C CG2 . ILE A 0 32 . -0.480 -13.818 5.867 1.00 46.90 32 A 1 ATOM 257 C CD1 . ILE A 0 32 . -2.382 -15.134 3.843 1.00 46.90 32 A 1 ATOM 258 N N . ALA A 0 33 . 3.362 -14.598 6.202 1.00 44.34 33 A 1 ATOM 259 C CA . ALA A 0 33 . 3.982 -14.211 7.446 1.00 44.34 33 A 1 ATOM 260 C C . ALA A 0 33 . 2.882 -13.498 8.239 1.00 44.34 33 A 1 ATOM 261 C CB . ALA A 0 33 . 5.186 -13.308 7.139 1.00 44.34 33 A 1 ATOM 262 O O . ALA A 0 33 . 2.422 -12.435 7.817 1.00 44.34 33 A 1 ATOM 263 N N . GLU A 0 34 . 2.409 -14.114 9.325 1.00 46.66 34 A 1 ATOM 264 C CA . GLU A 0 34 . 1.687 -13.410 10.376 1.00 46.66 34 A 1 ATOM 265 C C . GLU A 0 34 . 2.631 -12.304 10.839 1.00 46.66 34 A 1 ATOM 266 C CB . GLU A 0 34 . 1.310 -14.353 11.539 1.00 46.66 34 A 1 ATOM 267 O O . GLU A 0 34 . 3.490 -12.501 11.699 1.00 46.66 34 A 1 ATOM 268 C CG . GLU A 0 34 . -0.102 -14.935 11.405 1.00 46.66 34 A 1 ATOM 269 C CD . GLU A 0 34 . -0.421 -15.910 12.550 1.00 46.66 34 A 1 ATOM 270 O OE1 . GLU A 0 34 . -1.401 -15.656 13.287 1.00 46.66 34 A 1 ATOM 271 O OE2 . GLU A 0 34 . 0.325 -16.907 12.679 1.00 46.66 34 A 1 ATOM 272 N N . GLN A 0 35 . 2.550 -11.140 10.193 1.00 46.68 35 A 1 ATOM 273 C CA . GLN A 0 35 . 3.137 -9.940 10.742 1.00 46.68 35 A 1 ATOM 274 C C . GLN A 0 35 . 2.388 -9.693 12.051 1.00 46.68 35 A 1 ATOM 275 C CB . GLN A 0 35 . 3.042 -8.752 9.779 1.00 46.68 35 A 1 ATOM 276 O O . GLN A 0 35 . 1.160 -9.561 12.025 1.00 46.68 35 A 1 ATOM 277 C CG . GLN A 0 35 . 4.271 -8.698 8.860 1.00 46.68 35 A 1 ATOM 278 C CD . GLN A 0 35 . 4.271 -7.444 7.994 1.00 46.68 35 A 1 ATOM 279 N NE2 . GLN A 0 35 . 5.357 -6.703 7.933 1.00 46.68 35 A 1 ATOM 280 O OE1 . GLN A 0 35 . 3.300 -7.096 7.353 1.00 46.68 35 A 1 ATOM 281 N N . PRO A 0 36 . 3.091 -9.664 13.197 1.00 46.90 36 A 1 ATOM 282 C CA . PRO A 0 36 . 2.473 -9.374 14.476 1.00 46.90 36 A 1 ATOM 283 C C . PRO A 0 36 . 1.750 -8.038 14.356 1.00 46.90 36 A 1 ATOM 284 C CB . PRO A 0 36 . 3.615 -9.331 15.501 1.00 46.90 36 A 1 ATOM 285 O O . PRO A 0 36 . 2.379 -7.028 14.042 1.00 46.90 36 A 1 ATOM 286 C CG . PRO A 0 36 . 4.745 -10.105 14.829 1.00 46.90 36 A 1 ATOM 287 C CD . PRO A 0 36 . 4.523 -9.846 13.348 1.00 46.90 36 A 1 ATOM 288 N N . CYS A 0 37 . 0.433 -8.044 14.555 1.00 51.93 37 A 1 ATOM 289 C CA . CYS A 0 37 . -0.386 -6.841 14.530 1.00 51.93 37 A 1 ATOM 290 C C . CYS A 0 37 . 0.186 -5.842 15.548 1.00 51.93 37 A 1 ATOM 291 C CB . CYS A 0 37 . -1.828 -7.250 14.872 1.00 51.93 37 A 1 ATOM 292 O O . CYS A 0 37 . 0.145 -6.129 16.750 1.00 51.93 37 A 1 ATOM 293 S SG . CYS A 0 37 . -2.961 -5.837 14.740 1.00 51.93 37 A 1 ATOM 294 N N . PRO A 0 38 . 0.715 -4.675 15.135 1.00 53.19 38 A 1 ATOM 295 C CA . PRO A 0 38 . 1.002 -3.631 16.094 1.00 53.19 38 A 1 ATOM 296 C C . PRO A 0 38 . -0.354 -3.082 16.548 1.00 53.19 38 A 1 ATOM 297 C CB . PRO A 0 38 . 1.903 -2.642 15.352 1.00 53.19 38 A 1 ATOM 298 O O . PRO A 0 38 . -1.052 -2.403 15.798 1.00 53.19 38 A 1 ATOM 299 C CG . PRO A 0 38 . 1.453 -2.764 13.896 1.00 53.19 38 A 1 ATOM 300 C CD . PRO A 0 38 . 0.972 -4.213 13.775 1.00 53.19 38 A 1 ATOM 301 N N . VAL A 0 39 . -0.763 -3.420 17.772 1.00 51.03 39 A 1 ATOM 302 C CA . VAL A 0 39 . -1.868 -2.749 18.466 1.00 51.03 39 A 1 ATOM 303 C C . VAL A 0 39 . -1.392 -1.326 18.755 1.00 51.03 39 A 1 ATOM 304 C CB . VAL A 0 39 . -2.282 -3.512 19.746 1.00 51.03 39 A 1 ATOM 305 O O . VAL A 0 39 . -0.819 -1.045 19.805 1.00 51.03 39 A 1 ATOM 306 C CG1 . VAL A 0 39 . -3.443 -2.820 20.475 1.00 51.03 39 A 1 ATOM 307 C CG2 . VAL A 0 39 . -2.732 -4.943 19.415 1.00 51.03 39 A 1 ATOM 308 N N . ILE A 0 40 . -1.539 -0.430 17.777 1.00 51.48 40 A 1 ATOM 309 C CA . ILE A 0 40 . -1.237 0.990 17.949 1.00 51.48 40 A 1 ATOM 310 C C . ILE A 0 40 . -2.467 1.625 18.598 1.00 51.48 40 A 1 ATOM 311 C CB . ILE A 0 40 . -0.772 1.672 16.637 1.00 51.48 40 A 1 ATOM 312 O O . ILE A 0 40 . -3.390 2.091 17.935 1.00 51.48 40 A 1 ATOM 313 C CG1 . ILE A 0 40 . 0.438 0.918 16.037 1.00 51.48 40 A 1 ATOM 314 C CG2 . ILE A 0 40 . -0.397 3.141 16.922 1.00 51.48 40 A 1 ATOM 315 C CD1 . ILE A 0 40 . 0.992 1.499 14.730 1.00 51.48 40 A 1 ATOM 316 N N . THR A 0 41 . -2.475 1.622 19.929 1.00 50.06 41 A 1 ATOM 317 C CA . THR A 0 41 . -3.279 2.507 20.785 1.00 50.06 41 A 1 ATOM 318 C C . THR A 0 41 . -2.787 3.955 20.676 1.00 50.06 41 A 1 ATOM 319 C CB . THR A 0 41 . -3.267 2.028 22.256 1.00 50.06 41 A 1 ATOM 320 O O . THR A 0 41 . -2.381 4.556 21.665 1.00 50.06 41 A 1 ATOM 321 C CG2 . THR A 0 41 . -4.409 1.068 22.556 1.00 50.06 41 A 1 ATOM 322 O OG1 . THR A 0 41 . -2.062 1.361 22.565 1.00 50.06 41 A 1 ATOM 323 N N . ASP A 0 42 . -2.796 4.517 19.468 1.00 47.64 42 A 1 ATOM 324 C CA . ASP A 0 42 . -2.687 5.959 19.258 1.00 47.64 42 A 1 ATOM 325 C C . ASP A 0 42 . -3.436 6.354 17.979 1.00 47.64 42 A 1 ATOM 326 C CB . ASP A 0 42 . -1.226 6.441 19.262 1.00 47.64 42 A 1 ATOM 327 O O . ASP A 0 42 . -3.291 5.755 16.913 1.00 47.64 42 A 1 ATOM 328 C CG . ASP A 0 42 . -1.116 7.944 19.562 1.00 47.64 42 A 1 ATOM 329 O OD1 . ASP A 0 42 . -2.175 8.617 19.608 1.00 47.64 42 A 1 ATOM 330 O OD2 . ASP A 0 42 . 