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 ILE 0 3 THR 0 4 SER 0 5 VAL 0 6 PRO 0 7 LEU 0 8 LEU 0 9 PHE 0 10 ILE 0 11 PHE 0 12 GLY 0 13 ILE 0 14 PHE 0 15 LYS 0 16 GLU 0 17 LEU 0 18 LEU 0 19 SER 0 20 MET 0 21 GLU 0 22 CYS 0 23 TYR 0 24 VAL 0 25 CYS 0 26 ARG 0 27 ASN 0 28 GLN 0 29 GLU 0 30 GLY 0 31 ASN 0 32 LYS 0 33 ASP 0 34 LYS 0 35 CYS 0 36 ILE 0 37 LYS 0 38 THR 0 39 THR 0 40 MET 0 41 GLN 0 42 CYS 0 43 LEU 0 44 GLU 0 45 ASP 0 46 GLU 0 47 HIS 0 48 SER 0 49 CYS 0 50 ILE 0 51 THR 0 52 ASN 0 53 ILE 0 54 SER 0 55 TYR 0 56 THR 0 57 ILE 0 58 PRO 0 59 PRO 0 60 TYR 0 61 TRP 0 62 SER 0 63 PRO 0 64 MET 0 65 GLY 0 66 GLU 0 67 ARG 0 68 THR 0 69 HIS 0 70 PHE 0 71 LEU 0 72 TRP 0 73 LYS 0 74 ALA 0 75 CYS 0 76 ILE 0 77 SER 0 78 THR 0 79 GLU 0 80 GLU 0 81 CYS 0 82 GLU 0 83 ARG 0 84 GLN 0 85 LYS 0 86 GLU 0 87 ILE 0 88 ALA 0 89 GLY 0 90 LYS 0 91 THR 0 92 CYS 0 93 GLN 0 94 ARG 0 95 GLU 0 96 TRP 0 97 TYR 0 98 MET 0 99 ASP 0 100 TRP 0 101 ARG 0 102 CYS 0 103 VAL 0 104 GLU 0 105 CYS 0 106 CYS 0 107 GLN 0 108 GLY 0 109 GLU 0 110 LEU 0 111 CYS 0 112 ASN 0 113 TYR 0 114 TYR 0 115 ALA 0 116 THR 0 117 LEU 0 118 SER 0 119 GLY 0 120 TYR 0 121 ARG 0 122 ILE 0 123 TYR 0 124 LEU 0 125 ASP 0 126 LYS 0 127 ASN 0 128 LEU 0 129 ILE 0 130 ILE 0 131 SER 0 132 ILE 0 133 MET 0 134 ILE 0 135 LEU 0 136 LEU 0 137 ILE 0 138 VAL 0 139 TYR 0 140 HIS 0 141 LEU 0 142 PHE # 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 . -55.288 -21.638 36.990 1.00 44.40 1 A 1 ATOM 2 C CA . MET A 0 1 . -53.881 -22.003 37.262 1.00 44.40 1 A 1 ATOM 3 C C . MET A 0 1 . -53.031 -21.202 36.294 1.00 44.40 1 A 1 ATOM 4 C CB . MET A 0 1 . -53.661 -23.515 37.130 1.00 44.40 1 A 1 ATOM 5 O O . MET A 0 1 . -53.320 -21.213 35.107 1.00 44.40 1 A 1 ATOM 6 C CG . MET A 0 1 . -54.375 -24.258 38.270 1.00 44.40 1 A 1 ATOM 7 S SD . MET A 0 1 . -54.516 -26.045 38.044 1.00 44.40 1 A 1 ATOM 8 C CE . MET A 0 1 . -52.794 -26.564 38.278 1.00 44.40 1 A 1 ATOM 9 N N . ILE A 0 2 . -52.150 -20.370 36.840 1.00 55.54 2 A 1 ATOM 10 C CA . ILE A 0 2 . -51.534 -19.214 36.178 1.00 55.54 2 A 1 ATOM 11 C C . ILE A 0 2 . -50.494 -19.665 35.144 1.00 55.54 2 A 1 ATOM 12 C CB . ILE A 0 2 . -50.964 -18.277 37.271 1.00 55.54 2 A 1 ATOM 13 O O . ILE A 0 2 . -49.753 -20.618 35.359 1.00 55.54 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . -52.134 -17.676 38.094 1.00 55.54 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . -50.083 -17.151 36.704 1.00 