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 HIS 0 3 SER 0 4 ASP 0 5 PHE 0 6 LEU 0 7 PHE 0 8 ILE 0 9 TYR 0 10 ILE 0 11 LEU 0 12 ILE 0 13 PHE 0 14 SER 0 15 ILE 0 16 PRO 0 17 SER 0 18 TYR 0 19 VAL 0 20 HIS 0 21 PHE 0 22 TYR 0 23 SER 0 24 VAL 0 25 LEU 0 26 PRO 0 27 LEU 0 28 LEU 0 29 LEU 0 30 LEU 0 31 SER 0 32 LEU 0 33 SER 0 34 HIS 0 35 PHE 0 36 TYR 0 37 CYS 0 38 TYR 0 39 TYR 0 40 TYR 0 41 TYR 0 42 PHE 0 43 ASP 0 44 LEU 0 45 PHE 0 46 PHE 0 47 LEU 0 48 PHE 0 49 ILE 0 50 LEU 0 51 PHE 0 52 ILE 0 53 LEU 0 54 SER 0 55 ARG 0 56 ARG 0 57 CYS 0 58 THR 0 59 ALA 0 60 THR 0 61 CYS 0 62 SER 0 63 ASN 0 64 THR 0 65 PHE 0 66 LEU 0 67 GLN 0 68 SER 0 69 HIS 0 70 ARG 0 71 PRO 0 72 ILE 0 73 ILE 0 74 THR 0 75 LEU # 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 . 31.254 4.806 -42.990 1.00 69.49 1 A 1 ATOM 2 C CA . MET A 0 1 . 31.906 5.555 -41.897 1.00 69.49 1 A 1 ATOM 3 C C . MET A 0 1 . 30.938 6.440 -41.118 1.00 69.49 1 A 1 ATOM 4 C CB . MET A 0 1 . 33.186 6.299 -42.319 1.00 69.49 1 A 1 ATOM 5 O O . MET A 0 1 . 31.025 6.419 -39.907 1.00 69.49 1 A 1 ATOM 6 C CG . MET A 0 1 . 34.294 5.287 -42.644 1.00 69.49 1 A 1 ATOM 7 S SD . MET A 0 1 . 35.969 5.969 -42.675 1.00 69.49 1 A 1 ATOM 8 C CE . MET A 0 1 . 36.924 4.424 -42.675 1.00 69.49 1 A 1 ATOM 9 N N . HIS A 0 2 . 30.001 7.187 -41.724 1.00 82.82 2 A 1 ATOM 10 C CA . HIS A 0 2 . 29.077 8.034 -40.936 1.00 82.82 2 A 1 ATOM 11 C C . HIS A 0 2 . 28.036 7.237 -40.110 1.00 82.82 2 A 1 ATOM 12 C CB . HIS A 0 2 . 28.407 9.052 -41.873 1.00 82.82 2 A 1 ATOM 13 O O . HIS A 0 2 . 27.677 7.646 -39.010 1.00 82.82 2 A 1 ATOM 14 C CG . HIS A 0 2 . 27.950 10.303 -41.164 1.00 82.82 2 A 1 ATOM 15 C CD2 . HIS A 0 2 . 26.665 10.642 -40.832 1.00 82.82 2 A 1 ATOM 16 N ND1 . HIS A 0 2 . 28.760 11.339 -40.750 1.00 82.82 2 A 1 ATOM 17 C CE1 . HIS A 0 2 . 27.982 12.276 -40.184 1.00 82.82 2 A 1 ATOM 18 N NE2 . HIS A 0 2 . 26.698 11.896 -40.217 1.00 82.82 2 A 1 ATOM 19 N N . SER A 0 3 . 27.595 6.071 -40.599 1.00 82.60 3 A 1 ATOM 20 C CA . SER A 0 3 . 26.643 5.182 -39.909 1.00 82.60 3 A 1 ATOM 21 C C . SER A 0 3 . 27.178 4.614 -38.590 1.00 82.60 3 A 1 ATOM 22 C CB . SER A 0 3 . 26.271 4.023 -40.845 1.00 82.60 3 A 1 ATOM 23 O O . SER A 0 3 . 26.431 4.498 -37.622 1.00 82.60 3 A 1 ATOM 24 O OG . SER A 0 3 . 27.442 3.445 -41.413 1.00 82.60 3 A 1 ATOM 25 N N . ASP A 0 4 . 28.474 4.299 -38.534 1.00 88.60 4 A 1 ATOM 26 C CA . ASP A 0 4 . 29.104 3.655 -37.375 1.00 88.60 4 A 1 ATOM 27 C C . ASP A 0 4 . 29.236 4.636 -36.198 1.00 88.60 4 A 1 ATOM 28 C CB . ASP A 0 4 . 30.467 3.078 -37.797 1.00 88.60 4 A 1 ATOM 29 O O . ASP A 0 4 . 28.989 4.279 -35.046 1.00 88.60 4 A 1 ATOM 30 C CG . ASP A 0 4 . 30.360 2.277 -39.100 1.00 88.60 4 A 1 ATOM 31 O OD1 . ASP A 0 4 . 29.540 1.336 -39.135 1.00 88.60 4 A 1 ATOM 32 O OD2 . ASP A 0 4 . 30.966 2.724 -40.110 1.00 88.60 4 A 1 ATOM 33 N N . PHE A 0 5 . 29.529 5.910 -36.491 1.00 86.93 5 A 1 ATOM 34 C CA . PHE A 0 5 . 29.553 6.980 -35.488 1.00 86.93 5 A 1 ATOM 35 C C . PHE A 0 5 . 28.172 7.230 -34.871 1.00 86.93 5 A 1 ATOM 36 C CB . PHE A 0 5 . 30.104 8.275 -36.104 1.00 86.93 5 A 1 ATOM 37 O O . PHE A 0 5 . 28.075 7.414 -33.657 1.00 86.93 5 A 1 ATOM 38 C CG . PHE A 0 5 . 31.617 8.322 -36.183 1.00 86.93 5 A 1 ATOM 39 C CD1 . PHE A 0 5 . 32.372 8.583 -35.025 1.00 86.93 5 A 1 ATOM 40 C CD2 . PHE A 0 5 . 32.277 8.115 -37.405 1.00 86.93 5 A 1 ATOM 41 C CE1 . PHE A 0 5 . 33.776 8.619 -35.091 1.00 86.93 5 A 1 ATOM 42 C CE2 . PHE A 0 5 . 33.681 8.128 -37.472 1.00 86.93 5 A 1 ATOM 43 C CZ . PHE A 0 5 . 34.432 8.382 -36.312 1.00 86.93 5 A 1 ATOM 44 N N . LEU A 0 6 . 27.102 7.201 -35.676 1.00 86.66 6 A 1 ATOM 45 C CA . LEU A 0 6 . 25.734 7.381 -35.179 1.00 86.66 6 A 1 ATOM 46 C C . LEU A 0 6 . 25.331 6.242 -34.230 1.00 86.66 6 A 1 ATOM 47 C CB . LEU A 0 6 . 24.773 7.482 -36.375 1.00 86.66 6 A 1 ATOM 48 O O . LEU A 0 6 . 24.736 6.491 -33.183 1.00 86.66 6 A 1 ATOM 49 C CG . LEU A 0 6 . 23.363 7.958 -35.958 1.00 86.66 6 A 1 ATOM 50 C CD1 . LEU A 0 6 . 23.074 9.350 -36.520 1.00 86.66 6 A 1 ATOM 51 C CD2 . LEU A 0 6 . 22.287 6.998 -36.465 1.00 86.66 6 A 1 ATOM 52 N N . PHE A 0 7 . 25.704 5.003 -34.561 1.00 88.07 7 A 1 ATOM 53 C CA . PHE A 0 7 . 25.442 3.846 -33.706 1.00 88.07 7 A 1 ATOM 54 C C . PHE A 0 7 . 26.149 3.961 -32.348 1.00 88.07 7 A 1 ATOM 55 C CB . PHE A 0 7 . 25.854 2.571 -34.449 1.00 88.07 7 A 1 ATOM 56 O O . PHE A 0 7 . 25.515 3.776 -31.308 1.00 88.07 7 A 1 ATOM 57 C CG . PHE A 0 7 . 25.528 1.312 -33.675 1.00 88.07 7 A 1 ATOM 58 C CD1 . PHE A 0 7 . 26.524 0.659 -32.925 1.00 88.07 7 A 1 ATOM 59 C CD2 . PHE A 0 7 . 24.211 0.814 -33.674 1.00 88.07 7 A 1 ATOM 60 C CE1 . PHE A 0 7 . 26.206 -0.492 -32.183 1.00 88.07 7 A 1 ATOM 61 C CE2 . PHE A 0 7 . 23.894 -0.337 -32.933 1.00 88.07 7 A 1 ATOM 62 C CZ . PHE A 0 7 . 24.891 -0.991 -32.189 1.00 88.07 7 A 1 ATOM 63 N N . ILE A 0 8 . 27.433 4.339 -32.340 1.00 87.23 8 A 1 ATOM 64 C CA . ILE A 0 8 . 28.203 4.556 -31.104 1.00 87.23 8 A 1 ATOM 65 C C . ILE A 0 8 . 27.584 5.687 -30.267 1.00 87.23 8 A 1 ATOM 66 C CB . ILE A 0 8 . 29.692 4.815 -31.438 1.00 87.23 8 A 1 ATOM 67 O O . ILE A 0 8 . 27.460 5.546 -29.051 1.00 87.23 8 A 1 ATOM 68 C CG1 . ILE A 0 8 . 30.335 3.547 -32.049 1.00 87.23 8 A 1 ATOM 69 C CG2 . ILE A 0 8 . 30.480 5.246 -30.186 1.00 87.23 8 A 1 ATOM 70 C CD1 . ILE A 0 8 . 31.708 3.797 -32.689 1.00 87.23 8 A 1 ATOM 71 N N . TYR A 0 9 . 27.140 6.779 -30.896 1.00 86.42 9 A 1 ATOM 72 C CA . TYR A 0 9 . 26.493 7.892 -30.194 1.00 86.42 9 A 1 ATOM 73 C C . TYR A 0 9 . 25.169 7.481 -29.528 1.00 86.42 9 A 1 ATOM 74 C CB . TYR A 0 9 . 26.287 9.056 -31.170 1.00 86.42 9 A 1 ATOM 75 O O . TYR A 0 9 . 