0.031 8.410 19.730 1.00 47.64 42 A 1 ATOM 331 N N . SER A 0 43 . -4.309 7.340 18.124 1.00 52.94 43 A 1 ATOM 332 C CA . SER A 0 43 . -5.380 7.775 17.226 1.00 52.94 43 A 1 ATOM 333 C C . SER A 0 43 . -4.897 8.516 15.973 1.00 52.94 43 A 1 ATOM 334 C CB . SER A 0 43 . -6.366 8.612 18.052 1.00 52.94 43 A 1 ATOM 335 O O . SER A 0 43 . -5.465 9.535 15.583 1.00 52.94 43 A 1 ATOM 336 O OG . SER A 0 43 . -5.688 9.495 18.929 1.00 52.94 43 A 1 ATOM 337 N N . HIS A 0 44 . -3.867 8.001 15.309 1.00 57.43 44 A 1 ATOM 338 C CA . HIS A 0 44 . -3.350 8.555 14.065 1.00 57.43 44 A 1 ATOM 339 C C . HIS A 0 44 . -3.355 7.475 12.984 1.00 57.43 44 A 1 ATOM 340 C CB . HIS A 0 44 . -1.987 9.210 14.330 1.00 57.43 44 A 1 ATOM 341 O O . HIS A 0 44 . -2.356 6.805 12.739 1.00 57.43 44 A 1 ATOM 342 C CG . HIS A 0 44 . -2.123 10.499 15.108 1.00 57.43 44 A 1 ATOM 343 C CD2 . HIS A 0 44 . -2.063 10.662 16.469 1.00 57.43 44 A 1 ATOM 344 N ND1 . HIS A 0 44 . -2.398 11.734 14.564 1.00 57.43 44 A 1 ATOM 345 C CE1 . HIS A 0 44 . -2.501 12.619 15.568 1.00 57.43 44 A 1 ATOM 346 N NE2 . HIS A 0 44 . -2.306 12.016 16.746 1.00 57.43 44 A 1 ATOM 347 N N . PHE A 0 45 . -4.506 7.305 12.322 1.00 64.05 45 A 1 ATOM 348 C CA . PHE A 0 45 . -4.579 6.579 11.054 1.00 64.05 45 A 1 ATOM 349 C C . PHE A 0 45 . -3.623 7.262 10.070 1.00 64.05 45 A 1 ATOM 350 C CB . PHE A 0 45 . -6.031 6.558 10.541 1.00 64.05 45 A 1 ATOM 351 O O . PHE A 0 45 . -3.916 8.343 9.560 1.00 64.05 45 A 1 ATOM 352 C CG . PHE A 0 45 . -6.221 5.918 9.175 1.00 64.05 45 A 1 ATOM 353 C CD1 . PHE A 0 45 . -6.505 6.716 8.050 1.00 64.05 45 A 1 ATOM 354 C CD2 . PHE A 0 45 . -6.129 4.520 9.027 1.00 64.05 45 A 1 ATOM 355 C CE1 . PHE A 0 45 . -6.709 6.119 6.795 1.00 64.05 45 A 1 ATOM 356 C CE2 . PHE A 0 45 . -6.301 3.926 7.764 1.00 64.05 45 A 1 ATOM 357 C CZ . PHE A 0 45 . -6.587 4.728 6.647 1.00 64.05 45 A 1 ATOM 358 N N . ALA A 0 46 . -2.454 6.659 9.867 1.00 63.66 46 A 1 ATOM 359 C CA . ALA A 0 46 . -1.486 7.050 8.859 1.00 63.66 46 A 1 ATOM 360 C C . ALA A 0 46 . -1.762 6.185 7.623 1.00 63.66 46 A 1 ATOM 361 C CB . ALA A 0 46 . -0.072 6.879 9.430 1.00 63.66 46 A 1 ATOM 362 O O . ALA A 0 46 . -1.325 5.032 7.586 1.00 63.66 46 A 1 ATOM 363 N N . PRO A 0 47 . -2.551 6.678 6.650 1.00 61.96 47 A 1 ATOM 364 C CA . PRO A 0 47 . -2.823 5.922 5.440 1.00 61.96 47 A 1 ATOM 365 C C . PRO A 0 47 . -1.480 5.707 4.732 1.00 61.96 47 A 1 ATOM 366 C CB . PRO A 0 47 . -3.876 6.758 4.708 1.00 61.96 47 A 1 ATOM 367 O O . PRO A 0 47 . -0.664 6.621 4.639 1.00 61.96 47 A 1 ATOM 368 C CG . PRO A 0 47 . -3.555 8.192 5.103 1.00 61.96 47 A 1 ATOM 369 C CD . PRO A 0 47 . -3.118 8.018 6.552 1.00 61.96 47 A 1 ATOM 370 N N . GLY A 0 48 . -1.211 4.467 4.351 1.00 66.28 48 A 1 ATOM 371 C CA . GLY A 0 48 . 0.066 4.027 3.806 1.00 66.28 48 A 1 ATOM 372 C C . GLY A 0 48 . -0.156 3.198 2.546 1.00 66.28 48 A 1 ATOM 373 O O . GLY A 0 48 . -1.267 3.126 2.027 1.00 66.28 48 A 1 ATOM 374 N N . PRO A 0 49 . 0.888 2.561 2.005 1.00 66.13 49 A 1 ATOM 375 C CA . PRO A 0 49 . 0.711 1.566 0.955 1.00 66.13 49 A 1 ATOM 376 C C . PRO A 0 49 . -0.103 0.365 1.414 1.00 66.13 49 A 1 ATOM 377 C CB . PRO A 0 49 . 2.136 1.109 0.595 1.00 66.13 49 A 1 ATOM 378 O O . PRO A 0 49 . -0.894 -0.211 0.667 1.00 66.13 49 A 1 ATOM 379 C CG . PRO A 0 49 . 3.065 2.162 1.198 1.00 66.13 49 A 1 ATOM 380 C CD . PRO A 0 49 . 2.280 2.697 2.387 1.00 66.13 49 A 1 ATOM 381 N N . ASP A 0 50 . 0.132 -0.031 2.646 1.00 72.23 50 A 1 ATOM 382 C CA . ASP A 0 50 . -0.267 -1.340 3.100 1.00 72.23 50 A 1 ATOM 383 C C . ASP A 0 50 . -1.602 -1.260 3.836 1.00 72.23 50 A 1 ATOM 384 C CB . ASP A 0 50 . 0.893 -1.941 3.897 1.00 72.23 50 A 1 ATOM 385 O O . ASP A 0 50 . -1.948 -0.218 4.406 1.00 72.23 50 A 1 ATOM 386 C CG . ASP A 0 50 . 2.139 -2.001 3.005 1.00 72.23 50 A 1 ATOM 387 O OD1 . ASP A 0 50 . 2.034 -2.569 1.894 1.00 72.23 50 A 1 ATOM 388 O OD2 . ASP A 0 50 . 3.152 -1.374 3.385 1.00 72.23 50 A 1 ATOM 389 N N . PRO A 0 51 . -2.393 -2.342 3.814 1.00 76.74 51 A 1 ATOM 390 C CA . PRO A 0 51 . -3.593 -2.428 4.625 1.00 76.74 51 A 1 ATOM 391 C C . PRO A 0 51 . -3.231 -2.253 6.104 1.00 76.74 51 A 1 ATOM 392 C CB . PRO A 0 51 . -4.173 -3.808 4.309 1.00 76.74 51 A 1 ATOM 393 O O . PRO A 0 51 . -2.459 -3.018 6.670 1.00 76.74 51 A 1 ATOM 394 C CG . PRO A 0 51 . -2.963 -4.639 3.901 1.00 76.74 51 A 1 ATOM 395 C CD . PRO A 0 51 . -2.114 -3.615 3.161 1.00 76.74 51 A 1 ATOM 396 N N . VAL A 0 52 . -3.797 -1.227 6.736 1.00 76.44 52 A 1 ATOM 397 C CA . VAL A 0 52 . -3.593 -0.941 8.162 1.00 76.44 52 A 1 ATOM 398 C C . VAL A 0 52 . -4.728 -1.555 8.980 1.00 76.44 52 A 1 ATOM 399 C CB . VAL A 0 52 . -3.446 0.575 8.408 1.00 76.44 52 A 1 ATOM 400 O O . VAL A 0 52 . -5.897 -1.427 8.596 1.00 76.44 52 A 1 ATOM 401 C CG1 . VAL A 0 52 . -3.168 0.894 9.881 1.00 76.44 52 A 1 ATOM 402 C CG2 . VAL A 0 52 . -2.294 1.164 7.585 1.00 76.44 52 A 1 ATOM 403 N N . ASN A 0 53 . -4.391 -2.185 10.108 1.00 80.51 53 A 1 ATOM 404 C CA . ASN A 0 53 . -5.357 -2.597 11.127 1.00 80.51 53 A 1 ATOM 405 C C . ASN A 0 53 . -5.711 -1.384 11.985 1.00 80.51 53 A 1 ATOM 406 C CB . ASN A 0 53 . -4.810 -3.757 11.975 1.00 80.51 53 A 1 ATOM 407 O O . ASN A 0 53 . -4.842 -0.763 12.597 1.00 80.51 53 A 1 ATOM 408 C CG . ASN A 0 53 . -4.751 -5.073 11.221 1.00 80.51 53 A 1 ATOM 409 N ND2 . ASN A 0 53 . -4.588 -6.170 11.915 1.00 80.51 53 A 1 ATOM 410 O OD1 . ASN A 0 53 . -4.877 -5.147 10.010 1.00 80.51 53 A 1 ATOM 411 N N . THR A 0 54 . -6.980 -0.999 11.978 1.00 74.74 54 A 1 ATOM 412 C CA . THR A 0 54 . -7.454 0.180 12.696 1.00 74.74 54 A 1 ATOM 413 C C . THR A 0 54 . -8.899 -0.007 13.131 1.00 74.74 54 A 1 ATOM 414 C CB . THR A 0 54 . -7.271 1.446 11.839 1.00 74.74 54 A 1 ATOM 415 O O . THR A 0 54 . -9.672 -0.751 12.526 1.00 74.74 54 A 1 ATOM 416 C CG2 . THR A 0 54 . -8.230 1.538 10.650 1.00 74.74 54 A 1 ATOM 417 O OG1 . THR A 0 54 . -7.452 2.598 12.630 1.00 74.74 54 A 1 ATOM 418 N N . MET A 0 55 . -9.301 0.711 14.173 1.00 82.57 55 A 1 ATOM 419 C CA . MET A 0 55 . -10.697 0.759 14.576 1.00 82.57 55 A 1 ATOM 420 C C . MET A 0 55 . -11.463 1.698 13.639 1.00 82.57 55 A 1 ATOM 421 C CB . MET A 0 55 . -10.778 1.180 16.043 1.00 82.57 55 A 1 ATOM 422 O O . MET A 0 55 . -11.208 2.900 13.585 1.00 82.57 55 A 1 ATOM 423 C CG . MET A 0 55 . -12.220 1.176 16.549 1.00 82.57 55 A 1 ATOM 424 S SD . MET A 0 55 . -12.329 1.703 18.275 1.00 82.57 55 A 1 ATOM 425 C CE . MET A 0 55 . -13.874 2.627 18.219 1.00 82.57 55 A 1 ATOM 426 N N . CYS A 0 56 . -12.442 1.166 12.908 1.00 83.08 56 A 1 ATOM 427 C CA . CYS A 0 56 . -13.250 1.982 12.006 1.00 83.08 56 A 1 ATOM 428 C C . CYS A 0 56 . -14.071 3.028 12.790 1.00 83.08 56 