55.54 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . -51.710 -17.141 39.466 1.00 55.54 2 A 1 ATOM 17 N N . THR A 0 3 . -50.487 -18.961 34.020 1.00 56.55 3 A 1 ATOM 18 C CA . THR A 0 3 . -49.629 -19.107 32.846 1.00 56.55 3 A 1 ATOM 19 C C . THR A 0 3 . -48.146 -18.942 33.184 1.00 56.55 3 A 1 ATOM 20 C CB . THR A 0 3 . -50.030 -17.999 31.851 1.00 56.55 3 A 1 ATOM 21 O O . THR A 0 3 . -47.690 -17.835 33.457 1.00 56.55 3 A 1 ATOM 22 C CG2 . THR A 0 3 . -51.416 -18.238 31.252 1.00 56.55 3 A 1 ATOM 23 O OG1 . THR A 0 3 . -50.097 -16.762 32.532 1.00 56.55 3 A 1 ATOM 24 N N . SER A 0 4 . -47.373 -20.020 33.098 1.00 62.77 4 A 1 ATOM 25 C CA . SER A 0 4 . -45.910 -19.977 33.033 1.00 62.77 4 A 1 ATOM 26 C C . SER A 0 4 . -45.479 -20.335 31.610 1.00 62.77 4 A 1 ATOM 27 C CB . SER A 0 4 . -45.303 -20.900 34.098 1.00 62.77 4 A 1 ATOM 28 O O . SER A 0 4 . -44.997 -21.437 31.358 1.00 62.77 4 A 1 ATOM 29 O OG . SER A 0 4 . -45.747 -22.226 33.894 1.00 62.77 4 A 1 ATOM 30 N N . VAL A 0 5 . -45.720 -19.441 30.645 1.00 61.40 5 A 1 ATOM 31 C CA . VAL A 0 5 . -45.026 -19.551 29.354 1.00 61.40 5 A 1 ATOM 32 C C . VAL A 0 5 . -43.578 -19.167 29.651 1.00 61.40 5 A 1 ATOM 33 C CB . VAL A 0 5 . -45.640 -18.676 28.249 1.00 61.40 5 A 1 ATOM 34 O O . VAL A 0 5 . -43.349 -18.048 30.118 1.00 61.40 5 A 1 ATOM 35 C CG1 . VAL A 0 5 . -44.854 -18.803 26.936 1.00 61.40 5 A 1 ATOM 36 C CG2 . VAL A 0 5 . -47.084 -19.117 27.976 1.00 61.40 5 A 1 ATOM 37 N N . PRO A 0 6 . -42.619 -20.095 29.499 1.00 57.00 6 A 1 ATOM 38 C CA . PRO A 0 6 . -41.245 -19.843 29.873 1.00 57.00 6 A 1 ATOM 39 C C . PRO A 0 6 . -40.750 -18.694 29.009 1.00 57.00 6 A 1 ATOM 40 C CB . PRO A 0 6 . -40.490 -21.155 29.649 1.00 57.00 6 A 1 ATOM 41 O O . PRO A 0 6 . -40.892 -18.721 27.786 1.00 57.00 6 A 1 ATOM 42 C CG . PRO A 0 6 . -41.316 -21.861 28.575 1.00 57.00 6 A 1 ATOM 43 C CD . PRO A 0 6 . -42.740 -21.378 28.829 1.00 57.00 6 A 1 ATOM 44 N N . LEU A 0 7 . -40.228 -17.678 29.690 1.00 60.32 7 A 1 ATOM 45 C CA . LEU A 0 7 . -39.507 -16.543 29.145 1.00 60.32 7 A 1 ATOM 46 C C . LEU A 0 7 . -38.324 -17.114 28.345 1.00 60.32 7 A 1 ATOM 47 C CB . LEU A 0 7 . -39.090 -15.673 30.358 1.00 60.32 7 A 1 ATOM 48 O O . LEU A 0 7 . -37.234 -17.304 28.877 1.00 60.32 7 A 1 ATOM 49 C CG . LEU A 0 7 . -38.912 -14.179 30.046 1.00 60.32 7 A 1 ATOM 50 C CD1 . LEU A 0 7 . -40.227 -13.430 30.286 1.00 60.32 7 A 1 ATOM 51 C CD2 . LEU A 0 7 . -37.847 -13.564 30.953 1.00 60.32 7 A 1 ATOM 52 N N . LEU A 0 8 . -38.589 -17.542 27.108 1.00 61.06 8 A 1 ATOM 53 C CA . LEU A 0 8 . -37.607 -18.085 26.186 1.00 61.06 8 A 1 ATOM 54 C C . LEU A 0 8 . -36.550 -17.006 26.049 1.00 61.06 8 A 1 ATOM 55 C CB . LEU A 0 8 . -38.279 -18.449 24.845 1.00 61.06 8 A 1 ATOM 56 O O . LEU A 0 8 . -36.815 -15.936 25.510 1.00 61.06 8 A 1 ATOM 57 C CG . LEU A 0 8 . -38.627 -19.947 24.745 1.00 61.06 8 A 1 ATOM 58 C CD1 . LEU A 0 8 . -39.812 -20.170 23.807 1.00 61.06 8 A 1 ATOM 59 C CD2 . LEU A 0 8 . -37.435 -20.748 24.211 1.00 61.06 8 A 1 ATOM 60 N N . PHE A 0 9 . -35.404 -17.289 26.659 1.00 63.12 9 A 1 ATOM 61 C CA . PHE A 0 9 . -34.213 -16.471 26.696 1.00 63.12 9 A 1 ATOM 62 C C . PHE A 0 9 . -33.914 -15.947 25.291 1.00 63.12 9 A 1 ATOM 63 C CB . PHE A 0 9 . -33.067 -17.353 27.216 1.00 63.12 9 A 1 ATOM 64 O O . PHE A 0 9 . -33.280 -16.620 24.479 1.00 63.12 9 A 1 ATOM 65 C CG . PHE A 0 9 . -32.833 -17.328 28.713 1.00 63.12 9 A 1 ATOM 66 C CD1 . PHE A 0 9 . -31.846 -16.471 29.225 1.00 63.12 9 A 1 ATOM 67 C CD2 . PHE A 0 9 . -33.534 -18.181 29.587 1.00 63.12 9 A 1 ATOM 68 C CE1 . PHE A 0 9 . -31.498 -16.513 30.584 1.00 63.12 9 A 1 ATOM 69 C CE2 . PHE A 0 9 . -33.211 -18.199 30.958 1.00 63.12 9 A 1 ATOM 70 C CZ . PHE A 0 9 . -32.179 -17.381 31.452 1.00 63.12 9 A 1 ATOM 71 N N . ILE A 0 10 . -34.363 -14.726 25.005 1.00 66.72 10 A 1 ATOM 72 C CA . ILE A 0 10 . -33.856 -13.938 23.893 1.00 66.72 10 A 1 ATOM 73 C C . ILE A 0 10 . -32.461 -13.499 24.341 1.00 66.72 10 A 1 ATOM 74 C CB . ILE A 0 10 . -34.803 -12.769 23.513 1.00 66.72 10 A 1 ATOM 75 O O . ILE A 0 10 . -32.248 -12.364 24.759 1.00 66.72 10 A 1 ATOM 76 C CG1 . ILE A 0 10 . -36.235 -13.278 23.216 1.00 66.72 10 A 1 ATOM 77 C CG2 . ILE A 0 10 . -34.241 -12.019 22.287 1.00 66.72 10 A 1 ATOM 78 C CD1 . ILE A 0 10 . -37.237 -12.184 22.820 1.00 66.72 10 A 1 ATOM 79 N N . PHE A 0 11 . -31.495 -14.419 24.307 1.00 65.04 11 A 1 ATOM 80 C CA . PHE A 0 11 . -30.097 -14.035 24.177 1.00 65.04 11 A 1 ATOM 81 C C . PHE A 0 11 . -29.967 -13.471 22.766 1.00 65.04 11 A 1 ATOM 82 C CB . PHE A 0 11 . -29.148 -15.209 24.469 1.00 65.04 11 A 1 ATOM 83 O O . PHE A 0 11 . -29.602 -14.164 21.818 1.00 65.04 11 A 1 ATOM 84 C CG . PHE A 0 11 . -28.755 -15.332 25.930 1.00 65.04 11 A 1 ATOM 85 C CD1 . PHE A 0 11 . -27.796 -14.455 26.473 1.00 65.04 11 A 1 ATOM 86 C CD2 . PHE A 0 11 . -29.307 -16.340 26.739 1.00 65.04 11 A 1 