24.953 7.784 -28.354 1.00 86.42 9 A 1 ATOM 76 C CG . TYR A 0 9 . 25.756 10.309 -30.503 1.00 86.42 9 A 1 ATOM 77 C CD1 . TYR A 0 9 . 24.376 10.593 -30.519 1.00 86.42 9 A 1 ATOM 78 C CD2 . TYR A 0 9 . 26.646 11.177 -29.841 1.00 86.42 9 A 1 ATOM 79 C CE1 . TYR A 0 9 . 23.889 11.749 -29.878 1.00 86.42 9 A 1 ATOM 80 C CE2 . TYR A 0 9 . 26.162 12.334 -29.201 1.00 86.42 9 A 1 ATOM 81 O OH . TYR A 0 9 . 24.305 13.737 -28.608 1.00 86.42 9 A 1 ATOM 82 C CZ . TYR A 0 9 . 24.779 12.621 -29.220 1.00 86.42 9 A 1 ATOM 83 N N . ILE A 0 10 . 24.307 6.742 -30.239 1.00 86.40 10 A 1 ATOM 84 C CA . ILE A 0 10 . 23.046 6.221 -29.682 1.00 86.40 10 A 1 ATOM 85 C C . ILE A 0 10 . 23.330 5.251 -28.533 1.00 86.40 10 A 1 ATOM 86 C CB . ILE A 0 10 . 22.193 5.546 -30.783 1.00 86.40 10 A 1 ATOM 87 O O . ILE A 0 10 . 22.679 5.334 -27.491 1.00 86.40 10 A 1 ATOM 88 C CG1 . ILE A 0 10 . 21.705 6.602 -31.800 1.00 86.40 10 A 1 ATOM 89 C CG2 . ILE A 0 10 . 20.978 4.809 -30.180 1.00 86.40 10 A 1 ATOM 90 C CD1 . ILE A 0 10 . 21.134 5.997 -33.089 1.00 86.40 10 A 1 ATOM 91 N N . LEU A 0 11 . 24.318 4.364 -28.688 1.00 83.86 11 A 1 ATOM 92 C CA . LEU A 0 11 . 24.702 3.426 -27.638 1.00 83.86 11 A 1 ATOM 93 C C . LEU A 0 11 . 25.132 4.179 -26.371 1.00 83.86 11 A 1 ATOM 94 C CB . LEU A 0 11 . 25.799 2.487 -28.169 1.00 83.86 11 A 1 ATOM 95 O O . LEU A 0 11 . 24.571 3.924 -25.306 1.00 83.86 11 A 1 ATOM 96 C CG . LEU A 0 11 . 26.142 1.338 -27.203 1.00 83.86 11 A 1 ATOM 97 C CD1 . LEU A 0 11 . 25.009 0.314 -27.100 1.00 83.86 11 A 1 ATOM 98 C CD2 . LEU A 0 11 . 27.398 0.617 -27.690 1.00 83.86 11 A 1 ATOM 99 N N . ILE A 0 12 . 26.031 5.161 -26.493 1.00 84.91 12 A 1 ATOM 100 C CA . ILE A 0 12 . 26.497 5.991 -25.369 1.00 84.91 12 A 1 ATOM 101 C C . ILE A 0 12 . 25.339 6.742 -24.706 1.00 84.91 12 A 1 ATOM 102 C CB . ILE A 0 12 . 27.611 6.960 -25.830 1.00 84.91 12 A 1 ATOM 103 O O . ILE A 0 12 . 25.279 6.789 -23.480 1.00 84.91 12 A 1 ATOM 104 C CG1 . ILE A 0 12 . 28.887 6.166 -26.191 1.00 84.91 12 A 1 ATOM 105 C CG2 . ILE A 0 12 . 27.949 7.998 -24.740 1.00 84.91 12 A 1 ATOM 106 C CD1 . ILE A 0 12 . 29.941 6.999 -26.932 1.00 84.91 12 A 1 ATOM 107 N N . PHE A 0 13 . 24.408 7.299 -25.485 1.00 82.13 13 A 1 ATOM 108 C CA . PHE A 0 13 . 23.262 8.029 -24.939 1.00 82.13 13 A 1 ATOM 109 C C . PHE A 0 13 . 22.240 7.104 -24.261 1.00 82.13 13 A 1 ATOM 110 C CB . PHE A 0 13 . 22.616 8.854 -26.057 1.00 82.13 13 A 1 ATOM 111 O O . PHE A 0 13 . 21.608 7.484 -23.279 1.00 82.13 13 A 1 ATOM 112 C CG . PHE A 0 13 . 21.671 9.915 -25.531 1.00 82.13 13 A 1 ATOM 113 C CD1 . PHE A 0 13 . 20.287 9.674 -25.461 1.00 82.13 13 A 1 ATOM 114 C CD2 . PHE A 0 13 . 22.191 11.141 -25.076 1.00 82.13 13 A 1 ATOM 115 C CE1 . PHE A 0 13 . 19.425 10.659 -24.945 1.00 82.13 13 A 1 ATOM 116 C CE2 . PHE A 0 13 . 21.330 12.126 -24.559 1.00 82.13 13 A 1 ATOM 117 C CZ . PHE A 0 13 . 19.947 11.885 -24.495 1.00 82.13 13 A 1 ATOM 118 N N . SER A 0 14 . 22.099 5.870 -24.745 1.00 82.59 14 A 1 ATOM 119 C CA . SER A 0 14 . 21.139 4.907 -24.204 1.00 82.59 14 A 1 ATOM 120 C C . SER A 0 14 . 21.590 4.275 -22.882 1.00 82.59 14 A 1 ATOM 121 C CB . SER A 0 14 . 20.822 3.850 -25.261 1.00 82.59 14 A 1 ATOM 122 O O . SER A 0 14 . 20.750 4.026 -22.020 1.00 82.59 14 A 1 ATOM 123 O OG . SER A 0 14 . 21.910 2.971 -25.482 1.00 82.59 14 A 1 ATOM 124 N N . ILE A 0 15 . 22.898 4.059 -22.677 1.00 80.71 15 A 1 ATOM 125 C CA . ILE A 0 15 . 23.454 3.455 -21.451 1.00 80.71 15 A 1 ATOM 126 C C . ILE A 0 15 . 22.975 4.165 -20.167 1.00 80.71 15 A 1 ATOM 127 C CB . ILE A 0 15 . 24.999 3.361 -21.527 1.00 80.71 15 A 1 ATOM 128 O O . ILE A 0 15 . 22.431 3.477 -19.299 1.00 80.71 15 A 1 ATOM 129 C CG1 . ILE A 0 15 . 25.434 2.317 -22.580 1.00 80.71 15 A 1 ATOM 130 C CG2 . ILE A 0 15 . 25.610 2.965 -20.166 1.00 80.71 15 A 1 ATOM 131 C CD1 . ILE A 0 15 . 26.887 2.490 -23.042 1.00 80.71 15 A 1 ATOM 132 N N . PRO A 0 16 . 23.106 5.500 -20.002 1.00 78.04 16 A 1 ATOM 133 C CA . PRO A 0 16 . 22.626 6.171 -18.798 1.00 78.04 16 A 1 ATOM 134 C C . PRO A 0 16 . 21.104 6.067 -18.653 1.00 78.04 16 A 1 ATOM 135 C CB . PRO A 0 16 . 23.107 7.622 -18.903 1.00 78.04 16 A 1 ATOM 136 O O . PRO A 0 16 . 20.624 5.875 -17.539 1.00 78.04 16 A 1 ATOM 137 C CG . PRO A 0 16 . 23.280 7.841 -20.403 1.00 78.04 16 A 1 ATOM 138 C CD . PRO A 0 16 . 23.727 6.468 -20.893 1.00 78.04 16 A 1 ATOM 139 N N . SER A 0 17 . 20.335 6.115 -19.748 1.00 76.46 17 A 1 ATOM 140 C CA . SER A 0 17 . 18.879 5.923 -19.699 1.00 76.46 17 A 1 ATOM 141 C C . SER A 0 17 . 18.495 4.525 -19.206 1.00 76.46 17 A 1 ATOM 142 C CB . SER A 0 17 . 18.244 6.167 -21.070 1.00 76.46 17 A 1 ATOM 143 O O . SER A 0 17 . 17.588 4.405 -18.384 1.00 76.46 17 A 1 ATOM 144 O OG . SER A 0 17 . 18.581 7.451 -21.554 1.00 76.46 17 A 1 ATOM 145 N N . TYR A 0 18 . 19.209 3.479 -19.634 1.00 79.13 18 A 1 ATOM 146 C CA . TYR A 0 18 . 19.009 2.122 -19.122 1.00 79.13 18 A 1 ATOM 147 C C . TYR A 0 18 . 19.350 2.031 -17.631 1.00 79.13 18 A 1 ATOM 148 C CB . TYR A 0 18 . 19.821 1.107 -19.944 1.00 79.13 18 A 1 ATOM 149 O O . TYR A 0 18 . 18.555 1.501 -16.859 1.00 79.13 18 A 1 ATOM 150 C CG . TYR A 0 18 . 19.194 0.755 -21.282 1.00 79.13 18 A 1 ATOM 151 C CD1 . TYR A 0 18 . 18.015 -0.014 -21.318 1.00 79.13 18 A 1 ATOM 152 C CD2 . TYR A 0 18 . 19.793 1.162 -22.488 1.00 79.13 18 A 1 ATOM 153 C CE1 . TYR A 0 18 . 17.417 -0.334 -22.552 1.00 79.13 18 A 1 ATOM 154 C CE2 . TYR A 0 18 . 19.189 0.861 -23.724 1.00 79.13 18 A 1 ATOM 155 O OH . TYR A 0 18 . 17.406 -0.179 -24.945 1.00 79.13 18 A 1 ATOM 156 C CZ . TYR A 0 18 . 17.992 0.120 -23.756 1.00 79.13 18 A 1 ATOM 157 N N . VAL A 0 19 . 20.476 2.601 -17.190 1.00 80.50 19 A 1 ATOM 158 C CA . VAL A 0 19 . 