A 1 ATOM 429 C CB . CYS A 0 56 . -14.148 1.051 11.191 1.00 83.08 56 A 1 ATOM 430 O O . CYS A 0 56 . -14.871 2.639 13.644 1.00 83.08 56 A 1 ATOM 431 S SG . CYS A 0 56 . -15.337 1.960 10.159 1.00 83.08 56 A 1 ATOM 432 N N . PRO A 0 57 . -13.990 4.331 12.459 1.00 82.03 57 A 1 ATOM 433 C CA . PRO A 0 57 . -14.746 5.384 13.144 1.00 82.03 57 A 1 ATOM 434 C C . PRO A 0 57 . -16.254 5.329 12.859 1.00 82.03 57 A 1 ATOM 435 C CB . PRO A 0 57 . -14.130 6.696 12.645 1.00 82.03 57 A 1 ATOM 436 O O . PRO A 0 57 . -17.029 5.986 13.541 1.00 82.03 57 A 1 ATOM 437 C CG . PRO A 0 57 . -13.639 6.350 11.241 1.00 82.03 57 A 1 ATOM 438 C CD . PRO A 0 57 . -13.178 4.905 11.399 1.00 82.03 57 A 1 ATOM 439 N N . TYR A 0 58 . -16.679 4.559 11.852 1.00 84.97 58 A 1 ATOM 440 C CA . TYR A 0 58 . -18.082 4.450 11.448 1.00 84.97 58 A 1 ATOM 441 C C . TYR A 0 58 . -18.792 3.229 12.027 1.00 84.97 58 A 1 ATOM 442 C CB . TYR A 0 58 . -18.161 4.406 9.922 1.00 84.97 58 A 1 ATOM 443 O O . TYR A 0 58 . -19.985 3.292 12.302 1.00 84.97 58 A 1 ATOM 444 C CG . TYR A 0 58 . -17.543 5.609 9.247 1.00 84.97 58 A 1 ATOM 445 C CD1 . TYR A 0 58 . -18.229 6.838 9.277 1.00 84.97 58 A 1 ATOM 446 C CD2 . TYR A 0 58 . -16.330 5.490 8.539 1.00 84.97 58 A 1 ATOM 447 C CE1 . TYR A 0 58 . -17.704 7.955 8.602 1.00 84.97 58 A 1 ATOM 448 C CE2 . TYR A 0 58 . -15.814 6.601 7.844 1.00 84.97 58 A 1 ATOM 449 O OH . TYR A 0 58 . -16.007 8.896 7.193 1.00 84.97 58 A 1 ATOM 450 C CZ . TYR A 0 58 . -16.496 7.835 7.880 1.00 84.97 58 A 1 ATOM 451 N N . CYS A 0 59 . -18.093 2.098 12.159 1.00 85.72 59 A 1 ATOM 452 C CA . CYS A 0 59 . -18.683 0.861 12.675 1.00 85.72 59 A 1 ATOM 453 C C . CYS A 0 59 . -18.074 0.390 13.995 1.00 85.72 59 A 1 ATOM 454 C CB . CYS A 0 59 . -18.679 -0.220 11.584 1.00 85.72 59 A 1 ATOM 455 O O . CYS A 0 59 . -18.503 -0.649 14.493 1.00 85.72 59 A 1 ATOM 456 S SG . CYS A 0 59 . -17.018 -0.864 11.244 1.00 85.72 59 A 1 ATOM 457 N N . HIS A 0 60 . -17.079 1.113 14.522 1.00 82.38 60 A 1 ATOM 458 C CA . HIS A 0 60 . -16.393 0.842 15.788 1.00 82.38 60 A 1 ATOM 459 C C . HIS A 0 60 . -15.892 -0.601 15.930 1.00 82.38 60 A 1 ATOM 460 C CB . HIS A 0 60 . -17.264 1.324 16.953 1.00 82.38 60 A 1 ATOM 461 O O . HIS A 0 60 . -15.823 -1.143 17.028 1.00 82.38 60 A 1 ATOM 462 C CG . HIS A 0 60 . -17.567 2.797 16.871 1.00 82.38 60 A 1 ATOM 463 C CD2 . HIS A 0 60 . -18.790 3.365 16.644 1.00 82.38 60 A 1 ATOM 464 N ND1 . HIS A 0 60 . -16.661 3.827 16.990 1.00 82.38 60 A 1 ATOM 465 C CE1 . HIS A 0 60 . -17.323 4.985 16.843 1.00 82.38 60 A 1 ATOM 466 N NE2 . HIS A 0 60 . -18.627 4.751 16.634 1.00 82.38 60 A 1 ATOM 467 N N . LYS A 0 61 . -15.559 -1.231 14.801 1.00 81.17 61 A 1 ATOM 468 C CA . LYS A 0 61 . -14.985 -2.574 14.745 1.00 81.17 61 A 1 ATOM 469 C C . LYS A 0 61 . -13.516 -2.466 14.400 1.00 81.17 61 A 1 ATOM 470 C CB . LYS A 0 61 . -15.756 -3.477 13.769 1.00 81.17 61 A 1 ATOM 471 O O . LYS A 0 61 . -13.144 -1.609 13.595 1.00 81.17 61 A 1 ATOM 472 C CG . LYS A 0 61 . -17.019 -4.007 14.459 1.00 81.17 61 A 1 ATOM 473 C CD . LYS A 0 61 . -17.949 -4.803 13.539 1.00 81.17 61 A 1 ATOM 474 C CE . LYS A 0 61 . -18.861 -3.846 12.766 1.00 81.17 61 A 1 ATOM 475 N NZ . LYS A 0 61 . -20.153 -4.490 12.430 1.00 81.17 61 A 1 ATOM 476 N N . ASP A 0 62 . -12.733 -3.342 15.010 1.00 85.43 62 A 1 ATOM 477 C CA . ASP A 0 62 . -11.365 -3.595 14.594 1.00 85.43 62 A 1 ATOM 478 C C . ASP A 0 62 . -11.410 -4.220 13.199 1.00 85.43 62 A 1 ATOM 479 C CB . ASP A 0 62 . -10.676 -4.499 15.623 1.00 85.43 62 A 1 ATOM 480 O O . ASP A 0 62 . -12.057 -5.253 12.987 1.00 85.43 62 A 1 ATOM 481 C CG . ASP A 0 62 . -9.153 -4.415 15.508 1.00 85.43 62 A 1 ATOM 482 O OD1 . ASP A 0 62 . -8.665 -4.147 14.387 1.00 85.43 62 A 1 ATOM 483 O OD2 . ASP A 0 62 . -8.508 -4.563 16.566 1.00 85.43 62 A 1 ATOM 484 N N . ILE A 0 63 . -10.861 -3.503 12.224 1.00 82.76 63 A 1 ATOM 485 C CA . ILE A 0 63 . -10.873 -3.910 10.827 1.00 82.76 63 A 1 ATOM 486 C C . ILE A 0 63 . -9.498 -3.710 10.216 1.00 82.76 63 A 1 ATOM 487 C CB . ILE A 0 63 . -11.989 -3.216 10.006 1.00 82.76 63 A 1 ATOM 488 O O . ILE A 0 63 . -8.792 -2.738 10.479 1.00 82.76 63 A 1 ATOM 489 C CG1 . ILE A 0 63 . -11.933 -1.677 9.968 1.00 82.76 63 A 1 ATOM 490 C CG2 . ILE A 0 63 . -13.380 -3.619 10.529 1.00 82.76 63 A 1 ATOM 491 C CD1 . ILE A 0 63 . -11.078 -1.070 8.858 1.00 82.76 63 A 1 ATOM 492 N N . THR A 0 64 . -9.161 -4.607 9.303 1.00 83.22 64 A 1 ATOM 493 C CA . THR A 0 64 . -8.062 -4.413 8.365 1.00 83.22 64 A 1 ATOM 494 C C . THR A 0 64 . -8.587 -3.637 7.165 1.00 83.22 64 A 1 ATOM 495 C CB . THR A 0 64 . -7.485 -5.768 7.956 1.00 83.22 64 A 1 ATOM 496 O O . THR A 0 64 . -9.537 -4.067 6.506 1.00 83.22 64 A 1 ATOM 497 C CG2 . THR A 0 64 . -6.271 -5.630 7.047 1.00 83.22 64 A 1 ATOM 498 O OG1 . THR A 0 64 . -7.090 -6.468 9.109 1.00 83.22 64 A 1 ATOM 499 N N . THR A 0 65 . -8.016 -2.463 6.892 1.00 82.45 65 A 1 ATOM 500 C CA . THR A 0 65 . -8.430 -1.656 5.735 1.00 82.45 65 A 1 ATOM 501 C C . THR A 0 65 . -8.123 -2.377 4.422 1.00 82.45 65 A 1 ATOM 502 C CB . THR A 0 65 . -7.811 -0.249 5.732 1.00 82.45 65 A 1 ATOM 503 O O . THR A 0 65 . -7.069 -2.978 4.266 1.00 82.45 65 A 1 ATOM 504 C CG2 . THR A 0 65 . -8.173 0.550 6.978 1.00 82.45 65 A 1 ATOM 505 O OG1 . THR A 0 65 . -6.407 -0.281 5.704 1.00 82.45 65 A 1 ATOM 506 N N . VAL A 0 66 . -9.037 -2.313 3.456 1.00 82.27 66 A 1 ATOM 507 C CA . VAL A 0 66 . -8.823 -2.819 2.096 1.00 82.27 66 A 1 ATOM 508 C C . VAL A 0 66 . -8.257 -1.684 1.256 1.00 82.27 66 A 1 ATOM 509 C CB . VAL A 0 66 . -10.129 -3.366 1.488 1.00 82.27 66 A 1 ATOM 510 O O . VAL A 0 66 . -8.942 -0.680 1.056 1.00 82.27 66 A 1 ATOM 511 C CG1 . VAL A 0 66 . -9.913 -3.876 0.057 1.00 82.27 66 A 1 ATOM 512 C CG2 . VAL A 0 66 . -10.684 -4.522 2.327 1.00 82.27 66 A 1 ATOM 513 N N . VAL A 0 67 . -7.026 -1.836 0.768 1.00 80.31 67 A 1 ATOM 