ATOM 87 C CE1 . PHE A 0 11 . -27.410 -14.570 27.821 1.00 65.04 11 A 1 ATOM 88 C CE2 . PHE A 0 11 . -28.909 -16.464 28.083 1.00 65.04 11 A 1 ATOM 89 C CZ . PHE A 0 11 . -27.977 -15.568 28.631 1.00 65.04 11 A 1 ATOM 90 N N . GLY A 0 12 . -30.385 -12.211 22.617 1.00 65.97 12 A 1 ATOM 91 C CA . GLY A 0 12 . -30.075 -11.424 21.443 1.00 65.97 12 A 1 ATOM 92 C C . GLY A 0 12 . -28.567 -11.476 21.290 1.00 65.97 12 A 1 ATOM 93 O O . GLY A 0 12 . -27.834 -11.092 22.200 1.00 65.97 12 A 1 ATOM 94 N N . ILE A 0 13 . -28.109 -12.034 20.174 1.00 69.48 13 A 1 ATOM 95 C CA . ILE A 0 13 . -26.708 -11.984 19.790 1.00 69.48 13 A 1 ATOM 96 C C . ILE A 0 13 . -26.436 -10.507 19.507 1.00 69.48 13 A 1 ATOM 97 C CB . ILE A 0 13 . -26.426 -12.909 18.579 1.00 69.48 13 A 1 ATOM 98 O O . ILE A 0 13 . -26.643 -10.036 18.389 1.00 69.48 13 A 1 ATOM 99 C CG1 . ILE A 0 13 . -26.892 -14.359 18.862 1.00 69.48 13 A 1 ATOM 100 C CG2 . ILE A 0 13 . -24.925 -12.874 18.234 1.00 69.48 13 A 1 ATOM 101 C CD1 . ILE A 0 13 . -26.702 -15.325 17.684 1.00 69.48 13 A 1 ATOM 102 N N . PHE A 0 14 . -26.058 -9.750 20.537 1.00 66.81 14 A 1 ATOM 103 C CA . PHE A 0 14 . -25.480 -8.431 20.363 1.00 66.81 14 A 1 ATOM 104 C C . PHE A 0 14 . -24.162 -8.673 19.640 1.00 66.81 14 A 1 ATOM 105 C CB . PHE A 0 14 . -25.296 -7.714 21.711 1.00 66.81 14 A 1 ATOM 106 O O . PHE A 0 14 . -23.150 -9.003 20.252 1.00 66.81 14 A 1 ATOM 107 C CG . PHE A 0 14 . -26.593 -7.310 22.389 1.00 66.81 14 A 1 ATOM 108 C CD1 . PHE A 0 14 . -27.237 -6.109 22.032 1.00 66.81 14 A 1 ATOM 109 C CD2 . PHE A 0 14 . -27.157 -8.131 23.383 1.00 66.81 14 A 1 ATOM 110 C CE1 . PHE A 0 14 . -28.437 -5.734 22.665 1.00 66.81 14 A 1 ATOM 111 C CE2 . PHE A 0 14 . -28.356 -7.758 24.014 1.00 66.81 14 A 1 ATOM 112 C CZ . PHE A 0 14 . -28.997 -6.560 23.656 1.00 66.81 14 A 1 ATOM 113 N N . LYS A 0 15 . -24.191 -8.597 18.308 1.00 66.06 15 A 1 ATOM 114 C CA . LYS A 0 15 . -22.969 -8.347 17.563 1.00 66.06 15 A 1 ATOM 115 C C . LYS A 0 15 . -22.532 -6.973 18.034 1.00 66.06 15 A 1 ATOM 116 C CB . LYS A 0 15 . -23.209 -8.390 16.047 1.00 66.06 15 A 1 ATOM 117 O O . LYS A 0 15 . -23.166 -5.986 17.667 1.00 66.06 15 A 1 ATOM 118 C CG . LYS A 0 15 . -23.517 -9.810 15.550 1.00 66.06 15 A 1 ATOM 119 C CD . LYS A 0 15 . -23.479 -9.841 14.018 1.00 66.06 15 A 1 ATOM 120 C CE . LYS A 0 15 . -23.725 -11.263 13.502 1.00 66.06 15 A 1 ATOM 121 N NZ . LYS A 0 15 . -23.486 -11.340 12.039 1.00 66.06 