20.864 2.615 -15.766 1.00 80.50 19 A 1 ATOM 159 C C . VAL A 0 19 . 19.843 3.383 -14.910 1.00 80.50 19 A 1 ATOM 160 C CB . VAL A 0 19 . 22.287 3.188 -15.607 1.00 80.50 19 A 1 ATOM 161 O O . VAL A 0 19 . 19.474 2.935 -13.820 1.00 80.50 19 A 1 ATOM 162 C CG1 . VAL A 0 19 . 22.700 3.319 -14.136 1.00 80.50 19 A 1 ATOM 163 C CG2 . VAL A 0 19 . 23.327 2.280 -16.281 1.00 80.50 19 A 1 ATOM 164 N N . HIS A 0 20 . 19.310 4.498 -15.414 1.00 76.05 20 A 1 ATOM 165 C CA . HIS A 0 20 . 18.215 5.219 -14.761 1.00 76.05 20 A 1 ATOM 166 C C . HIS A 0 20 . 16.936 4.376 -14.687 1.00 76.05 20 A 1 ATOM 167 C CB . HIS A 0 20 . 17.961 6.560 -15.461 1.00 76.05 20 A 1 ATOM 168 O O . HIS A 0 20 . 16.305 4.317 -13.636 1.00 76.05 20 A 1 ATOM 169 C CG . HIS A 0 20 . 18.781 7.674 -14.867 1.00 76.05 20 A 1 ATOM 170 C CD2 . HIS A 0 20 . 19.926 8.229 -15.373 1.00 76.05 20 A 1 ATOM 171 N ND1 . HIS A 0 20 . 18.508 8.320 -13.682 1.00 76.05 20 A 1 ATOM 172 C CE1 . HIS A 0 20 . 19.460 9.246 -13.483 1.00 76.05 20 A 1 ATOM 173 N NE2 . HIS A 0 20 . 20.346 9.228 -14.489 1.00 76.05 20 A 1 ATOM 174 N N . PHE A 0 21 . 16.574 3.665 -15.754 1.00 78.72 21 A 1 ATOM 175 C CA . PHE A 0 21 . 15.398 2.795 -15.750 1.00 78.72 21 A 1 ATOM 176 C C . PHE A 0 21 . 15.527 1.657 -14.722 1.00 78.72 21 A 1 ATOM 177 C CB . PHE A 0 21 . 15.166 2.270 -17.170 1.00 78.72 21 A 1 ATOM 178 O O . PHE A 0 21 . 14.612 1.436 -13.929 1.00 78.72 21 A 1 ATOM 179 C CG . PHE A 0 21 . 13.866 1.510 -17.316 1.00 78.72 21 A 1 ATOM 180 C CD1 . PHE A 0 21 . 13.855 0.104 -17.256 1.00 78.72 21 A 1 ATOM 181 C CD2 . PHE A 0 21 . 12.661 2.215 -17.492 1.00 78.72 21 A 1 ATOM 182 C CE1 . PHE A 0 21 . 12.640 -0.593 -17.380 1.00 78.72 21 A 1 ATOM 183 C CE2 . PHE A 0 21 . 11.448 1.517 -17.614 1.00 78.72 21 A 1 ATOM 184 C CZ . PHE A 0 21 . 11.437 0.113 -17.559 1.00 78.72 21 A 1 ATOM 185 N N . TYR A 0 22 . 16.688 0.998 -14.660 1.00 80.39 22 A 1 ATOM 186 C CA . TYR A 0 22 . 16.955 -0.071 -13.690 1.00 80.39 22 A 1 ATOM 187 C C . TYR A 0 22 . 17.081 0.411 -12.244 1.00 80.39 22 A 1 ATOM 188 C CB . TYR A 0 22 . 18.220 -0.843 -14.085 1.00 80.39 22 A 1 ATOM 189 O O . TYR A 0 22 . 16.874 -0.388 -11.336 1.00 80.39 22 A 1 ATOM 190 C CG . TYR A 0 22 . 17.991 -1.841 -15.200 1.00 80.39 22 A 1 ATOM 191 C CD1 . TYR A 0 22 . 17.261 -3.018 -14.944 1.00 80.39 22 A 1 ATOM 192 C CD2 . TYR A 0 22 . 18.512 -1.609 -16.485 1.00 80.39 22 A 1 ATOM 193 C CE1 . TYR A 0 22 . 17.031 -3.942 -15.981 1.00 80.39 22 A 1 ATOM 194 C CE2 . TYR A 0 22 . 18.264 -2.514 -17.532 1.00 80.39 22 A 1 ATOM 195 O OH . TYR A 0 22 . 17.293 -4.577 -18.274 1.00 80.39 22 A 1 ATOM 196 C CZ . TYR A 0 22 . 17.522 -3.685 -17.277 1.00 80.39 22 A 1 ATOM 197 N N . SER A 0 23 . 17.404 1.683 -12.005 1.00 81.53 23 A 1 ATOM 198 C CA . SER A 0 23 . 17.421 2.239 -10.646 1.00 81.53 23 A 1 ATOM 199 C C . SER A 0 23 . 16.033 2.696 -10.191 1.00 81.53 23 A 1 ATOM 200 C CB . SER A 0 23 . 18.464 3.349 -10.505 1.00 81.53 23 A 1 ATOM 201 O O . SER A 0 23 . 15.663 2.439 -9.050 1.00 81.53 23 A 1 ATOM 202 O OG . SER A 0 23 . 18.266 4.373 -11.452 1.00 81.53 23 A 1 ATOM 203 N N . VAL A 0 24 . 15.219 3.293 -11.067 1.00 83.04 24 A 1 ATOM 204 C CA . VAL A 0 24 . 13.870 3.778 -10.713 1.00 83.04 24 A 1 ATOM 205 C C . VAL A 0 24 . 12.856 2.636 -10.580 1.00 83.04 24 A 1 ATOM 206 C CB . VAL A 0 24 . 13.395 4.832 -11.732 1.00 83.04 24 A 1 ATOM 207 O O . VAL A 0 24 . 11.990 2.681 -9.705 1.00 83.04 24 A 1 ATOM 208 C CG1 . VAL A 0 24 . 11.965 5.320 -11.455 1.00 83.04 24 A 1 ATOM 209 C CG2 . VAL A 0 24 . 14.298 6.074 -11.692 1.00 83.04 24 A 1 ATOM 210 N N . LEU A 0 25 . 12.967 1.591 -11.403 1.00 83.74 25 A 1 ATOM 211 C CA . LEU A 0 25 . 12.052 0.448 -11.375 1.00 83.74 25 A 1 ATOM 212 C C . LEU A 0 25 . 11.952 -0.253 -9.998 1.00 83.74 25 A 1 ATOM 213 C CB . LEU A 0 25 . 12.434 -0.514 -12.514 1.00 83.74 25 A 1 ATOM 214 O O . LEU A 0 25 . 10.829 -0.433 -9.522 1.00 83.74 25 A 1 ATOM 215 C CG . LEU A 0 25 . 11.461 -1.689 -12.706 1.00 83.74 25 A 1 ATOM 216 C CD1 . LEU A 0 25 . 10.073 -1.211 -13.140 1.00 83.74 25 A 1 ATOM 217 C CD2 . LEU A 0 25 . 12.007 -2.625 -13.784 1.00 83.74 25 A 1 ATOM 218 N N . PRO A 0 26 . 13.050 -0.623 -9.305 1.00 81.00 26 A 1 ATOM 219 C CA . PRO A 0 26 . 12.966 -1.241 -7.980 1.00 81.00 26 A 1 ATOM 220 C C . PRO A 0 26 . 12.426 -0.283 -6.912 1.00 81.00 26 A 1 ATOM 221 C CB . PRO A 0 26 . 14.386 -1.714 -7.651 1.00 81.00 26 A 1 ATOM 222 O O . PRO A 0 26 . 11.710 -0.725 -6.018 1.00 81.00 26 A 1 ATOM 223 C CG . PRO A 0 26 . 15.272 -0.785 -8.471 1.00 81.00 26 A 1 ATOM 224 C CD . PRO A 0 26 . 14.437 -0.572 -9.730 1.00 81.00 26 A 1 ATOM 225 N N . LEU A 0 27 . 12.707 1.020 -7.020 1.00 85.13 27 A 1 ATOM 226 C CA . LEU A 0 27 . 12.132 2.050 -6.146 1.00 85.13 27 A 1 ATOM 227 C C . LEU A 0 27 . 10.602 2.109 -6.278 1.00 85.13 27 A 1 ATOM 228 C CB . LEU A 0 27 . 12.788 3.404 -6.493 1.00 85.13 27 A 1 ATOM 229 O O . LEU A 0 27 . 9.899 2.207 -5.271 1.00 85.13 27 A 1 ATOM 230 C CG . LEU A 0 27 . 14.015 3.724 -5.617 1.00 85.13 27 A 1 ATOM 231 C CD1 . LEU A 0 27 . 15.125 4.405 -6.414 1.00 85.13 27 A 1 ATOM 232 C CD2 . LEU A 0 27 . 13.627 4.675 -4.485 1.00 85.13 27 A 1 ATOM 233 N N . LEU A 0 28 . 10.083 1.990 -7.503 1.00 83.93 28 A 1 ATOM 234 C CA . LEU A 0 28 . 8.645 1.930 -7.765 1.00 83.93 28 A 1 ATOM 235 C C . LEU A 0 28 . 8.017 0.626 -7.244 1.00 83.93 28 A 1 ATOM 236 C CB . LEU A 0 28 . 8.413 2.076 -9.277 1.00 83.93 28 A 1 ATOM 237 O O . LEU A 0 28 . 6.942 0.641 -6.651 1.00 83.93 28 A 1 ATOM 238 C CG . LEU A 0 28 . 6.953 2.447 -9.600 1.00 83.93 28 A 1 ATOM 239 C CD1 . LEU A 0 28 . 6.823 3.957 -9.816 1.00 83.93 28 A 1 ATOM 240 C CD2 . LEU A 0 28 . 6.475 1.726 -10.858 1.00 83.93 28 A 1 ATOM 241 N N . LEU A 0 29 . 