514 C CA . VAL A 0 67 . -6.370 -0.835 -0.083 1.00 80.31 67 A 1 ATOM 515 C C . VAL A 0 67 . -6.686 -1.116 -1.544 1.00 80.31 67 A 1 ATOM 516 C CB . VAL A 0 67 . -4.850 -0.766 0.148 1.00 80.31 67 A 1 ATOM 517 O O . VAL A 0 67 . -6.342 -2.170 -2.074 1.00 80.31 67 A 1 ATOM 518 C CG1 . VAL A 0 67 . -4.248 0.394 -0.653 1.00 80.31 67 A 1 ATOM 519 C CG2 . VAL A 0 67 . -4.555 -0.524 1.627 1.00 80.31 67 A 1 ATOM 520 N N . THR A 0 68 . -7.343 -0.167 -2.208 1.00 74.59 68 A 1 ATOM 521 C CA . THR A 0 68 . -7.577 -0.226 -3.654 1.00 74.59 68 A 1 ATOM 522 C C . THR A 0 68 . -6.639 0.737 -4.362 1.00 74.59 68 A 1 ATOM 523 C CB . THR A 0 68 . -9.038 0.058 -4.011 1.00 74.59 68 A 1 ATOM 524 O O . THR A 0 68 . -6.703 1.948 -4.165 1.00 74.59 68 A 1 ATOM 525 C CG2 . THR A 0 68 . -9.323 -0.186 -5.495 1.00 74.59 68 A 1 ATOM 526 O OG1 . THR A 0 68 . -9.873 -0.809 -3.280 1.00 74.59 68 A 1 ATOM 527 N N . TYR A 0 69 . -5.789 0.189 -5.223 1.00 71.84 69 A 1 ATOM 528 C CA . TYR A 0 69 . -4.895 0.960 -6.073 1.00 71.84 69 A 1 ATOM 529 C C . TYR A 0 69 . -5.562 1.255 -7.408 1.00 71.84 69 A 1 ATOM 530 C CB . TYR A 0 69 . -3.605 0.172 -6.274 1.00 71.84 69 A 1 ATOM 531 O O . TYR A 0 69 . -5.882 0.339 -8.168 1.00 71.84 69 A 1 ATOM 532 C CG . TYR A 0 69 . -2.776 0.118 -5.019 1.00 71.84 69 A 1 ATOM 533 C CD1 . TYR A 0 69 . -1.980 1.231 -4.716 1.00 71.84 69 A 1 ATOM 534 C CD2 . TYR A 0 69 . -2.800 -1.005 -4.164 1.00 71.84 69 A 1 ATOM 535 C CE1 . TYR A 0 69 . -1.136 1.190 -3.608 1.00 71.84 69 A 1 ATOM 536 C CE2 . TYR A 0 69 . -1.974 -1.030 -3.022 1.00 71.84 69 A 1 ATOM 537 O OH . TYR A 0 69 . -0.199 0.054 -1.778 1.00 71.84 69 A 1 ATOM 538 C CZ . TYR A 0 69 . -1.111 0.060 -2.773 1.00 71.84 69 A 1 ATOM 539 N N . LYS A 0 70 . -5.746 2.535 -7.725 1.00 67.44 70 A 1 ATOM 540 C CA . LYS A 0 70 . -6.220 2.950 -9.047 1.00 67.44 70 A 1 ATOM 541 C C . LYS A 0 70 . -5.036 3.357 -9.907 1.00 67.44 70 A 1 ATOM 542 C CB . LYS A 0 70 . -7.273 4.050 -8.916 1.00 67.44 70 A 1 ATOM 543 O O . LYS A 0 70 . -4.272 4.253 -9.562 1.00 67.44 70 A 1 ATOM 544 C CG . LYS A 0 70 . -8.588 3.457 -8.390 1.00 67.44 70 A 1 ATOM 545 C CD . LYS A 0 70 . -9.597 4.574 -8.139 1.00 67.44 70 A 1 ATOM 546 C CE . LYS A 0 70 . -10.898 3.991 -7.588 1.00 67.44 70 A 1 ATOM 547 N NZ . LYS A 0 70 . -11.497 4.940 -6.627 1.00 67.44 70 A 1 ATOM 548 N N . ILE A 0 71 . -4.888 2.692 -11.049 1.00 68.30 71 A 1 ATOM 549 C CA . ILE A 0 71 . -3.910 3.093 -12.058 1.00 68.30 71 A 1 ATOM 550 C C . ILE A 0 71 . -4.402 4.406 -12.669 1.00 68.30 71 A 1 ATOM 551 C CB . ILE A 0 71 . -3.698 1.979 -13.105 1.00 68.30 71 A 1 ATOM 552 O O . ILE A 0 71 . -5.454 4.443 -13.307 1.00 68.30 71 A 1 ATOM 553 C CG1 . ILE A 0 71 . -3.201 0.679 -12.428 1.00 68.30 71 A 1 ATOM 554 C CG2 . ILE A 0 71 . -2.686 2.456 -14.159 1.00 68.30 71 A 1 ATOM 555 C CD1 . ILE A 0 71 . -3.130 -0.526 -13.374 1.00 68.30 71 A 1 ATOM 556 N N . GLY A 0 72 . -3.659 5.488 -12.441 1.00 69.05 72 A 1 ATOM 557 C CA . GLY A 0 72 . -3.995 6.800 -12.977 1.00 69.05 72 A 1 ATOM 558 C C . GLY A 0 72 . -3.843 6.865 -14.498 1.00 69.05 72 A 1 ATOM 559 O O . GLY A 0 72 . -3.076 6.114 -15.106 1.00 69.05 72 A 1 ATOM 560 N N . ILE A 0 73 . -4.525 7.837 -15.110 1.00 71.19 73 A 1 ATOM 561 C CA . ILE A 0 73 . -4.367 8.187 -16.533 1.00 71.19 73 A 1 ATOM 562 C C . ILE A 0 73 . -2.890 8.449 -16.861 1.00 71.19 73 A 1 ATOM 563 C CB . ILE A 0 73 . -5.245 9.419 -16.872 1.00 71.19 73 A 1 ATOM 564 O O . ILE A 0 73 . -2.436 8.122 -17.950 1.00 71.19 73 A 1 ATOM 565 C CG1 . ILE A 0 73 . -6.743 9.068 -16.706 1.00 71.19 73 A 1 ATOM 566 C CG2 . ILE A 0 73 . -4.971 9.943 -18.295 1.00 71.19 73 A 1 ATOM 567 C CD1 . ILE A 0 73 . -7.681 10.280 -16.780 1.00 71.19 73 A 1 ATOM 568 N N . LEU A 0 74 . -2.113 8.966 -15.906 1.00 68.20 74 A 1 ATOM 569 C CA . LEU A 0 74 . -0.686 9.221 -16.079 1.00 68.20 74 A 1 ATOM 570 C C . LEU A 0 74 . 0.113 7.956 -16.425 1.00 68.20 74 A 1 ATOM 571 C CB . LEU A 0 74 . -0.153 9.882 -14.798 1.00 68.20 74 A 1 ATOM 572 O O . LEU A 0 74 . 0.970 8.010 -17.300 1.00 68.20 74 A 1 ATOM 573 C CG . LEU A 0 74 . 1.312 10.348 -14.908 1.00 68.20 74 A 1 ATOM 574 C CD1 . LEU A 0 74 . 1.485 11.437 -15.970 1.00 68.20 74 A 1 ATOM 575 C CD2 . LEU A 0 74 . 1.764 10.900 -13.559 1.00 68.20 74 A 1 ATOM 576 N N . THR A 0 75 . -0.191 6.809 -15.808 1.00 73.02 75 A 1 ATOM 577 C CA . THR A 0 75 . 0.460 5.534 -16.152 1.00 73.02 75 A 1 ATOM 578 C C . THR A 0 75 . 0.137 5.129 -17.593 1.00 73.02 75 A 1 ATOM 579 C CB . THR A 0 75 . 0.013 4.416 -15.199 1.00 73.02 75 A 1 ATOM 580 O O . THR A 0 75 . 1.023 4.688 -18.324 1.00 73.02 75 A 1 ATOM 581 C CG2 . THR A 0 75 . 0.812 3.126 -15.381 1.00 73.02 75 A 1 ATOM 582 O OG1 . THR A 0 75 . 0.155 4.797 -13.846 1.00 73.02 75 A 1 ATOM 583 N N . TRP A 0 76 . -1.109 5.339 -18.031 1.00 75.74 76 A 1 ATOM 584 C CA . TRP A 0 76 . -1.527 5.103 -19.416 1.00 75.74 76 A 1 ATOM 585 C C . TRP A 0 76 . -0.822 6.038 -20.400 1.00 75.74 76 A 1 ATOM 586 C CB . TRP A 0 76 . -3.047 5.255 -19.530 1.00 75.74 76 A 1 ATOM 587 O O . TRP A 0 76 . -0.296 5.578 -21.410 1.00 75.74 76 A 1 ATOM 588 C CG . TRP A 0 76 . -3.826 4.062 -19.096 1.00 75.74 76 A 1 ATOM 589 C CD1 . TRP A 0 76 . -4.169 3.734 -17.829 1.00 75.74 76 A 1 ATOM 590 C CD2 . TRP A 0 76 . -4.371 3.015 -19.950 1.00 75.74 76 A 1 ATOM 591 C CE2 . TRP A 0 76 . -5.044 2.068 -19.125 1.00 75.74 76 A 1 ATOM 592 C CE3 . TRP A 0 76 . -4.364 2.779 -21.342 1.00 75.74 76 A 1 ATOM 593 N NE1 . TRP A 0 76 . -4.888 2.553 -17.842 1.00 75.74 76 A 1 ATOM 594 C CH2 . TRP A 0 76 . -5.662 0.732 -21.045 1.00 75.74 76 A 1 ATOM 595 C CZ2 . TRP A 0 76 . -5.683 0.938 -19.654 1.00 75.74 76 A 1 ATOM 596 C CZ3 . TRP A 0 76 . -5.005 1.650 -21.884 1.00 75.74 76 A 1 ATOM 597 N N . VAL A 0 77 . -0.761 7.335 -20.092 1.00 75.72 77 A 1 ATOM 598 C CA . VAL A 0 77 . -0.075 8.346 -20.910 1.00 75.72 77 A 1 ATOM 599 C C . VAL A 0 77 . 