15 A 1 ATOM 122 N N . GLU A 0 16 . -21.548 -6.923 18.925 1.00 66.29 16 A 1 ATOM 123 C CA . GLU A 0 16 . -20.840 -5.683 19.198 1.00 66.29 16 A 1 ATOM 124 C C . GLU A 0 16 . -20.450 -5.136 17.829 1.00 66.29 16 A 1 ATOM 125 C CB . GLU A 0 16 . -19.617 -5.927 20.093 1.00 66.29 16 A 1 ATOM 126 O O . GLU A 0 16 . -19.751 -5.799 17.058 1.00 66.29 16 A 1 ATOM 127 C CG . GLU A 0 16 . -20.032 -6.282 21.530 1.00 66.29 16 A 1 ATOM 128 C CD . GLU A 0 16 . -18.842 -6.545 22.468 1.00 66.29 16 A 1 ATOM 129 O OE1 . GLU A 0 16 . -19.104 -6.665 23.687 1.00 66.29 16 A 1 ATOM 130 O OE2 . GLU A 0 16 . -17.699 -6.647 21.972 1.00 66.29 16 A 1 ATOM 131 N N . LEU A 0 17 . -21.035 -3.994 17.467 1.00 67.21 17 A 1 ATOM 132 C CA . LEU A 0 17 . -20.742 -3.313 16.218 1.00 67.21 17 A 1 ATOM 133 C C . LEU A 0 17 . -19.369 -2.665 16.416 1.00 67.21 17 A 1 ATOM 134 C CB . LEU A 0 17 . -21.894 -2.342 15.870 1.00 67.21 17 A 1 ATOM 135 O O . LEU A 0 17 . -19.251 -1.464 16.640 1.00 67.21 17 A 1 ATOM 136 C CG . LEU A 0 17 . -22.114 -2.200 14.348 1.00 67.21 17 A 1 ATOM 137 C CD1 . LEU A 0 17 . -23.391 -2.938 13.930 1.00 67.21 17 A 1 ATOM 138 C CD2 . LEU A 0 17 . -22.251 -0.739 13.927 1.00 67.21 17 A 1 ATOM 139 N N . LEU A 0 18 . -18.336 -3.502 16.492 1.00 73.68 18 A 1 ATOM 140 C CA . LEU A 0 18 . -16.968 -3.053 16.632 1.00 73.68 18 A 1 ATOM 141 C C . LEU A 0 18 . -16.600 -2.386 15.316 1.00 73.68 18 A 1 ATOM 142 C CB . LEU A 0 18 . -16.035 -4.221 17.002 1.00 73.68 18 A 1 ATOM 143 O O . LEU A 0 18 . -16.688 -2.988 14.244 1.00 73.68 18 A 1 ATOM 144 C CG . LEU A 0 18 . -16.287 -4.805 18.406 1.00 73.68 18 A 1 ATOM 145 C CD1 . LEU A 0 18 . -15.440 -6.060 18.610 1.00 73.68 18 A 1 ATOM 146 C CD2 . LEU A 0 18 . -15.953 -3.815 19.527 1.00 73.68 18 A 1 ATOM 147 N N . SER A 0 19 . -16.232 -1.114 15.412 1.00 85.55 19 A 1 ATOM 148 C CA . SER A 0 19 . -15.632 -0.403 14.296 1.00 85.55 19 A 1 ATOM 149 C C . SER A 0 19 . -14.366 -1.144 13.888 1.00 85.55 19 A 1 ATOM 150 C CB . SER A 0 19 . -15.296 1.025 14.710 1.00 85.55 19 A 1 ATOM 151 O O . SER A 0 19 . -13.522 -1.429 14.737 1.00 85.55 19 A 1 ATOM 152 O OG . SER A 0 19 . -15.003 1.788 13.569 1.00 85.55 19 A 1 ATOM 153 N N . MET A 0 20 . -14.234 -1.459 12.600 1.00 93.72 20 A 1 ATOM 154 C CA . MET A 0 20 . -13.028 -2.097 12.082 1.00 93.72 20 A 1 ATOM 155 C C . MET A 0 20 . -11.820 -1.187 12.328 1.00 93.72 20 A 1 ATOM 156 C CB . MET A 0 20 . -13.208 -2.407 10.591 1.00 93.72 20 A 