8.690 -0.511 -7.436 1.00 86.92 29 A 1 ATOM 242 C CA . LEU A 0 29 . 8.220 -1.798 -6.911 1.00 86.92 29 A 1 ATOM 243 C C . LEU A 0 29 . 8.191 -1.811 -5.376 1.00 86.92 29 A 1 ATOM 244 C CB . LEU A 0 29 . 9.108 -2.930 -7.455 1.00 86.92 29 A 1 ATOM 245 O O . LEU A 0 29 . 7.266 -2.367 -4.785 1.00 86.92 29 A 1 ATOM 246 C CG . LEU A 0 29 . 8.923 -3.217 -8.956 1.00 86.92 29 A 1 ATOM 247 C CD1 . LEU A 0 29 . 9.986 -4.215 -9.417 1.00 86.92 29 A 1 ATOM 248 C CD2 . LEU A 0 29 . 7.545 -3.808 -9.264 1.00 86.92 29 A 1 ATOM 249 N N . LEU A 0 30 . 9.167 -1.168 -4.732 1.00 85.85 30 A 1 ATOM 250 C CA . LEU A 0 30 . 9.226 -1.031 -3.278 1.00 85.85 30 A 1 ATOM 251 C C . LEU A 0 30 . 8.103 -0.131 -2.735 1.00 85.85 30 A 1 ATOM 252 C CB . LEU A 0 30 . 10.618 -0.497 -2.897 1.00 85.85 30 A 1 ATOM 253 O O . LEU A 0 30 . 7.498 -0.445 -1.714 1.00 85.85 30 A 1 ATOM 254 C CG . LEU A 0 30 . 10.877 -0.455 -1.380 1.00 85.85 30 A 1 ATOM 255 C CD1 . LEU A 0 30 . 10.962 -1.859 -0.778 1.00 85.85 30 A 1 ATOM 256 C CD2 . LEU A 0 30 . 12.197 0.267 -1.109 1.00 85.85 30 A 1 ATOM 257 N N . SER A 0 31 . 7.783 0.977 -3.407 1.00 87.74 31 A 1 ATOM 258 C CA . SER A 0 31 . 6.670 1.832 -2.974 1.00 87.74 31 A 1 ATOM 259 C C . SER A 0 31 . 5.312 1.152 -3.172 1.00 87.74 31 A 1 ATOM 260 C CB . SER A 0 31 . 6.729 3.192 -3.669 1.00 87.74 31 A 1 ATOM 261 O O . SER A 0 31 . 4.452 1.239 -2.292 1.00 87.74 31 A 1 ATOM 262 O OG . SER A 0 31 . 6.531 3.071 -5.059 1.00 87.74 31 A 1 ATOM 263 N N . LEU A 0 32 . 5.139 0.406 -4.269 1.00 86.68 32 A 1 ATOM 264 C CA . LEU A 0 32 . 3.952 -0.418 -4.503 1.00 86.68 32 A 1 ATOM 265 C C . LEU A 0 32 . 3.794 -1.498 -3.428 1.00 86.68 32 A 1 ATOM 266 C CB . LEU A 0 32 . 4.027 -1.051 -5.904 1.00 86.68 32 A 1 ATOM 267 O O . LEU A 0 32 . 2.697 -1.663 -2.897 1.00 86.68 32 A 1 ATOM 268 C CG . LEU A 0 32 . 3.647 -0.084 -7.039 1.00 86.68 32 A 1 ATOM 269 C CD1 . LEU A 0 32 . 4.103 -0.656 -8.382 1.00 86.68 32 A 1 ATOM 270 C CD2 . LEU A 0 32 . 2.131 0.130 -7.105 1.00 86.68 32 A 1 ATOM 271 N N . SER A 0 33 . 4.866 -2.203 -3.057 1.00 88.59 33 A 1 ATOM 272 C CA . SER A 0 33 . 4.795 -3.238 -2.018 1.00 88.59 33 A 1 ATOM 273 C C . SER A 0 33 . 4.417 -2.657 -0.651 1.00 88.59 33 A 1 ATOM 274 C CB . SER A 0 33 . 6.099 -4.037 -1.947 1.00 88.59 33 A 1 ATOM 275 O O . SER A 0 33 . 3.589 -3.242 0.050 1.00 88.59 33 A 1 ATOM 276 O OG . SER A 0 33 . 7.141 -3.276 -1.382 1.00 88.59 33 A 1 ATOM 277 N N . HIS A 0 34 . 4.931 -1.472 -0.299 1.00 89.72 34 A 1 ATOM 278 C CA . HIS A 0 34 . 4.513 -0.754 0.908 1.00 89.72 34 A 1 ATOM 279 C C . HIS A 0 34 . 3.039 -0.341 0.855 1.00 89.72 34 A 1 ATOM 280 C CB . HIS A 0 34 . 5.397 0.480 1.120 1.00 89.72 34 A 1 ATOM 281 O O . HIS A 0 34 . 2.331 -0.494 1.850 1.00 89.72 34 A 1 ATOM 282 C CG . HIS A 0 34 . 6.820 0.190 1.525 1.00 89.72 34 A 1 ATOM 283 C CD2 . HIS A 0 34 . 7.381 -1.022 1.838 1.00 89.72 34 A 1 ATOM 284 N ND1 . HIS A 0 34 . 7.805 1.138 1.677 1.00 89.72 34 A 1 ATOM 285 C CE1 . HIS A 0 34 . 8.927 0.515 2.073 1.00 89.72 34 A 1 ATOM 286 N NE2 . HIS A 0 34 . 8.715 -0.801 2.197 1.00 89.72 34 A 1 ATOM 287 N N . PHE A 0 35 . 2.558 0.132 -0.297 1.00 88.92 35 A 1 ATOM 288 C CA . PHE A 0 35 . 1.153 0.491 -0.480 1.00 88.92 35 A 1 ATOM 289 C C . PHE A 0 35 . 0.223 -0.722 -0.310 1.00 88.92 35 A 1 ATOM 290 C CB . PHE A 0 35 . 0.981 1.161 -1.849 1.00 88.92 35 A 1 ATOM 291 O O . PHE A 0 35 . -0.758 -0.645 0.431 1.00 88.92 35 A 1 ATOM 292 C CG . PHE A 0 35 . -0.402 1.741 -2.054 1.00 88.92 35 A 1 ATOM 293 C CD1 . PHE A 0 35 . -1.391 1.002 -2.729 1.00 88.92 35 A 1 ATOM 294 C CD2 . PHE A 0 35 . -0.708 3.015 -1.538 1.00 88.92 35 A 1 ATOM 295 C CE1 . PHE A 0 35 . -2.680 1.537 -2.891 1.00 88.92 35 A 1 ATOM 296 C CE2 . PHE A 0 35 . -1.997 3.550 -1.703 1.00 88.92 35 A 1 ATOM 297 C CZ . PHE A 0 35 . -2.983 2.812 -2.380 1.00 88.92 35 A 1 ATOM 298 N N . TYR A 0 36 . 0.565 -1.868 -0.910 1.00 89.16 36 A 1 ATOM 299 C CA . TYR A 0 36 . -0.182 -3.118 -0.728 1.00 89.16 36 A 1 ATOM 300 C C . TYR A 0 36 . -0.150 -3.613 0.722 1.00 89.16 36 A 1 ATOM 301 C CB . TYR A 0 36 . 0.361 -4.205 -1.668 1.00 89.16 36 A 1 ATOM 302 O O . TYR A 0 36 . -1.181 -4.033 1.247 1.00 89.16 36 A 1 ATOM 303 C CG . TYR A 0 36 . -0.129 -4.088 -3.097 1.00 89.16 36 A 1 ATOM 304 C CD1 . TYR A 0 36 . -1.491 -4.306 -3.381 1.00 89.16 36 A 1 ATOM 305 C CD2 . TYR A 0 36 . 0.764 -3.787 -4.142 1.00 89.16 36 A 1 ATOM 306 C CE1 . TYR A 0 36 . -1.965 -4.199 -4.703 1.00 89.16 36 A 1 ATOM 307 C CE2 . TYR A 0 36 . 0.295 -3.666 -5.463 1.00 89.16 36 A 1 ATOM 308 O OH . TYR A 0 36 . -1.518 -3.766 -7.022 1.00 89.16 36 A 1 ATOM 309 C CZ . TYR A 0 36 . -1.070 -3.872 -5.745 1.00 89.16 36 A 1 ATOM 310 N N . CYS A 0 37 . 1.004 -3.529 1.390 1.00 90.41 37 A 1 ATOM 311 C CA . CYS A 0 37 . 1.140 -3.911 2.796 1.00 90.41 37 A 1 ATOM 312 C C . CYS A 0 37 . 0.266 -3.036 3.706 1.00 90.41 37 A 1 ATOM 313 C CB . CYS A 0 37 . 2.624 -3.824 3.172 1.00 90.41 37 A 1 ATOM 314 O O . CYS A 0 37 . -0.449 -3.551 4.566 1.00 90.41 37 A 1 ATOM 315 S SG . CYS A 0 37 . 2.878 -4.493 4.841 1.00 90.41 37 A 1 ATOM 316 N N . TYR A 0 38 . 