1.424 8.071 -20.974 1.00 75.72 77 A 1 ATOM 600 C CB . VAL A 0 77 . -0.349 9.764 -20.370 1.00 75.72 77 A 1 ATOM 601 O O . VAL A 0 77 . 2.002 8.175 -22.048 1.00 75.72 77 A 1 ATOM 602 C CG1 . VAL A 0 77 . 0.481 10.842 -21.080 1.00 75.72 77 A 1 ATOM 603 C CG2 . VAL A 0 77 . -1.823 10.139 -20.563 1.00 75.72 77 A 1 ATOM 604 N N . GLY A 0 78 . 2.048 7.671 -19.864 1.00 75.92 78 A 1 ATOM 605 C CA . GLY A 0 78 . 3.454 7.274 -19.823 1.00 75.92 78 A 1 ATOM 606 C C . GLY A 0 78 . 3.721 6.055 -20.703 1.00 75.92 78 A 1 ATOM 607 O O . GLY A 0 78 . 4.622 6.092 -21.534 1.00 75.92 78 A 1 ATOM 608 N N . CYS A 0 79 . 2.893 5.012 -20.593 1.00 70.82 79 A 1 ATOM 609 C CA . CYS A 0 79 . 2.978 3.823 -21.444 1.00 70.82 79 A 1 ATOM 610 C C . CYS A 0 79 . 2.804 4.168 -22.933 1.00 70.82 79 A 1 ATOM 611 C CB . CYS A 0 79 . 1.924 2.818 -20.956 1.00 70.82 79 A 1 ATOM 612 O O . CYS A 0 79 . 3.606 3.747 -23.765 1.00 70.82 79 A 1 ATOM 613 S SG . CYS A 0 79 . 2.039 1.264 -21.887 1.00 70.82 79 A 1 ATOM 614 N N . PHE A 0 80 . 1.810 4.993 -23.266 1.00 79.41 80 A 1 ATOM 615 C CA . PHE A 0 80 . 1.540 5.423 -24.637 1.00 79.41 80 A 1 ATOM 616 C C . PHE A 0 80 . 2.635 6.348 -25.191 1.00 79.41 80 A 1 ATOM 617 C CB . PHE A 0 80 . 0.164 6.094 -24.668 1.00 79.41 80 A 1 ATOM 618 O O . PHE A 0 80 . 3.063 6.194 -26.330 1.00 79.41 80 A 1 ATOM 619 C CG . PHE A 0 80 . -0.334 6.386 -26.066 1.00 79.41 80 A 1 ATOM 620 C CD1 . PHE A 0 80 . -0.351 7.705 -26.556 1.00 79.41 80 A 1 ATOM 621 C CD2 . PHE A 0 80 . -0.794 5.331 -26.876 1.00 79.41 80 A 1 ATOM 622 C CE1 . PHE A 0 80 . -0.852 7.966 -27.843 1.00 79.41 80 A 1 ATOM 623 C CE2 . PHE A 0 80 . -1.268 5.591 -28.174 1.00 79.41 80 A 1 ATOM 624 C CZ . PHE A 0 80 . -1.297 6.910 -28.657 1.00 79.41 80 A 1 ATOM 625 N N . GLY A 0 81 . 3.146 7.274 -24.380 1.00 76.56 81 A 1 ATOM 626 C CA . GLY A 0 81 . 4.253 8.158 -24.742 1.00 76.56 81 A 1 ATOM 627 C C . GLY A 0 81 . 5.548 7.384 -24.978 1.00 76.56 81 A 1 ATOM 628 O O . GLY A 0 81 . 6.224 7.615 -25.976 1.00 76.56 81 A 1 ATOM 629 N N . ILE A 0 82 . 5.846 6.401 -24.123 1.00 71.01 82 A 1 ATOM 630 C CA . ILE A 0 82 . 6.957 5.459 -24.311 1.00 71.01 82 A 1 ATOM 631 C C . ILE A 0 82 . 6.788 4.669 -25.617 1.00 71.01 82 A 1 ATOM 632 C CB . ILE A 0 82 . 7.056 4.534 -23.073 1.00 71.01 82 A 1 ATOM 633 O O . ILE A 0 82 . 7.739 4.546 -26.390 1.00 71.01 82 A 1 ATOM 634 C CG1 . ILE A 0 82 . 7.673 5.302 -21.881 1.00 71.01 82 A 1 ATOM 635 C CG2 . ILE A 0 82 . 7.849 3.259 -23.395 1.00 71.01 82 A 1 ATOM 636 C CD1 . ILE A 0 82 . 7.482 4.595 -20.531 1.00 71.01 82 A 1 ATOM 637 N N . PHE A 0 83 . 5.574 4.180 -25.885 1.00 72.05 83 A 1 ATOM 638 C CA . PHE A 0 83 . 5.249 3.451 -27.109 1.00 72.05 83 A 1 ATOM 639 C C . PHE A 0 83 . 5.451 4.304 -28.374 1.00 72.05 83 A 1 ATOM 640 C CB . PHE A 0 83 . 3.812 2.924 -26.988 1.00 72.05 83 A 1 ATOM 641 O O . PHE A 0 83 . 5.943 3.792 -29.378 1.00 72.05 83 A 1 ATOM 642 C CG . PHE A 0 83 . 3.332 2.144 -28.191 1.00 72.05 83 A 1 ATOM 643 C CD1 . PHE A 0 83 . 2.502 2.757 -29.150 1.00 72.05 83 A 1 ATOM 644 C CD2 . PHE A 0 83 . 3.727 0.805 -28.358 1.00 72.05 83 A 1 ATOM 645 C CE1 . PHE A 0 83 . 2.072 2.030 -30.274 1.00 72.05 83 A 1 ATOM 646 C CE2 . PHE A 0 83 . 3.296 0.078 -29.481 1.00 72.05 83 A 1 ATOM 647 C CZ . PHE A 0 83 . 2.470 0.691 -30.439 1.00 72.05 83 A 1 ATOM 648 N N . LEU A 0 84 . 5.126 5.602 -28.325 1.00 72.82 84 A 1 ATOM 649 C CA . LEU A 0 84 . 5.236 6.512 -29.471 1.00 72.82 84 A 1 ATOM 650 C C . LEU A 0 84 . 6.641 7.088 -29.705 1.00 72.82 84 A 1 ATOM 651 C CB . LEU A 0 84 . 4.233 7.667 -29.301 1.00 72.82 84 A 1 ATOM 652 O O . LEU A 0 84 . 7.009 7.312 -30.855 1.00 72.82 84 A 1 ATOM 653 C CG . LEU A 0 84 . 2.746 7.312 -29.487 1.00 72.82 84 A 1 ATOM 654 C CD1 . LEU A 0 84 . 1.947 8.611 -29.381 1.00 72.82 84 A 1 ATOM 655 C CD2 . LEU A 0 84 . 2.442 6.679 -30.846 1.00 72.82 84 A 1 ATOM 656 N N . VAL A 0 85 . 7.409 7.376 -28.648 1.00 67.17 85 A 1 ATOM 657 C CA . VAL A 0 85 . 8.637 8.191 -28.758 1.00 67.17 85 A 1 ATOM 658 C C . VAL A 0 85 . 9.889 7.373 -29.095 1.00 67.17 85 A 1 ATOM 659 C CB . VAL A 0 85 . 8.804 9.098 -27.519 1.00 67.17 85 A 1 ATOM 660 O O . VAL A 0 85 . 10.826 7.935 -29.659 1.00 67.17 85 A 1 ATOM 661 C CG1 . VAL A 0 85 . 10.111 9.903 -27.504 1.00 67.17 85 A 1 ATOM 662 C CG2 . VAL A 0 85 . 7.666 10.132 -27.466 1.00 67.17 85 A 1 ATOM 663 N N . GLY A 0 86 . 9.914 6.055 -28.861 1.00 59.38 86 A 1 ATOM 664 C CA . GLY A 0 86 . 10.939 5.209 -29.483 1.00 59.38 86 A 1 ATOM 665 C C . GLY A 0 86 . 11.532 4.093 -28.632 1.00 59.38 86 A 1 ATOM 666 O O . GLY A 0 86 . 12.587 4.248 -28.022 1.00 59.38 86 A 1 ATOM 667 N N . GLY A 0 87 . 10.985 2.892 -28.801 1.00 57.95 87 A 1 ATOM 668 C CA . GLY A 0 87 . 11.859 1.752 -29.052 1.00 57.95 87 A 1 ATOM 669 C C . GLY A 0 87 . 11.729 0.574 -28.099 1.00 57.95 87 A 1 ATOM 670 O O . GLY A 0 87 . 11.927 0.680 -26.896 1.00 57.95 87 A 1 ATOM 671 N N . ILE A 0 88 . 11.618 -0.596 -28.726 1.00 60.06 88 A 1 ATOM 672 C CA . ILE A 0 88 . 11.907 -1.940 -28.199 1.00 60.06 88 A 1 ATOM 673 C C . ILE A 0 88 . 13.306 -2.039 -27.525 1.00 60.06 88 A 1 ATOM 674 C CB . ILE A 0 88 . 11.707 -2.916 -29.402 1.00 60.06 88 A 1 ATOM 675 O O . ILE A 0 88 . 13.624 -3.055 -26.919 1.00 60.06 88 A 1 ATOM 676 C CG1 . ILE A 0 88 . 10.195 -3.017 -29.743 1.00 60.06 88 A 1 ATOM 677 C CG2 . ILE A 0 88 . 12.278 -4.331 -29.208 1.00 60.06 88 A 1 ATOM 678 C CD1 . ILE A 0 88 . 9.888 -3.601 -31.129 1.00 60.06 88 A 1 ATOM 679 N N . PHE A 0 89 . 14.140 -0.990 -27.574 1.00 56.06 89 A 1 ATOM 680 C CA . PHE A 0 89 . 15.554 -1.019 -27.192 1.00 56.06 89 A 1 ATOM 681 C C . PHE A 0 89 . 16.032 0.073 -26.203 1.00 56.06 89 A 1 ATOM 682 C CB . PHE A 0 89 . 16.386 -1.059 -28.490 1.00 56.06 89 A 1 ATOM 683 O O . PHE A 0 89 . 17.231 0.118 -25.943 1.00 56.06 89 A 1 ATOM 684 C CG . PHE A 0 89 . 16.491 -2.449 -29.091 1.00 56.06 89 A 1 ATOM 685 C CD1 . PHE A 0 89 . 