1 ATOM 157 O O . MET A 0 20 . -11.918 0.034 12.202 1.00 93.72 20 A 1 ATOM 158 C CG . MET A 0 20 . -12.071 -3.272 10.031 1.00 93.72 20 A 1 ATOM 159 S SD . MET A 0 20 . -12.206 -3.623 8.258 1.00 93.72 20 A 1 ATOM 160 C CE . MET A 0 20 . -11.856 -1.957 7.642 1.00 93.72 20 A 1 ATOM 161 N N . GLU A 0 21 . -10.683 -1.783 12.668 1.00 97.49 21 A 1 ATOM 162 C CA . GLU A 0 21 . -9.430 -1.070 12.893 1.00 97.49 21 A 1 ATOM 163 C C . GLU A 0 21 . -8.388 -1.477 11.846 1.00 97.49 21 A 1 ATOM 164 C CB . GLU A 0 21 . -8.953 -1.336 14.330 1.00 97.49 21 A 1 ATOM 165 O O . GLU A 0 21 . -8.285 -2.651 11.488 1.00 97.49 21 A 1 ATOM 166 C CG . GLU A 0 21 . -7.908 -0.300 14.752 1.00 97.49 21 A 1 ATOM 167 C CD . GLU A 0 21 . -7.413 -0.440 16.196 1.00 97.49 21 A 1 ATOM 168 O OE1 . GLU A 0 21 . -6.845 0.561 16.690 1.00 97.49 21 A 1 ATOM 169 O OE2 . GLU A 0 21 . -7.526 -1.532 16.783 1.00 97.49 21 A 1 ATOM 170 N N . CYS A 0 22 . -7.586 -0.521 11.377 1.00 98.72 22 A 1 ATOM 171 C CA . CYS A 0 22 . -6.460 -0.763 10.474 1.00 98.72 22 A 1 ATOM 172 C C . CYS A 0 22 . -5.171 -0.168 11.047 1.00 98.72 22 A 1 ATOM 173 C CB . CYS A 0 22 . -6.751 -0.146 9.100 1.00 98.72 22 A 1 ATOM 174 O O . CYS A 0 22 . -5.196 0.832 11.768 1.00 98.72 22 A 1 ATOM 175 S SG . CYS A 0 22 . -8.192 -0.797 8.225 1.00 98.72 22 A 1 ATOM 176 N N . TYR A 0 23 . -4.018 -0.711 10.649 1.00 98.74 23 A 1 ATOM 177 C CA . TYR A 0 23 . -2.748 -0.006 10.825 1.00 98.74 23 A 1 ATOM 178 C C . TYR A 0 23 . -2.718 1.241 9.947 1.00 98.74 23 A 1 ATOM 179 C CB . TYR A 0 23 . -1.555 -0.910 10.513 1.00 98.74 23 A 1 ATOM 180 O O . TYR A 0 23 . -3.111 1.188 8.777 1.00 98.74 23 A 1 ATOM 181 C CG . TYR A 0 23 . -1.382 -1.997 11.543 1.00 98.74 23 A 1 ATOM 182 C CD1 . TYR A 0 23 . -0.837 -1.676 12.800 1.00 98.74 23 A 1 ATOM 183 C CD2 . TYR A 0 23 . -1.835 -3.300 11.275 1.00 98.74 23 A 1 ATOM 184 C CE1 . TYR A 0 23 . -0.761 -2.657 13.806 1.00 98.74 23 A 1 ATOM 185 C CE2 . TYR A 0 23 . -1.745 -4.282 12.273 1.00 98.74 23 A 1 ATOM 186 O OH . TYR A 0 23 . -1.124 -4.925 14.493 1.00 98.74 23 A 1 ATOM 187 C CZ . TYR A 0 23 . -1.224 -3.961 13.543 1.00 98.74 23 A 1 ATOM 188 N N . VAL A 0 24 . -2.214 2.348 10.495 1.00 98.51 24 A 1 ATOM 189 C CA . VAL A 0 24 . -2.127 3.630 9.792 1.00 98.51 24 A 1 ATOM 190 C C . VAL A 0 24 . -0.730 4.218 9.877 1.00 98.51 24 A 1 ATOM 191 C CB . VAL A 0 24 . -3.194 4.646 10.231 1.00 98.51 24 A 1 ATOM 192 O O . VAL A 0 24 . -0.093 4.260 10.928 1.00 98.51 24 A 1 ATOM 193 C CG1 . VAL A 0 24 . -4.602 4.072 10.062 1.00 98.51 24 A 1 ATOM 194 C CG2 . VAL A 0 24 . -3.032 5.130 11.673 1.00 98.51 24 A 1 ATOM 195 N N . CYS A 0 25 . -0.219 4.671 8.739 1.00 98.30 25 A 1 ATOM 196 C CA . CYS A 0 25 . 