0.261 -1.720 3.476 1.00 90.98 38 A 1 ATOM 317 C CA . TYR A 0 38 . -0.581 -0.788 4.223 1.00 90.98 38 A 1 ATOM 318 C C . TYR A 0 38 . -2.073 -1.083 4.029 1.00 90.98 38 A 1 ATOM 319 C CB . TYR A 0 38 . -0.246 0.646 3.800 1.00 90.98 38 A 1 ATOM 320 O O . TYR A 0 38 . -2.822 -1.132 5.005 1.00 90.98 38 A 1 ATOM 321 C CG . TYR A 0 38 . -1.002 1.682 4.604 1.00 90.98 38 A 1 ATOM 322 C CD1 . TYR A 0 38 . -2.209 2.220 4.115 1.00 90.98 38 A 1 ATOM 323 C CD2 . TYR A 0 38 . -0.518 2.069 5.868 1.00 90.98 38 A 1 ATOM 324 C CE1 . TYR A 0 38 . -2.929 3.150 4.890 1.00 90.98 38 A 1 ATOM 325 C CE2 . TYR A 0 38 . -1.233 3.000 6.644 1.00 90.98 38 A 1 ATOM 326 O OH . TYR A 0 38 . -3.134 4.441 6.899 1.00 90.98 38 A 1 ATOM 327 C CZ . TYR A 0 38 . -2.441 3.541 6.154 1.00 90.98 38 A 1 ATOM 328 N N . TYR A 0 39 . -2.499 -1.337 2.788 1.00 90.51 39 A 1 ATOM 329 C CA . TYR A 0 39 . -3.887 -1.686 2.488 1.00 90.51 39 A 1 ATOM 330 C C . TYR A 0 39 . -4.309 -2.995 3.171 1.00 90.51 39 A 1 ATOM 331 C CB . TYR A 0 39 . -4.070 -1.769 0.969 1.00 90.51 39 A 1 ATOM 332 O O . TYR A 0 39 . -5.373 -3.061 3.783 1.00 90.51 39 A 1 ATOM 333 C CG . TYR A 0 39 . -5.525 -1.846 0.558 1.00 90.51 39 A 1 ATOM 334 C CD1 . TYR A 0 39 . -6.143 -3.091 0.330 1.00 90.51 39 A 1 ATOM 335 C CD2 . TYR A 0 39 . -6.273 -0.658 0.445 1.00 90.51 39 A 1 ATOM 336 C CE1 . TYR A 0 39 . -7.505 -3.147 -0.023 1.00 90.51 39 A 1 ATOM 337 C CE2 . TYR A 0 39 . -7.635 -0.710 0.096 1.00 90.51 39 A 1 ATOM 338 O OH . TYR A 0 39 . -9.564 -2.012 -0.489 1.00 90.51 39 A 1 ATOM 339 C CZ . TYR A 0 39 . -8.252 -1.957 -0.142 1.00 90.51 39 A 1 ATOM 340 N N . TYR A 0 40 . -3.447 -4.013 3.138 1.00 91.66 40 A 1 ATOM 341 C CA . TYR A 0 40 . -3.701 -5.289 3.804 1.00 91.66 40 A 1 ATOM 342 C C . TYR A 0 40 . -3.790 -5.146 5.330 1.00 91.66 40 A 1 ATOM 343 C CB . TYR A 0 40 . -2.597 -6.271 3.405 1.00 91.66 40 A 1 ATOM 344 O O . TYR A 0 40 . -4.674 -5.720 5.965 1.00 91.66 40 A 1 ATOM 345 C CG . TYR A 0 40 . -2.839 -7.672 3.919 1.00 91.66 40 A 1 ATOM 346 C CD1 . TYR A 0 40 . -2.111 -8.163 5.020 1.00 91.66 40 A 1 ATOM 347 C CD2 . TYR A 0 40 . -3.816 -8.476 3.303 1.00 91.66 40 A 1 ATOM 348 C CE1 . TYR A 0 40 . -2.349 -9.467 5.492 1.00 91.66 40 A 1 ATOM 349 C CE2 . TYR A 0 40 . -4.072 -9.771 3.787 1.00 91.66 40 A 1 ATOM 350 O OH . TYR A 0 40 . -3.594 -11.518 5.355 1.00 91.66 40 A 1 ATOM 351 C CZ . TYR A 0 40 . -3.343 -10.267 4.885 1.00 91.66 40 A 1 ATOM 352 N N . TYR A 0 41 . -2.911 -4.340 5.932 1.00 89.18 41 A 1 ATOM 353 C CA . TYR A 0 41 . -2.967 -4.055 7.365 1.00 89.18 41 A 1 ATOM 354 C C . TYR A 0 41 . -4.261 -3.327 7.755 1.00 89.18 41 A 1 ATOM 355 C CB . TYR A 0 41 . -1.735 -3.239 7.768 1.00 89.18 41 A 1 ATOM 356 O O . TYR A 0 41 . -4.867 -3.643 8.781 1.00 89.18 41 A 1 ATOM 357 C CG . TYR A 0 41 . -1.622 -3.053 9.267 1.00 89.18 41 A 1 ATOM 358 C CD1 . TYR A 0 41 . -2.107 -1.881 9.880 1.00 89.18 41 A 1 ATOM 359 C CD2 . TYR A 0 41 . -1.063 -4.080 10.051 1.00 89.18 41 A 1 ATOM 360 C CE1 . TYR A 0 41 . -2.029 -1.733 11.278 1.00 89.18 41 A 1 ATOM 361 C CE2 . TYR A 0 41 . -0.983 -3.935 11.449 1.00 89.18 41 A 1 ATOM 362 O OH . TYR A 0 41 . -1.387 -2.626 13.413 1.00 89.18 41 A 1 ATOM 363 C CZ . TYR A 0 41 . -1.466 -2.763 12.063 1.00 89.18 41 A 1 ATOM 364 N N . PHE A 0 42 . -4.708 -2.380 6.926 1.00 89.12 42 A 1 ATOM 365 C CA . PHE A 0 42 . -5.970 -1.676 7.133 1.00 89.12 42 A 1 ATOM 366 C C . PHE A 0 42 . -7.179 -2.623 7.069 1.00 89.12 42 A 1 ATOM 367 C CB . PHE A 0 42 . -6.083 -0.538 6.112 1.00 89.12 42 A 1 ATOM 368 O O . PHE A 0 42 . -8.048 -2.551 7.939 1.00 89.12 42 A 1 ATOM 369 C CG . PHE A 0 42 . -7.323 0.309 6.306 1.00 89.12 42 A 1 ATOM 370 C CD1 . PHE A 0 42 . -8.475 0.065 5.536 1.00 89.12 42 A 1 ATOM 371 C CD2 . PHE A 0 42 . -7.335 1.316 7.289 1.00 89.12 42 A 1 ATOM 372 C CE1 . PHE A 0 42 . -9.635 0.833 5.744 1.00 89.12 42 A 1 ATOM 373 C CE2 . PHE A 0 42 . -8.495 2.083 7.497 1.00 89.12 42 A 1 ATOM 374 C CZ . PHE A 0 42 . -9.644 1.843 6.723 1.00 89.12 42 A 1 ATOM 375 N N . ASP A 0 43 . -7.208 -3.544 6.103 1.00 89.56 43 A 1 ATOM 376 C CA . ASP A 0 43 . -8.282 -4.537 5.968 1.00 89.56 43 A 1 ATOM 377 C C . ASP A 0 43 . -8.344 -5.485 7.180 1.00 89.56 43 A 1 ATOM 378 C CB . ASP A 0 43 . -8.089 -5.304 4.651 1.00 89.56 43 A 1 ATOM 379 O O . ASP A 0 43 . -9.399 -5.666 7.793 1.00 89.56 43 A 1 ATOM 380 C CG . ASP A 0 43 . -9.294 -6.185 4.307 1.00 89.56 43 A 1 ATOM 381 O OD1 . ASP A 0 43 . -10.435 -5.717 4.523 1.00 89.56 43 A 1 ATOM 382 O OD2 . ASP A 0 43 . -9.063 -7.309 3.812 1.00 89.56 43 A 1 ATOM 383 N N . LEU A 0 44 . -7.192 -6.000 7.629 1.00 90.11 44 A 1 ATOM 384 C CA . LEU A 0 44 . -7.112 -6.816 8.846 1.00 90.11 44 A 1 ATOM 385 C C . LEU A 0 44 . -7.582 -6.061 10.094 1.00 90.11 44 A 1 ATOM 386 C CB . LEU A 0 44 . -5.668 -7.291 9.060 1.00 90.11 44 A 1 ATOM 387 O O . LEU A 0 44 . -8.298 -6.624 10.928 1.00 90.11 44 A 1 ATOM 388 C CG . LEU A 0 44 . -5.191 -8.400 8.111 1.00 90.11 44 A 1 ATOM 389 C CD1 . LEU A 0 44 . -3.742 -8.726 8.477 1.00 90.11 44 A 1 ATOM 390 C CD2 . LEU A 0 44 . -6.013 -9.685 8.249 1.00 90.11 44 A 1 ATOM 391 N N . PHE A 0 45 . -7.199 -4.790 10.229 1.00 91.04 45 A 1 ATOM 392 C CA . PHE A 0 45 . -7.654 -3.954 11.335 1.00 91.04 45 A 1 ATOM 393 C C . PHE A 0 45 . -9.177 -3.773 11.300 1.00 91.04 45 A 1 ATOM 394 C CB . PHE A 0 45 . -6.921 -2.608 11.298 1.00 91.04 45 A 1 ATOM 395 O O . PHE A 0 45 . -9.843 -3.937 12.324 1.00 91.04 45 A 1 ATOM 396 C CG . PHE A 0 45 . -7.313 -1.692 12.439 1.00 91.04 45 A 1 ATOM 397 C CD1 . PHE A 0 45 . -8.241 -0.654 12.231 1.00 91.04 45 A 1 ATOM 398 C CD2 . PHE A 0 45 . -6.773 -1.902 13.721 1.00 91.04 45 A 1 ATOM 399 C CE1 . PHE A 0 45 . -8.620 0.175 13.301 1.00 91.04 45 A 1 ATOM 400 C CE2 . PHE A 0 45 . -7.152 -1.072 14.791 1.00 91.04 45 A 1 ATOM 401 C CZ . PHE A 0 45 . -8.075 -0.032 14.580 1.00 91.04 45 A 1 ATOM 402 N N . PHE A 0 46 . -9.750 -3.507 10.126 1.00 90.17 46 A 1 ATOM 403 C CA . PHE A 0 46 . -11.194 -3.362 9.961 1.00 90.17 46 A 1 ATOM 404 C C . PHE A 0 46 . -11.954 -4.657 10.293 1.00 90.17 46 A 1 ATOM 405 C CB . PHE A 0 46 . -11.482 -2.879 8.537 1.00 90.17 46 A 1 ATOM 406 O O . PHE A 0 46 . -12.923 -4.623 11.059 1.00 90.17 46 A 1 ATOM 407 C CG . PHE A 0 46 . -12.943 -2.554 8.320 1.00 90.17 46 A 1 ATOM 408 C CD1 . PHE A 0 46 . -13.788 -3.479 7.681 1.00 90.17 46 A 1 ATOM 409 C CD2 . PHE A 0 46 . -13.464 -1.333 8.786 1.00 90.17 46 A 1 ATOM 410 C CE1 . PHE A 0 46 . -15.151 -3.183 7.508 1.00 90.17 46 A 1 ATOM 411 C CE2 . PHE A 0 46 . -14.827 -1.035 8.611 1.00 90.17 46 A 1 ATOM 412 C CZ . PHE A 0 46 . -15.671 -1.961 7.972 1.00 90.17 46 A 1 ATOM 413 N N . LEU A 0 47 . -11.476 -5.810 9.810 1.00 91.03 47 A 1 ATOM 414 C CA . LEU A 0 47 . -12.025 -7.129 10.150 1.00 91.03 47 A 1 ATOM 415 C C . LEU A 0 47 . -11.981 -7.400 11.659 1.00 91.03 47 A 1 ATOM 416 C CB . LEU A 0 47 . -11.236 -8.217 9.397 1.00 91.03 47 A 1 ATOM 417 O O . LEU A 0 47 . -12.943 -7.923 12.228 1.00 91.03 47 A 1 ATOM 418 C CG . LEU A 0 47 . -11.531 -8.300 7.889 1.00 91.03 47 A 1 ATOM 419 C CD1 . LEU A 0 47 . -10.539 -9.261 7.235 1.00 91.03 47 A 1 ATOM 420 C CD2 . LEU A 0 47 . -12.948 -8.819 7.621 1.00 91.03 47 A 1 ATOM 421 N N . PHE A 0 48 . -10.899 -7.005 12.332 1.00 92.28 48 A 1 ATOM 422 C CA . PHE A 0 48 . -10.775 -7.149 13.781 1.00 92.28 48 A 1 ATOM 423 C C . PHE A 0 48 . -11.792 -6.287 14.545 1.00 92.28 48 A 1 ATOM 424 C CB . PHE A 0 48 . -9.338 -6.822 14.192 1.00 92.28 48 A 1 ATOM 425 O O . PHE A 0 48 . -12.425 -6.763 15.492 1.00 92.28 48 A 1 ATOM 426 C CG . PHE A 0 48 . -9.079 -7.042 15.665 1.00 92.28 48 A 1 ATOM 427 C CD1 . PHE A 0 48 . -8.963 -5.946 16.538 1.00 92.28 48 A 1 ATOM 428 C CD2 . PHE A 0 48 . -8.952 -8.353 16.161 1.00 92.28 48 A 1 ATOM 429 C CE1 . PHE A 0 48 . -8.690 -6.162 17.899 1.00 92.28 48 A 1 ATOM 430 C CE2 . PHE A 0 48 . -8.703 -8.569 17.527 1.00 92.28 48 A 1 ATOM 431 C CZ . PHE A 0 48 . -8.570 -7.472 18.396 1.00 92.28 48 A 1 ATOM 432 N N . ILE A 0 49 . -12.015 -5.042 14.116 1.00 90.05 49 A 1 ATOM 433 C CA . ILE A 0 49 . -13.047 -4.174 14.703 1.00 90.05 49 A 1 ATOM 434 C C . ILE A 0 49 . -14.449 -4.756 14.478 1.00 90.05 49 A 1 ATOM 435 C CB . ILE A 0 49 . -12.918 -2.734 14.157 1.00 90.05 49 A 1 ATOM 436 O O . ILE A 0 49 . -15.246 -4.802 15.421 1.00 90.05 49 A 1 ATOM 437 C CG1 . ILE A 0 49 . -11.581 -2.063 14.552 1.00 90.05 49 A 1 ATOM 438 C CG2 . ILE A 0 49 . -14.093 -1.851 14.618 1.00 90.05 49 A 1 ATOM 439 C CD1 . ILE A 0 49 . -11.316 -1.916 16.056 1.00 90.05 49 A 1 ATOM 440 N N . LEU A 0 50 . -14.741 -5.265 13.276 1.00 88.37 50 A 1 ATOM 441 C CA . LEU A 0 50 . -16.007 -5.938 12.964 1.00 88.37 50 A 1 ATOM 442 C C . LEU A 0 50 . -16.228 -7.164 13.864 1.00 88.37 50 A 1 ATOM 443 C CB . LEU A 0 50 . -15.998 -6.345 11.479 1.00 88.37 50 A 1 ATOM 444 O O . LEU A 0 50 . -17.334 -7.386 14.359 1.00 88.37 50 A 1 ATOM 445 C CG . LEU A 0 50 . -17.387 -6.764 10.961 1.00 88.37 50 A 1 ATOM 446 C CD1 . LEU A 0 50 . -18.233 -5.538 10.611 1.00 88.37 50 A 1 ATOM 447 C CD2 . LEU A 0 50 . -17.252 -7.633 9.714 1.00 88.37 50 A 1 ATOM 448 N N . PHE A 0 51 . -15.169 -7.928 14.129 1.00 89.22 51 A 1 ATOM 449 C CA . PHE A 0 51 . -15.203 -9.073 15.034 1.00 89.22 51 A 1 ATOM 450 C C . PHE A 0 51 . -15.476 -8.675 16.494 1.00 89.22 51 A 1 ATOM 451 C CB . PHE A 0 51 . -13.880 -9.829 14.905 1.00 89.22 51 A 1 ATOM 452 O O . PHE A 0 51 . -16.250 -9.333 17.191 1.00 89.22 51 A 1 ATOM 453 C CG . PHE A 0 51 . -13.817 -11.067 15.766 1.00 89.22 51 A 1 ATOM 454 C CD1 . PHE A 0 51 . -13.133 -11.044 16.996 1.00 89.22 51 A 1 ATOM 455 C CD2 . PHE A 0 51 . -14.430 -12.251 15.321 1.00 89.22 51 A 1 ATOM 456 C CE1 . PHE A 0 51 . -13.012 -12.223 17.749 1.00 89.22 51 A 1 ATOM 457 C CE2 . PHE A 0 51 . -14.320 -13.426 16.078 1.00 89.22 51 A 1 ATOM 458 C CZ . PHE A 0 51 . -13.586 -13.418 17.275 1.00 89.22 51 A 1 ATOM 459 N N . ILE A 0 52 . -14.884 -7.581 16.980 1.00 86.20 52 A 1 ATOM 460 C CA . ILE A 0 52 . -15.198 -7.059 18.320 1.00 86.20 52 A 1 ATOM 461 C C . ILE A 0 52 . -16.654 -6.586 18.385 1.00 86.20 52 A 1 ATOM 462 C CB . ILE A 0 52 . -14.217 -5.940 18.731 1.00 86.20 52 A 1 ATOM 463 O O . ILE A 0 52 . -17.343 -6.868 19.368 1.00 86.20 52 A 1 ATOM 464 C CG1 . ILE A 0 52 . -12.816 -6.545 18.955 1.00 86.20 52 A 1 ATOM 465 C CG2 . ILE A 0 52 . -14.700 -5.234 20.021 1.00 86.20 52 A 1 ATOM 466 C CD1 . ILE A 0 52 . -11.716 -5.501 19.169 1.00 86.20 52 A 1 ATOM 467 N N . LEU A 0 53 . -17.131 -5.881 17.356 1.00 85.43 53 A 1 ATOM 468 C CA . LEU A 0 53 . -18.518 -5.420 17.274 1.00 85.43 53 A 1 ATOM 469 C C . LEU A 0 53 . -19.499 -6.595 17.276 1.00 85.43 53 A 1 ATOM 470 C CB . LEU A 0 53 . -18.696 -4.544 16.022 1.00 85.43 53 A 1 ATOM 471 O O . LEU A 0 53 . -20.448 -6.582 18.059 1.00 85.43 53 A 1 ATOM 472 C CG . LEU A 0 53 . -18.187 -3.105 16.208 1.00 85.43 53 A 1 ATOM 473 C CD1 . LEU A 0 53 . -17.983 -2.440 14.849 1.00 85.43 53 A 1 ATOM 474 C CD2 . LEU A 0 53 . -19.189 -2.261 17.005 1.00 85.43 53 A 1 ATOM 475 N N . SER A 0 54 . -19.247 -7.644 16.489 1.00 80.03 54 A 1 ATOM 476 C CA . SER A 0 54 . -20.102 -8.836 16.472 1.00 80.03 54 A 1 ATOM 477 C C . SER A 0 54 . -20.114 -9.550 17.827 1.00 80.03 54 A 1 ATOM 478 C CB . SER A 0 54 . -19.695 -9.779 15.337 1.00 80.03 54 A 1 ATOM 479 O O . SER A 0 54 . -21.185 -9.929 18.308 1.00 80.03 54 A 1 ATOM 480 O OG . SER A 0 54 . -18.435 -10.366 15.574 1.00 80.03 54 A 1 ATOM 481 N N . ARG A 0 55 . -18.964 -9.637 18.514 1.00 78.48 55 A 1 ATOM 482 C CA . ARG A 0 55 . -18.895 -10.160 19.888 1.00 78.48 55 A 1 ATOM 483 C C . ARG A 0 55 . -19.680 -9.311 20.881 1.00 78.48 55 A 1 ATOM 484 C CB . ARG A 0 55 . -17.444 -10.313 20.354 1.00 78.48 55 A 1 ATOM 485 O O . ARG A 0 55 . -20.424 -9.872 21.686 1.00 78.48 55 A 1 ATOM 486 C CG . ARG A 0 55 . -16.815 -11.584 19.777 1.00 78.48 55 A 1 ATOM 487 C CD . ARG A 0 55 . -15.478 -11.859 20.467 1.00 78.48 55 A 1 ATOM 488 N NE . ARG A 0 55 . -14.967 -13.191 20.107 1.00 78.48 55 A 1 ATOM 489 N NH1 . ARG A 0 55 . -13.385 -13.380 21.759 1.00 78.48 55 A 1 ATOM 490 N NH2 . ARG A 0 55 . -13.659 -15.046 20.306 1.00 78.48 55 A 1 ATOM 491 C CZ . ARG A 0 55 . -14.012 -13.863 20.723 1.00 78.48 55 A 1 ATOM 492 N N . ARG A 0 56 . -19.565 -7.980 20.820 1.00 72.86 56 A 1 ATOM 493 C CA . ARG A 0 56 . -20.369 -7.078 21.662 1.00 72.86 56 A 1 ATOM 494 C C . ARG A 0 56 . -21.858 -7.301 21.427 1.00 72.86 56 A 1 ATOM 495 C CB . ARG A 0 56 . -19.990 -5.609 21.437 1.00 72.86 56 A 1 ATOM 496 O O . ARG A 0 56 . -22.570 -7.476 22.405 1.00 72.86 56 A 1 ATOM 497 C CG . ARG A 0 56 . -18.664 -5.257 22.124 1.00 72.86 56 A 1 ATOM 498 C CD . ARG A 0 56 . -18.359 -3.771 21.918 1.00 72.86 56 A 1 ATOM 499 N NE . ARG A 0 56 . -17.125 -3.367 22.618 1.00 72.86 56 A 1 ATOM 500 N NH1 . ARG A 0 56 . -17.357 -1.100 22.327 1.00 72.86 56 A 1 ATOM 501 N NH2 . ARG A 0 56 . -15.585 -1.895 23.423 1.00 72.86 56 A 1 ATOM 502 C CZ . ARG A 0 56 . -16.697 -2.129 22.785 1.00 72.86 56 A 1 ATOM 503 N N . CYS A 0 57 . -22.304 -7.414 20.176 1.00 67.51 57 A 1 ATOM 504 C CA . CYS A 0 57 . -23.698 -7.730 19.865 1.00 67.51 57 A 1 ATOM 505 C C . CYS A 0 57 . -24.132 -9.074 20.470 1.00 67.51 57 A 1 ATOM 506 C CB . CYS A 0 57 . -23.906 -7.704 18.346 1.00 67.51 57 A 1 ATOM 507 O O . CYS A 0 57 . -25.166 -9.124 21.128 1.00 67.51 57 A 1 ATOM 508 S SG . CYS A 0 57 . -23.680 -6.012 17.727 1.00 67.51 57 A 1 ATOM 509 N N . THR A 0 58 . -23.338 -10.147 20.339 1.00 68.06 58 A 1 ATOM 510 C CA . THR A 0 58 . -23.681 -11.441 20.968 1.00 68.06 58 A 1 ATOM 511 C C . THR A 0 58 . -23.751 -11.363 22.496 1.00 68.06 58 A 1 ATOM 512 C CB . THR A 0 58 . -22.734 -12.581 20.565 1.00 68.06 58 A 1 ATOM 513 O O . THR A 0 58 . -24.655 -11.945 23.095 1.00 68.06 58 A 1 ATOM 514 C CG2 . THR A 0 58 . -22.848 -12.939 19.085 1.00 68.06 58 A 1 ATOM 515 O OG1 . THR A 0 58 . -21.379 -12.294 20.834 1.00 68.06 58 A 1 ATOM 516 N N . ALA A 0 59 . -22.856 -10.604 23.138 1.00 58.87 59 A 1 ATOM 517 C CA . ALA A 0 59 . -22.889 -10.391 24.582 1.00 58.87 59 A 1 ATOM 518 C C . ALA A 0 59 . -24.112 -9.563 25.011 1.00 58.87 59 A 1 ATOM 519 C CB . ALA A 0 59 . -21.573 -9.733 25.015 1.00 58.87 59 A 1 ATOM 520 O O . ALA A 0 59 . -24.773 -9.910 25.988 1.00 58.87 59 A 1 ATOM 521 N N . THR A 0 60 . -24.461 -8.509 24.264 1.00 64.95 60 A 1 ATOM 522 C CA . THR A 0 60 . -25.667 -7.710 24.515 1.00 64.95 60 A 1 ATOM 523 C C . THR A 0 60 . -26.934 -8.547 24.338 1.00 64.95 60 A 1 ATOM 524 C CB . THR A 0 60 . -25.721 -6.462 23.618 1.00 64.95 60 A 1 ATOM 525 O O . THR A 0 60 . -27.807 -8.470 25.196 1.00 64.95 60 A 1 ATOM 526 C CG2 . THR A 0 60 . -26.819 -5.490 24.047 1.00 64.95 60 A 1 ATOM 527 O OG1 . THR A 0 60 . -24.524 -5.728 23.715 1.00 64.95 60 A 1 ATOM 528 N N . CYS A 0 61 . -27.014 -9.395 23.307 1.00 60.31 61 A 1 ATOM 529 C CA . CYS A 0 61 . -28.149 -10.301 23.097 1.00 60.31 61 A 1 ATOM 530 C C . CYS A 0 61 . -28.272 -11.367 24.198 1.00 60.31 61 A 1 ATOM 531 C CB . CYS A 0 61 . -28.030 -10.969 21.722 1.00 60.31 61 A 1 ATOM 532 O O . CYS A 0 61 . -29.378 -11.689 24.619 1.00 60.31 61 A 1 ATOM 533 S SG . CYS A 0 61 . -28.220 -9.739 20.399 1.00 60.31 61 A 1 ATOM 534 N N . SER A 0 62 . -27.152 -11.905 24.693 1.00 57.55 62 A 1 ATOM 535 C CA . SER A 0 62 . -27.164 -12.830 25.836 1.00 57.55 62 A 1 ATOM 536 C C . SER A 0 62 . -27.661 -12.138 27.109 1.00 57.55 62 A 1 ATOM 537 C CB . SER A 0 62 . -25.763 -13.402 26.054 1.00 57.55 62 A 1 ATOM 538 O O . SER A 0 62 . -28.504 -12.679 27.824 1.00 57.55 62 A 1 ATOM 539 O OG . SER A 0 62 . -25.784 -14.338 27.111 1.00 57.55 62 A 1 ATOM 540 N N . ASN A 0 63 . -27.211 -10.903 27.358 1.00 55.30 63 A 1 ATOM 541 C CA . ASN A 0 63 . -27.663 -10.122 28.506 1.00 55.30 63 A 1 ATOM 542 C C . ASN A 0 63 . -29.148 -9.754 28.407 1.00 55.30 63 A 1 ATOM 543 C CB . ASN A 0 63 . -26.781 -8.875 28.670 1.00 55.30 63 A 1 ATOM 544 O O . ASN A 0 63 . -29.848 -9.879 29.407 1.00 55.30 63 A 1 ATOM 545 C CG . ASN A 0 63 . -25.425 -9.178 29.280 1.00 55.30 63 A 1 ATOM 546 N ND2 . ASN A 0 63 . -24.514 -8.233 29.230 1.00 55.30 63 A 1 ATOM 547 O OD1 . ASN A 0 63 . -25.158 -10.223 29.843 1.00 55.30 63 A 1 ATOM 548 N N . THR A 0 64 . -29.659 -9.356 27.237 1.00 56.58 64 A 1 ATOM 549 C CA . THR A 0 64 . -31.099 -9.089 27.075 1.00 56.58 64 A 1 ATOM 550 C C . THR A 0 64 . -31.929 -10.364 27.182 1.00 56.58 64 A 1 ATOM 551 C CB . THR A 0 64 . -31.438 -8.369 25.764 1.00 56.58 64 A 1 ATOM 552 O O . THR A 0 64 . -32.991 -10.322 27.798 1.00 56.58 64 A 1 ATOM 553 C CG2 . THR A 0 64 . -30.919 -6.933 25.742 1.00 56.58 64 A 1 ATOM 554 O OG1 . THR A 0 64 . -30.889 -9.034 24.656 1.00 56.58 64 A 1 ATOM 555 N N . PHE A 0 65 . -31.442 -11.508 26.687 1.00 54.98 65 A 1 ATOM 556 C CA . PHE A 0 65 . -32.111 -12.796 26.879 1.00 54.98 65 A 1 ATOM 557 C C . PHE A 0 65 . -32.169 -13.180 28.367 1.00 54.98 65 A 1 ATOM 558 C CB . PHE A 0 65 . -31.443 -13.881 26.027 1.00 54.98 65 A 1 ATOM 559 O O . PHE A 0 65 . -33.256 -13.445 28.878 1.00 54.98 65 A 1 ATOM 560 C CG . PHE A 0 65 . -32.235 -15.175 25.984 1.00 54.98 65 A 1 ATOM 561 C CD1 . PHE A 0 65 . -31.916 -16.237 26.851 1.00 54.98 65 A 1 ATOM 562 C CD2 . PHE A 0 65 . -33.313 -15.306 25.088 1.00 54.98 65 A 1 ATOM 563 C CE1 . PHE A 0 65 . -32.670 -17.425 26.818 1.00 54.98 65 A 1 ATOM 564 C CE2 . PHE A 0 65 . -34.063 -16.494 25.052 1.00 54.98 65 A 1 ATOM 565 C CZ . PHE A 0 65 . -33.741 -17.554 25.917 1.00 54.98 65 A 1 ATOM 566 N N . LEU A 0 66 . -31.048 -13.100 29.097 1.00 50.56 66 A 1 ATOM 567 C CA . LEU A 0 66 . -30.989 -13.326 30.551 1.00 50.56 66 A 1 ATOM 568 C C . LEU A 0 66 . -31.871 -12.351 31.339 1.00 50.56 66 A 1 ATOM 569 C CB . LEU A 0 66 . -29.528 -13.192 31.025 1.00 50.56 66 A 1 ATOM 570 O O . LEU A 0 66 . -32.478 -12.740 32.334 1.00 50.56 66 A 1 ATOM 571 C CG . LEU A 0 66 . -28.710 -14.483 30.862 1.00 50.56 66 A 1 ATOM 572 C CD1 . LEU A 0 66 . -27.215 -14.167 30.895 1.00 50.56 66 A 1 ATOM 573 C CD2 . LEU A 0 66 . -29.010 -15.467 31.999 1.00 50.56 66 A 1 ATOM 574 N N . GLN A 0 67 . -31.964 -11.096 30.903 1.00 53.58 67 A 1 ATOM 575 C CA . GLN A 0 67 . -32.794 -10.089 31.557 1.00 53.58 67 A 1 ATOM 576 C C . GLN A 0 67 . -34.286 -10.299 31.260 1.00 53.58 67 A 1 ATOM 577 C CB . GLN A 0 67 . -32.271 -8.705 31.151 1.00 53.58 67 A 1 ATOM 578 O O . GLN A 0 67 . -35.110 -10.103 32.149 1.00 53.58 67 A 1 ATOM 579 C CG . GLN A 0 67 . -32.631 -7.594 32.141 1.00 53.58 67 A 1 ATOM 580 C CD . GLN A 0 67 . -31.832 -6.319 31.868 1.00 53.58 67 A 1 ATOM 581 N NE2 . GLN A 0 67 . -31.708 -5.436 32.835 1.00 53.58 67 A 1 ATOM 582 O OE1 . GLN A 0 67 . -31.295 -6.081 30.800 1.00 53.58 67 A 1 ATOM 583 N N . SER A 0 68 . -34.634 -10.771 30.058 1.00 59.49 68 A 1 ATOM 584 C CA . SER A 0 68 . -36.006 -11.155 29.695 1.00 59.49 68 A 1 ATOM 585 C C . SER A 0 68 . -36.462 -12.466 30.351 1.00 59.49 68 A 1 ATOM 586 C CB . SER A 0 68 . -36.150 -11.227 28.170 1.00 59.49 68 A 1 ATOM 587 O O . SER A 0 68 . -37.643 -12.629 30.640 1.00 59.49 68 A 1 ATOM 588 O OG . SER A 0 68 . -35.468 -12.331 27.604 1.00 59.49 68 A 1 ATOM 589 N N . HIS A 0 69 . -35.524 -13.375 30.645 1.00 54.97 69 A 1 ATOM 590 C CA . HIS A 0 69 . -35.768 -14.673 31.275 1.00 54.97 69 A 1 ATOM 591 C C . HIS A 0 69 . -35.274 -14.756 32.724 1.00 54.97 69 A 1 ATOM 592 C CB . HIS A 0 69 . -35.195 -15.810 30.411 1.00 54.97 69 A 1 ATOM 593 O O . HIS A 0 69 . -35.053 -15.860 33.215 1.00 54.97 69 A 1 ATOM 594 C CG . HIS A 0 69 . -36.078 -16.195 29.263 1.00 54.97 69 A 1 ATOM 595 C CD2 . HIS A 0 69 . -35.822 -15.998 27.936 1.00 54.97 69 A 1 ATOM 596 N ND1 . HIS A 0 69 . -37.257 -16.900 29.354 1.00 54.97 69 A 1 ATOM 597 C CE1 . HIS A 0 69 . -37.700 -17.125 28.107 1.00 54.97 69 A 1 ATOM 598 N NE2 . HIS A 0 69 . -36.853 -16.604 27.209 1.00 54.97 69 A 1 ATOM 599 N N . ARG A 0 70 . -35.131 -13.644 33.457 1.00 49.14 70 A 1 ATOM 600 C CA . ARG A 0 70 . -35.167 -13.714 34.925 1.00 49.14 70 A 1 ATOM 601 C C . ARG A 0 70 . -36.645 -13.652 35.323 1.00 49.14 70 A 1 ATOM 602 C CB . ARG A 0 70 . -34.270 -12.633 35.562 1.00 49.14 70 A 1 ATOM 603 O O . ARG A 0 70 . -37.150 -12.544 35.504 1.00 49.14 70 A 1 ATOM 604 C CG . ARG A 0 70 . -33.876 -13.023 36.998 1.00 49.14 70 A 1 ATOM 605 C CD . ARG A 0 70 . -33.011 -11.940 37.657 1.00 49.14 70 A 1 ATOM 606 N NE . ARG A 0 70 . -32.358 -12.430 38.891 1.00 49.14 70 A 1 ATOM 607 N NH1 . ARG A 0 70 . -31.734 -10.396 39.752 1.00 49.14 70 A 1 ATOM 608 N NH2 . ARG A 0 70 . -31.149 -12.266 40.818 1.00 49.14 70 A 1 ATOM 609 C CZ . ARG A 0 70 . -31.752 -11.699 39.810 1.00 49.14 70 A 1 ATOM 610 N N . PRO A 0 71 . -37.377 -14.788 35.397 1.00 49.52 71 A 1 ATOM 611 C CA . PRO A 0 71 . -38.725 -14.771 35.920 1.00 49.52 71 A 1 ATOM 612 C C . PRO A 0 71 . -38.639 -14.225 37.340 1.00 49.52 71 A 1 ATOM 613 C CB . PRO A 0 71 . -39.246 -16.210 35.854 1.00 49.52 71 A 1 ATOM 614 O O . PRO A 0 71 . -37.909 -14.727 38.197 1.00 49.52 71 A 1 ATOM 615 C CG . PRO A 0 71 . -37.973 -17.038 35.972 1.00 49.52 71 A 1 ATOM 616 C CD . PRO A 0 71 . -36.981 -16.178 35.203 1.00 49.52 71 A 1 ATOM 617 N N . ILE A 0 72 . -39.370 -13.141 37.539 1.00 52.18 72 A 1 ATOM 618 C CA . ILE A 0 72 . -39.731 -12.575 38.823 1.00 52.18 72 A 1 ATOM 619 C C . ILE A 0 72 . -40.583 -13.646 39.517 1.00 52.18 72 A 1 ATOM 620 C CB . ILE A 0 72 . -40.480 -11.243 38.550 1.00 52.18 72 A 1 ATOM 621 O O . ILE A 0 72 . -41.804 -13.629 39.441 1.00 52.18 72 A 1 ATOM 622 C CG1 . ILE A 0 72 . -39.567 -10.227 37.815 1.00 52.18 72 A 1 ATOM 623 C CG2 . ILE A 0 72 . -41.018 -10.599 39.837 1.00 52.18 72 A 1 ATOM 624 C CD1 . ILE A 0 72 . -40.339 -9.079 37.154 1.00 52.18 72 A 1 ATOM 625 N N . ILE A 0 73 . -39.940 -14.639 40.131 1.00 47.82 73 A 1 ATOM 626 C CA . ILE A 0 73 . -40.563 -15.466 41.168 1.00 47.82 73 A 1 ATOM 627 C C . ILE A 0 73 . -40.165 -14.814 42.491 1.00 47.82 73 A 1 ATOM 628 C CB . ILE A 0 73 . -40.245 -16.974 41.044 1.00 47.82 73 A 1 ATOM 629 O O . ILE A 0 73 . -39.311 -15.287 43.234 1.00 47.82 73 A 1 ATOM 630 C CG1 . ILE A 0 73 . -40.521 -17.483 39.609 1.00 47.82 73 A 1 ATOM 631 C CG2 . ILE A 0 73 . -41.107 -17.746 42.062 1.00 47.82 73 A 1 ATOM 632 C CD1 . ILE A 0 73 . -40.189 -18.964 39.379 1.00 47.82 73 A 1 ATOM 633 N N . THR A 0 74 . -40.730 -13.630 42.703 1.00 41.67 74 A 1 ATOM 634 C CA . THR A 0 74 . -40.897 -13.003 44.012 1.00 41.67 74 A 1 ATOM 635 C C . THR A 0 74 . -42.394 -12.930 44.253 1.00 41.67 74 A 1 ATOM 636 C CB . THR A 0 74 . -40.280 -11.595 44.107 1.00 41.67 74 A 1 ATOM 637 O O . THR A 0 74 . -43.023 -11.939 43.882 1.00 41.67 74 A 1 ATOM 638 C CG2 . THR A 0 74 . -38.768 -11.618 44.292 1.00 41.67 74 A 1 ATOM 639 O OG1 . THR A 0 74 . -40.562 -10.838 42.956 1.00 41.67 74 A 1 ATOM 640 N N . LEU A 0 75 . -42.952 -14.013 44.789 1.00 46.48 75 A 1 ATOM 641 C CA . LEU A 0 75 . -44.134 -14.032 45.650 1.00 46.48 75 A 1 ATOM 642 C C . LEU A 0 75 . -44.254 -15.414 46.288 1.00 46.48 75 A 1 ATOM 643 C CB . LEU A 0 75 . -45.402 -13.582 44.887 1.00 46.48 75 A 1 ATOM 644 O O . LEU A 0 75 . -44.284 -16.403 45.523 1.00 46.48 75 A 1 ATOM 645 C CG . LEU A 0 75 . -45.905 -12.230 45.423 1.00 46.48 75 A 1 ATOM 646 C CD1 . LEU A 0 75 . -46.627 -11.448 44.331 1.00 46.48 75 A 1 ATOM 647 C CD2 . LEU A 0 75 . -46.859 -12.438 46.599 1.00 46.48 75 A 1 ATOM 648 O OXT . LEU A 0 75 . -44.212 -15.424 47.533 1.00 46.48 75 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 78.42 # loop_ _atom_type.symbol C N O S #