17.470 -3.334 -28.602 1.00 56.06 89 A 1 ATOM 686 C CD2 . PHE A 0 89 . 15.619 -2.871 -30.112 1.00 56.06 89 A 1 ATOM 687 C CE1 . PHE A 0 89 . 17.577 -4.634 -29.126 1.00 56.06 89 A 1 ATOM 688 C CE2 . PHE A 0 89 . 15.724 -4.174 -30.635 1.00 56.06 89 A 1 ATOM 689 C CZ . PHE A 0 89 . 16.702 -5.055 -30.141 1.00 56.06 89 A 1 ATOM 690 N N . GLY A 0 90 . 15.179 0.936 -25.615 1.00 56.15 90 A 1 ATOM 691 C CA . GLY A 0 90 . 15.714 2.040 -24.779 1.00 56.15 90 A 1 ATOM 692 C C . GLY A 0 90 . 14.798 2.769 -23.786 1.00 56.15 90 A 1 ATOM 693 O O . GLY A 0 90 . 15.228 3.747 -23.181 1.00 56.15 90 A 1 ATOM 694 N N . CYS A 0 91 . 13.556 2.335 -23.575 1.00 54.05 91 A 1 ATOM 695 C CA . CYS A 0 91 . 12.526 3.165 -22.935 1.00 54.05 91 A 1 ATOM 696 C C . CYS A 0 91 . 12.172 2.820 -21.468 1.00 54.05 91 A 1 ATOM 697 C CB . CYS A 0 91 . 11.321 3.160 -23.870 1.00 54.05 91 A 1 ATOM 698 O O . CYS A 0 91 . 11.165 3.292 -20.940 1.00 54.05 91 A 1 ATOM 699 S SG . CYS A 0 91 . 10.712 1.460 -24.086 1.00 54.05 91 A 1 ATOM 700 N N . CYS A 0 92 . 12.987 2.013 -20.784 1.00 52.56 92 A 1 ATOM 701 C CA . CYS A 0 92 . 12.630 1.395 -19.496 1.00 52.56 92 A 1 ATOM 702 C C . CYS A 0 92 . 12.873 2.266 -18.243 1.00 52.56 92 A 1 ATOM 703 C CB . CYS A 0 92 . 13.354 0.045 -19.373 1.00 52.56 92 A 1 ATOM 704 O O . CYS A 0 92 . 12.602 1.806 -17.139 1.00 52.56 92 A 1 ATOM 705 S SG . CYS A 0 92 . 13.178 -0.936 -20.895 1.00 52.56 92 A 1 ATOM 706 N N . LEU A 0 93 . 13.381 3.498 -18.376 1.00 55.34 93 A 1 ATOM 707 C CA . LEU A 0 93 . 13.801 4.323 -17.225 1.00 55.34 93 A 1 ATOM 708 C C . LEU A 0 93 . 12.778 5.381 -16.772 1.00 55.34 93 A 1 ATOM 709 C CB . LEU A 0 93 . 15.180 4.938 -17.534 1.00 55.34 93 A 1 ATOM 710 O O . LEU A 0 93 . 12.868 5.874 -15.655 1.00 55.34 93 A 1 ATOM 711 C CG . LEU A 0 93 . 16.334 3.931 -17.355 1.00 55.34 93 A 1 ATOM 712 C CD1 . LEU A 0 93 . 17.574 4.406 -18.109 1.00 55.34 93 A 1 ATOM 713 C CD2 . LEU A 0 93 . 16.709 3.759 -15.881 1.00 55.34 93 A 1 ATOM 714 N N . ILE A 0 94 . 11.780 5.706 -17.597 1.00 58.58 94 A 1 ATOM 715 C CA . ILE A 0 94 . 10.737 6.700 -17.279 1.00 58.58 94 A 1 ATOM 716 C C . ILE A 0 94 . 9.512 6.132 -16.521 1.00 58.58 94 A 1 ATOM 717 C CB . ILE A 0 94 . 10.347 7.485 -18.556 1.00 58.58 94 A 1 ATOM 718 O O . ILE A 0 94 . 8.970 6.855 -15.679 1.00 58.58 94 A 1 ATOM 719 C CG1 . ILE A 0 94 . 11.614 8.110 -19.198 1.00 58.58 94 A 1 ATOM 720 C CG2 . ILE A 0 94 . 9.311 8.582 -18.240 1.00 58.58 94 A 1 ATOM 721 C CD1 . ILE A 0 94 . 11.364 8.906 -20.484 1.00 58.58 94 A 1 ATOM 722 N N . PRO A 0 95 . 9.059 4.869 -16.709 1.00 56.26 95 A 1 ATOM 723 C CA . PRO A 0 95 . 7.844 4.390 -16.043 1.00 56.26 95 A 1 ATOM 724 C C . PRO A 0 95 . 8.002 4.225 -14.520 1.00 56.26 95 A 1 ATOM 725 C CB . PRO A 0 95 . 7.451 3.097 -16.764 1.00 56.26 95 A 1 ATOM 726 O O . PRO A 0 95 . 7.005 4.063 -13.828 1.00 56.26 95 A 1 ATOM 727 C CG . PRO A 0 95 . 8.766 2.567 -17.326 1.00 56.26 95 A 1 ATOM 728 C CD . PRO A 0 95 . 9.606 3.817 -17.560 1.00 56.26 95 A 1 ATOM 729 N N . PHE A 0 96 . 9.220 4.360 -13.987 1.00 54.42 96 A 1 ATOM 730 C CA . PHE A 0 96 . 9.516 4.292 -12.555 1.00 54.42 96 A 1 ATOM 731 C C . PHE A 0 96 . 9.226 5.592 -11.780 1.00 54.42 96 A 1 ATOM 732 C CB . PHE A 0 96 . 10.976 3.838 -12.381 1.00 54.42 96 A 1 ATOM 733 O O . PHE A 0 96 . 9.018 5.544 -10.572 1.00 54.42 96 A 1 ATOM 734 C CG . PHE A 0 96 . 11.093 2.528 -11.633 1.00 54.42 96 A 1 ATOM 735 C CD1 . PHE A 0 96 . 11.322 2.530 -10.245 1.00 54.42 96 A 1 ATOM 736 C CD2 . PHE A 0 96 . 10.931 1.307 -12.315 1.00 54.42 96 A 1 ATOM 737 C CE1 . PHE A 0 96 . 11.405 1.315 -9.543 1.00 54.42 96 A 1 ATOM 738 C CE2 . PHE A 0 96 . 11.009 0.092 -11.611 1.00 54.42 96 A 1 ATOM 739 C CZ . PHE A 0 96 . 11.248 0.096 -10.226 1.00 54.42 96 A 1 ATOM 740 N N . CYS A 0 97 . 9.155 6.756 -12.441 1.00 54.52 97 A 1 ATOM 741 C CA . CYS A 0 97 . 8.821 8.023 -11.768 1.00 54.52 97 A 1 ATOM 742 C C . CYS A 0 97 . 7.310 8.228 -11.557 1.00 54.52 97 A 1 ATOM 743 C CB . CYS A 0 97 . 9.431 9.204 -12.538 1.00 54.52 97 A 1 ATOM 744 O O . CYS A 0 97 . 6.920 9.110 -10.801 1.00 54.52 97 A 1 ATOM 745 S SG . CYS A 0 97 . 11.194 9.369 -12.139 1.00 54.52 97 A 1 ATOM 746 N N . CYS A 0 98 . 6.455 7.439 -12.215 1.00 54.20 98 A 1 ATOM 747 C CA . CYS A 0 98 . 4.998 7.627 -12.181 1.00 54.20 98 A 1 ATOM 748 C C . CYS A 0 98 . 4.265 6.695 -11.203 1.00 54.20 98 A 1 ATOM 749 C CB . CYS A 0 98 . 4.445 7.489 -13.605 1.00 54.20 98 A 1 ATOM 750 O O . CYS A 0 98 . 3.086 6.918 -10.927 1.00 54.20 98 A 1 ATOM 751 S SG . CYS A 0 98 . 4.942 8.916 -14.611 1.00 54.20 98 A 1 ATOM 752 N N . ASP A 0 99 . 4.928 5.670 -10.661 1.00 54.11 99 A 1 ATOM 753 C CA . ASP A 0 99 . 4.328 4.804 -9.636 1.00 54.11 99 A 1 ATOM 754 C C . ASP A 0 99 . 4.194 5.502 -8.271 1.00 54.11 99 A 1 ATOM 755 C CB . ASP A 0 99 . 5.105 3.481 -9.538 1.00 54.11 99 A 1 ATOM 756 O O . ASP A 0 99 . 3.358 5.102 -7.459 1.00 54.11 99 A 1 ATOM 757 C CG . ASP A 0 99 . 4.723 2.495 -10.649 1.00 54.11 99 A 1 ATOM 758 O OD1 . ASP A 0 99 . 3.511 2.425 -10.988 1.00 54.11 99 A 1 ATOM 759 O OD2 . ASP A 0 99 . 5.611 1.763 -11.122 1.00 54.11 99 A 1 ATOM 760 N N . SER A 0 100 . 4.926 6.599 -8.050 1.00 53.46 100 A 1 ATOM 761 C CA . SER A 0 100 . 4.825 7.413 -6.834 1.00 53.46 100 A 1 ATOM 762 C C . SER A 0 100 . 3.562 8.270 -6.731 1.00 53.46 100 A 1 ATOM 763 C CB . SER A 0 100 . 6.059 8.303 -6.653 1.00 53.46 100 A 1 ATOM 764 O O . SER A 0 100 . 3.367 8.858 -5.681 1.00 53.46 100 A 1 ATOM 765 O OG . SER A 0 100 . 7.141 7.520 -6.191 1.00 53.46 100 A 1 ATOM 766 N N . CYS A 0 101 . 2.678 8.318 -7.735 1.00 53.86 101 A 1 ATOM 767 C CA . CYS A 0 101 . 1.451 9.134 -7.673 1.00 53.86 101 A 1 ATOM 768 C C . CYS A 0 101 . 0.155 8.307 -7.618 1.00 53.86 101 A 1 ATOM 769 C CB . CYS A 0 101 . 1.426 10.153 -8.820 1.00 53.86 101 A 1 ATOM 770 O O . CYS A 0 101 . -0.927 8.818 -7.916 1.00 53.86 101 A 1 ATOM 771 S SG . CYS A 0 101 . 