1.121 5.235 8.654 1.00 98.30 25 A 1 ATOM 197 C C . CYS A 0 25 . 1.270 6.021 7.354 1.00 98.30 25 A 1 ATOM 198 C CB . CYS A 0 25 . 2.139 4.091 8.810 1.00 98.30 25 A 1 ATOM 199 O O . CYS A 0 25 . 0.587 5.725 6.376 1.00 98.30 25 A 1 ATOM 200 S SG . CYS A 0 25 . 2.857 3.300 7.347 1.00 98.30 25 A 1 ATOM 201 N N . ARG A 0 26 . 2.152 7.025 7.309 1.00 96.82 26 A 1 ATOM 202 C CA . ARG A 0 26 . 2.362 7.836 6.101 1.00 96.82 26 A 1 ATOM 203 C C . ARG A 0 26 . 3.830 7.964 5.749 1.00 96.82 26 A 1 ATOM 204 C CB . ARG A 0 26 . 1.642 9.189 6.254 1.00 96.82 26 A 1 ATOM 205 O O . ARG A 0 26 . 4.605 8.490 6.542 1.00 96.82 26 A 1 ATOM 206 C CG . ARG A 0 26 . 1.598 10.003 4.949 1.00 96.82 26 A 1 ATOM 207 C CD . ARG A 0 26 . 0.756 11.274 5.138 1.00 96.82 26 A 1 ATOM 208 N NE . ARG A 0 26 . 0.651 12.056 3.889 1.00 96.82 26 A 1 ATOM 209 N NH1 . ARG A 0 26 . -0.600 13.795 4.727 1.00 96.82 26 A 1 ATOM 210 N NH2 . ARG A 0 26 . -0.023 13.792 2.575 1.00 96.82 26 A 1 ATOM 211 C CZ . ARG A 0 26 . 0.014 13.206 3.738 1.00 96.82 26 A 1 ATOM 212 N N . ASN A 0 27 . 4.166 7.505 4.544 1.00 93.70 27 A 1 ATOM 213 C CA . ASN A 0 27 . 5.495 7.570 3.942 1.00 93.70 27 A 1 ATOM 214 C C . ASN A 0 27 . 6.611 7.065 4.877 1.00 93.70 27 A 1 ATOM 215 C CB . ASN A 0 27 . 5.718 8.989 3.386 1.00 93.70 27 A 1 ATOM 216 O O . ASN A 0 27 . 7.625 7.733 5.062 1.00 93.70 27 A 1 ATOM 217 C CG . ASN A 0 27 . 6.811 9.004 2.336 1.00 93.70 27 A 1 ATOM 218 N ND2 . ASN A 0 27 . 7.598 10.048 2.259 1.00 93.70 27 A 1 ATOM 219 O OD1 . ASN A 0 27 . 6.933 8.097 1.540 1.00 93.70 27 A 1 ATOM 220 N N . GLN A 0 28 . 6.380 5.931 5.540 1.00 95.40 28 A 1 ATOM 221 C CA . GLN A 0 28 . 7.343 5.341 6.469 1.00 95.40 28 A 1 ATOM 222 C C . GLN A 0 28 . 8.312 4.435 5.716 1.00 95.40 28 A 1 ATOM 223 C CB . GLN A 0 28 . 6.619 4.565 7.578 1.00 95.40 28 A 1 ATOM 224 O O . GLN A 0 28 . 7.879 3.611 4.916 1.00 95.40 28 A 1 ATOM 225 C CG . GLN A 0 28 . 5.730 5.452 8.461 1.00 95.40 28 A 1 ATOM 226 C CD . GLN A 0 28 . 6.504 6.578 9.143 1.00 95.40 28 A 1 ATOM 227 N NE2 . GLN A 0 28 . 6.355 7.811 8.712 1.00 95.40 28 A 1 ATOM 228 O OE1 . GLN A 0 28 . 7.247 6.375 10.088 1.00 95.40 28 A 1 ATOM 229 N N . GLU A 0 29 . 