2.931 11.170 -8.863 1.00 53.86 101 A 1 ATOM 772 N N . LYS A 0 102 . 0.236 7.005 -7.316 1.00 58.46 102 A 1 ATOM 773 C CA . LYS A 0 102 . -0.964 6.173 -7.165 1.00 58.46 102 A 1 ATOM 774 C C . LYS A 0 102 . -1.564 6.382 -5.778 1.00 58.46 102 A 1 ATOM 775 C CB . LYS A 0 102 . -0.665 4.700 -7.466 1.00 58.46 102 A 1 ATOM 776 O O . LYS A 0 102 . -0.954 6.033 -4.767 1.00 58.46 102 A 1 ATOM 777 C CG . LYS A 0 102 . -0.504 4.471 -8.978 1.00 58.46 102 A 1 ATOM 778 C CD . LYS A 0 102 . -0.042 3.039 -9.261 1.00 58.46 102 A 1 ATOM 779 C CE . LYS A 0 102 . 0.105 2.804 -10.768 1.00 58.46 102 A 1 ATOM 780 N NZ . LYS A 0 102 . 0.967 1.631 -11.047 1.00 58.46 102 A 1 ATOM 781 N N . ASP A 0 103 . -2.778 6.917 -5.766 1.00 62.74 103 A 1 ATOM 782 C CA . ASP A 0 103 . -3.591 7.042 -4.565 1.00 62.74 103 A 1 ATOM 783 C C . ASP A 0 103 . -3.989 5.644 -4.066 1.00 62.74 103 A 1 ATOM 784 C CB . ASP A 0 103 . -4.824 7.926 -4.834 1.00 62.74 103 A 1 ATOM 785 O O . ASP A 0 103 . -4.493 4.809 -4.828 1.00 62.74 103 A 1 ATOM 786 C CG . ASP A 0 103 . -4.501 9.406 -5.094 1.00 62.74 103 A 1 ATOM 787 O OD1 . ASP A 0 103 . -3.409 9.865 -4.695 1.00 62.74 103 A 1 ATOM 788 O OD2 . ASP A 0 103 . -5.391 10.108 -5.631 1.00 62.74 103 A 1 ATOM 789 N N . ALA A 0 104 . -3.740 5.388 -2.784 1.00 67.04 104 A 1 ATOM 790 C CA . ALA A 0 104 . -4.229 4.207 -2.087 1.00 67.04 104 A 1 ATOM 791 C C . ALA A 0 104 . -5.553 4.569 -1.397 1.00 67.04 104 A 1 ATOM 792 C CB . ALA A 0 104 . -3.135 3.665 -1.151 1.00 67.04 104 A 1 ATOM 793 O O . ALA A 0 104 . -5.587 5.333 -0.429 1.00 67.04 104 A 1 ATOM 794 N N . ASP A 0 105 . -6.654 4.037 -1.929 1.00 74.48 105 A 1 ATOM 795 C CA . ASP A 0 105 . -7.987 4.169 -1.337 1.00 74.48 105 A 1 ATOM 796 C C . ASP A 0 105 . -8.143 3.128 -0.219 1.00 74.48 105 A 1 ATOM 797 C CB . ASP A 0 105 . -9.074 3.935 -2.411 1.00 74.48 105 A 1 ATOM 798 O O . ASP A 0 105 . -8.259 1.937 -0.514 1.00 74.48 105 A 1 ATOM 799 C CG . ASP A 0 105 . -9.378 5.119 -3.330 1.00 74.48 105 A 1 ATOM 800 O OD1 . ASP A 0 105 . -9.411 6.243 -2.811 1.00 74.48 105 A 1 ATOM 801 O OD2 . ASP A 0 105 . -9.760 4.905 -4.514 1.00 74.48 105 A 1 ATOM 802 N N . HIS A 0 106 . -8.182 3.544 1.051 1.00 78.71 106 A 1 ATOM 803 C CA . HIS A 0 106 . -8.460 2.631 2.166 1.00 78.71 106 A 1 ATOM 804 C C . HIS A 0 106 . -9.963 2.533 2.435 1.00 78.71 106 A 1 ATOM 805 C CB . HIS A 0 106 . -7.732 3.069 3.439 1.00 78.71 106 A 1 ATOM 806 O O . HIS A 0 106 . -10.626 3.530 2.737 1.00 78.71 106 A 1 ATOM 807 C CG . HIS A 0 106 . -6.238 2.923 3.369 1.00 78.71 106 A 1 ATOM 808 C CD2 . HIS A 0 106 . -5.378 3.776 2.734 1.00 78.71 106 A 1 ATOM 809 N ND1 . HIS A 0 106 . -5.475 1.962 4.000 1.00 78.71 106 A 1 ATOM 810 C CE1 . HIS A 0 106 . -4.185 2.227 3.735 1.00 78.71 106 A 1 ATOM 811 N NE2 . HIS A 0 106 . -4.083 3.336 2.990 1.00 78.71 106 A 1 ATOM 812 N N . ARG A 0 107 . -10.500 1.311 2.399 1.00 82.98 107 A 1 ATOM 813 C CA . ARG A 0 107 . -11.922 1.006 2.625 1.00 82.98 107 A 1 ATOM 814 C C . ARG A 0 107 . -12.123 0.074 3.805 1.00 82.98 107 A 1 ATOM 815 C CB . ARG A 0 107 . -12.514 0.401 1.346 1.00 82.98 107 A 1 ATOM 816 O O . ARG A 0 107 . -11.315 -0.814 4.053 1.00 82.98 107 A 1 ATOM 817 C CG . ARG A 0 107 . -12.626 1.491 0.285 1.00 82.98 107 A 1 ATOM 818 C CD . ARG A 0 107 . -13.118 0.961 -1.055 1.00 82.98 107 A 1 ATOM 819 N NE . ARG A 0 107 . -13.325 2.119 -1.926 1.00 82.98 107 A 1 ATOM 820 N NH1 . ARG A 0 107 . -14.887 1.256 -3.364 1.00 82.98 107 A 1 ATOM 821 N NH2 . ARG A 0 107 . -14.363 3.439 -3.398 1.00 82.98 107 A 1 ATOM 822 C CZ . ARG A 0 107 . -14.183 2.253 -2.906 1.00 82.98 107 A 1 ATOM 823 N N . CYS A 0 108 . -13.230 0.238 4.519 1.00 84.06 108 A 1 ATOM 824 C CA . CYS A 0 108 . -13.619 -0.700 5.565 1.00 84.06 108 A 1 ATOM 825 C C . CYS A 0 108 . -14.298 -1.947 4.963 1.00 84.06 108 A 1 ATOM 826 C CB . CYS A 0 108 . -14.535 0.030 6.548 1.00 84.06 108 A 1 ATOM 827 O O . CYS A 0 108 . -15.319 -1.782 4.299 1.00 84.06 108 A 1 ATOM 828 S SG . CYS A 0 108 . -15.055 -1.117 7.858 1.00 84.06 108 A 1 ATOM 829 N N . PRO A 0 109 . -13.838 -3.183 5.235 1.00 83.54 109 A 1 ATOM 830 C CA . PRO A 0 109 . -14.454 -4.405 4.701 1.00 83.54 109 A 1 ATOM 831 C C . PRO A 0 109 . -15.827 -4.715 5.314 1.00 83.54 109 A 1 ATOM 832 C CB . PRO A 0 109 . -13.452 -5.521 5.014 1.00 83.54 109 A 1 ATOM 833 O O . PRO A 0 109 . -16.607 -5.471 4.747 1.00 83.54 109 A 1 ATOM 834 C CG . PRO A 0 109 . -12.739 -5.025 6.270 1.00 83.54 109 A 1 ATOM 835 C CD . PRO A 0 109 . -12.679 -3.515 6.051 1.00 83.54 109 A 1 ATOM 836 N N . VAL A 0 110 . -16.138 -4.137 6.479 1.00 83.38 110 A 1 ATOM 837 C CA . VAL A 0 110 . -17.383 -4.428 7.204 1.00 83.38 110 A 1 ATOM 838 C C . VAL A 0 110 . -18.502 -3.464 6.824 1.00 83.38 110 A 1 ATOM 839 C CB . VAL A 0 110 . -17.142 -4.438 8.722 1.00 83.38 110 A 1 ATOM 840 O O . VAL A 0 110 . -19.640 -3.883 6.636 1.00 83.38 110 A 1 ATOM 841 C CG1 . VAL A 0 110 . -18.430 -4.787 9.475 1.00 83.38 110 A 1 ATOM 842 C CG2 . VAL A 0 110 . -16.083 -5.475 9.116 1.00 83.38 110 A 1 ATOM 843 N N . CYS A 0 111 . -18.204 -2.165 6.725 1.00 84.52 111 A 1 ATOM 844 C CA . CYS A 0 111 . -19.202 -1.147 6.381 1.00 84.52 111 A 1 ATOM 845 C C . CYS A 0 111 . -19.065 -0.596 4.956 1.00 84.52 111 A 1 ATOM 846 C CB . CYS A 0 111 . -19.222 -0.055 7.461 1.00 84.52 111 A 1 ATOM 847 O O . CYS A 0 111 . -19.889 0.221 4.554 1.00 84.52 111 A 1 ATOM 848 S SG . CYS A 0 111 . -17.700 0.930 7.458 1.00 84.52 111 A 1 ATOM 849 N N . ASN A 0 112 . -18.044 -1.023 4.201 1.00 81.78 112 A 1 ATOM 850 C CA . ASN A 0 112 . -17.727 -0.557 2.845 1.00 81.78 112 A 1 ATOM 851 C C . ASN A 0 112 . -17.544 0.962 2.716 1.00 81.78 112 A 1 ATOM 852 C CB . ASN A 0 112 . -18.708 -1.174 1.837 1.00 81.78 112 A 1 ATOM 853 O O . ASN A 0 112 . -17.673 1.520 1.629 1.00 81.78 112 A 1 ATOM 854 C CG . ASN A 0 112 . -18.489 -2.667 1.730 1.00 81.78 112 A 1 ATOM 855 N ND2 . ASN A 0 112 . -19.460 -3.474 2.081 1.00 81.78 112 A 1 ATOM 856 O OD1 . ASN A 0 112 . -17.429 -3.123 1.347 1.00 81.78 112 A 1 ATOM 857 N N . ARG A 0 113 . -17.236 1.644 3.822 1.00 80.95 113 A 1 ATOM 858 C CA . ARG A 0 113 . -17.005 3.088 3.841 1.00 80.95 113 A 1 ATOM 859 C C . ARG A 0 113 . -15.522 3.398 3.669 1.00 80.95 113 A 1 ATOM 860 C CB . ARG A 0 113 . -17.614 3.668 5.118 1.00 80.95 113 A 1 ATOM 861 O O . ARG A 0 113 . -14.685 2.724 4.270 1.00 80.95 113 A 1 ATOM 862 C CG . ARG A 0 113 . -17.717 5.194 5.061 1.00 80.95 113 A 1 ATOM 863 C CD . ARG A 0 113 . -18.628 5.675 6.187 1.00 80.95 113 A 1 ATOM 864 N NE . ARG A 0 113 . -20.061 5.534 5.883 1.00 80.95 113 A 1 ATOM 865 N NH1 . ARG A 0 113 . -20.404 7.665 5.104 1.00 80.95 113 A 1 ATOM 866 N NH2 . ARG A 0 113 . -22.125 6.250 5.262 1.00 80.95 113 A 1 ATOM 867 C CZ . ARG A 0 113 . -20.853 6.483 5.422 1.00 80.95 113 A 1 ATOM 868 N N . ASP A 0 114 . -15.215 4.409 2.863 1.00 79.67 114 A 1 ATOM 869 C CA . ASP A 0 114 . -13.853 4.915 2.693 1.00 79.67 114 A 1 ATOM 870 C C . ASP A 0 114 . -13.370 5.557 4.009 1.00 79.67 114 A 1 ATOM 871 C CB . ASP A 0 114 . -13.787 5.889 1.503 1.00 79.67 114 A 1 ATOM 872 O O . ASP A 0 114 . -14.075 6.362 4.622 1.00 79.67 114 A 1 ATOM 873 C CG . ASP A 0 114 . -14.237 5.255 0.173 1.00 79.67 114 A 1 ATOM 874 O OD1 . ASP A 0 114 . -13.476 4.466 -0.436 1.00 79.67 114 A 1 ATOM 875 O OD2 . ASP A 0 114 . -15.377 5.539 -0.251 1.00 79.67 114 A 1 ATOM 876 N N . LEU A 0 115 . -12.188 5.146 4.470 1.00 73.21 115 A 1 ATOM 877 C CA . LEU A 0 115 . -11.579 5.576 5.735 1.00 73.21 115 A 1 ATOM 878 C C . LEU A 0 115 . -10.586 6.717 5.540 1.00 73.21 115 A 1 ATOM 879 C CB . LEU A 0 115 . -10.884 4.366 6.375 1.00 73.21 115 A 1 ATOM 880 O O . LEU A 0 115 . -10.389 7.531 6.437 1.00 73.21 115 A 1 ATOM 881 C CG . LEU A 0 115 . -11.883 3.302 6.843 1.00 73.21 115 A 1 ATOM 882 C CD1 . LEU A 0 115 . -11.143 2.048 7.264 1.00 73.21 115 A 1 ATOM 883 C CD2 . LEU A 0 115 . -12.691 3.782 8.039 1.00 73.21 115 A 1 ATOM 884 N N . GLY A 0 116 . -9.985 6.790 4.358 1.00 65.61 116 A 1 ATOM 885 C CA . GLY A 0 116 . -9.059 7.846 3.996 1.00 65.61 116 A 1 ATOM 886 C C . GLY A 0 116 . -8.305 7.513 2.718 1.00 65.61 116 A 1 ATOM 887 O O . GLY A 0 116 . -8.118 6.350 2.361 1.00 65.61 116 A 1 ATOM 888 N N . LEU A 0 117 . -7.895 8.571 2.031 1.00 62.13 117 A 1 ATOM 889 C CA . LEU A 0 117 . -7.071 8.527 0.832 1.00 62.13 117 A 1 ATOM 890 C C . LEU A 0 117 . -5.613 8.706 1.251 1.00 62.13 117 A 1 ATOM 891 C CB . LEU A 0 117 . -7.520 9.681 -0.084 1.00 62.13 117 A 1 ATOM 892 O O . LEU A 0 117 . -5.272 9.754 1.804 1.00 62.13 117 A 1 ATOM 893 C CG . LEU A 0 117 . -8.852 9.410 -0.807 1.00 62.13 117 A 1 ATOM 894 C CD1 . LEU A 0 117 . -9.670 10.693 -0.966 1.00 62.13 117 A 1 ATOM 895 C CD2 . LEU A 0 117 . -8.555 8.907 -2.208 1.00 62.13 117 A 1 ATOM 896 N N . TYR A 0 118 . -4.748 7.732 0.965 1.00 66.16 118 A 1 ATOM 897 C CA . TYR A 0 118 . -3.312 7.990 0.963 1.00 66.16 118 A 1 ATOM 898 C C . TYR A 0 118 . -2.926 8.557 -0.399 1.00 66.16 118 A 1 ATOM 899 C CB . TYR A 0 118 . -2.480 6.730 1.228 1.00 66.16 118 A 1 ATOM 900 O O . TYR A 0 118 . -2.894 7.820 -1.386 1.00 66.16 118 A 1 ATOM 901 C CG . TYR A 0 118 . -1.000 7.004 1.409 1.00 66.16 118 A 1 ATOM 902 C CD1 . TYR A 0 118 . -0.079 6.139 0.801 1.00 66.16 118 A 1 ATOM 903 C CD2 . TYR A 0 118 . -0.534 8.075 2.203 1.00 66.16 118 A 1 ATOM 904 C CE1 . TYR A 0 118 . 1.299 6.335 0.987 1.00 66.16 118 A 1 ATOM 905 C CE2 . TYR A 0 118 . 0.845 8.283 2.379 1.00 66.16 118 A 1 ATOM 906 O OH . TYR A 0 118 . 3.099 7.611 1.896 1.00 66.16 118 A 1 ATOM 907 C CZ . TYR A 0 118 . 1.764 7.416 1.759 1.00 66.16 118 A 1 ATOM 908 N N . ARG A 0 119 . -2.628 9.856 -0.459 1.00 56.36 119 A 1 ATOM 909 C CA . ARG A 0 119 . -2.021 10.453 -1.650 1.00 56.36 119 A 1 ATOM 910 C C . ARG A 0 119 . -0.512 10.435 -1.503 1.00 56.36 119 A 1 ATOM 911 C CB . ARG A 0 119 . -2.535 11.868 -1.917 1.00 56.36 119 A 1 ATOM 912 O O . ARG A 0 119 . 0.022 11.009 -0.555 1.00 56.36 119 A 1 ATOM 913 C CG . ARG A 0 119 . -4.050 11.880 -2.142 1.00 56.36 119 A 1 ATOM 914 C CD . ARG A 0 119 . -4.445 13.169 -2.855 1.00 56.36 119 A 1 ATOM 915 N NE . ARG A 0 119 . -5.861 13.133 -3.243 1.00 56.36 119 A 1 ATOM 916 N NH1 . ARG A 0 119 . -5.979 15.275 -4.039 1.00 56.36 119 A 1 ATOM 917 N NH2 . ARG A 0 119 . -7.790 13.965 -4.098 1.00 56.36 119 A 1 ATOM 918 C CZ . ARG A 0 119 . -6.536 14.123 -3.788 1.00 56.36 119 A 1 ATOM 919 N N . ARG A 0 120 . 0.162 9.797 -2.450 1.00 58.72 120 A 1 ATOM 920 C CA . ARG A 0 120 . 1.614 9.885 -2.604 1.00 58.72 120 A 1 ATOM 921 C C . ARG A 0 120 . 1.874 10.986 -3.629 1.00 58.72 120 A 1 ATOM 922 C CB . ARG A 0 120 . 2.167 8.523 -3.027 1.00 58.72 120 A 1 ATOM 923 O O . ARG A 0 120 . 1.287 10.951 -4.707 1.00 58.72 120 A 1 ATOM 924 C CG . ARG A 0 120 . 1.792 7.419 -2.045 1.00 58.72 120 A 1 ATOM 925 C CD . ARG A 0 120 . 2.510 6.120 -2.409 1.00 58.72 120 A 1 ATOM 926 N NE . ARG A 0 120 . 1.709 4.966 -1.991 1.00 58.72 120 A 1 ATOM 927 N NH1 . ARG A 0 120 . 3.339 3.347 -2.130 1.00 58.72 120 A 1 ATOM 928 N NH2 . ARG A 0 120 . 1.201 2.803 -1.798 1.00 58.72 120 A 1 ATOM 929 C CZ . ARG A 0 120 . 2.099 3.714 -1.965 1.00 58.72 120 A 1 ATOM 930 N N . CYS A 0 121 . 2.604 12.024 -3.233 1.00 50.64 121 A 1 ATOM 931 C CA . CYS A 0 121 . 2.936 13.156 -4.097 1.00 50.64 121 A 1 ATOM 932 C C . CYS A 0 121 . 4.079 12.812 -5.052 1.00 50.64 121 A 1 ATOM 933 C CB . CYS A 0 121 . 3.233 14.397 -3.241 1.00 50.64 121 A 1 ATOM 934 O O . CYS A 0 121 . 5.043 12.158 -4.591 1.00 50.64 121 A 1 ATOM 935 S SG . CYS A 0 121 . 4.591 14.022 -2.097 1.00 50.64 121 A 1 ATOM 936 O OXT . CYS A 0 121 . 3.963 13.269 -6.207 1.00 50.64 121 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 64.55 # loop_ _atom_type.symbol C N O S #