9.609 4.575 5.980 1.00 94.51 29 A 1 ATOM 230 C CA . GLU A 0 29 . 10.611 3.667 5.430 1.00 94.51 29 A 1 ATOM 231 C C . GLU A 0 29 . 10.510 2.302 6.123 1.00 94.51 29 A 1 ATOM 232 C CB . GLU A 0 29 . 12.014 4.273 5.550 1.00 94.51 29 A 1 ATOM 233 O O . GLU A 0 29 . 10.824 2.145 7.309 1.00 94.51 29 A 1 ATOM 234 C CG . GLU A 0 29 . 13.016 3.364 4.829 1.00 94.51 29 A 1 ATOM 235 C CD . GLU A 0 29 . 14.451 3.891 4.826 1.00 94.51 29 A 1 ATOM 236 O OE1 . GLU A 0 29 . 15.236 3.323 4.037 1.00 94.51 29 A 1 ATOM 237 O OE2 . GLU A 0 29 . 14.779 4.800 5.623 1.00 94.51 29 A 1 ATOM 238 N N . GLY A 0 30 . 10.074 1.300 5.369 1.00 93.38 30 A 1 ATOM 239 C CA . GLY A 0 30 . 9.865 -0.040 5.886 1.00 93.38 30 A 1 ATOM 240 C C . GLY A 0 30 . 8.591 -0.242 6.697 1.00 93.38 30 A 1 ATOM 241 O O . GLY A 0 30 . 7.916 0.684 7.145 1.00 93.38 30 A 1 ATOM 242 N N . ASN A 0 31 . 8.261 -1.515 6.897 1.00 95.92 31 A 1 ATOM 243 C CA . ASN A 0 31 . 7.103 -1.939 7.677 1.00 95.92 31 A 1 ATOM 244 C C . ASN A 0 31 . 7.479 -2.166 9.151 1.00 95.92 31 A 1 ATOM 245 C CB . ASN A 0 31 . 6.481 -3.166 7.002 1.00 95.92 31 A 1 ATOM 246 O O . ASN A 0 31 . 7.460 -3.292 9.646 1.00 95.92 31 A 1 ATOM 247 C CG . ASN A 0 31 . 5.077 -3.400 7.516 1.00 95.92 31 A 1 ATOM 248 N ND2 . ASN A 0 31 . 4.730 -4.627 7.797 1.00 95.92 31 A 1 ATOM 249 O OD1 . ASN A 0 31 . 4.280 -2.484 7.632 1.00 95.92 31 A 1 ATOM 250 N N . LYS A 0 32 . 7.910 -1.099 9.829 1.00 95.88 32 A 1 ATOM 251 C CA . LYS A 0 32 . 8.423 -1.133 11.208 1.00 95.88 32 A 1 ATOM 252 C C . LYS A 0 32 . 7.966 0.082 12.013 1.00 95.88 32 A 1 ATOM 253 C CB . LYS A 0 32 . 9.958 -1.298 11.188 1.00 95.88 32 A 1 ATOM 254 O O . LYS A 0 32 . 7.360 1.013 11.481 1.00 95.88 32 A 1 ATOM 255 C CG . LYS A 0 32 . 10.686 -0.112 10.534 1.00 95.88 32 A 1 ATOM 256 C CD . LYS A 0 32 . 12.198 -0.354 10.434 1.00 95.88 32 A 1 ATOM 257 C CE . LYS A 0 32 . 12.822 0.841 9.699 1.00 95.88 32 A 1 ATOM 258 N NZ . LYS A 0 32 . 14.266 0.647 9.412 1.00 95.88 32 A 1 ATOM 259 N N . ASP A 0 33 . 8.258 0.058 13.311 1.00 93.17 33 A 1 ATOM 260 C CA . ASP A 0 33 . 7.977 1.138 14.259 1.00 93.17 33 A 1 ATOM 261 C C . ASP A 0 33 . 6.553 1.678 14.151 1.00 93.17 33 A 1 ATOM 262 C CB . ASP A 0 33 . 9.067 2.222 14.172 1.00 93.17 33 A 1 ATOM 263 O O . ASP A 0 33 . 5.601 0.934 14.376 1.00 93.17 33 A 1 ATOM 264 C CG . ASP A 0 33 . 10.405 1.648 14.605 1.00 93.17 33 A 1 ATOM 265 O OD1 . ASP A 0 33 . 10.394 1.028 15.699 1.00 93.17 33 A 1 ATOM 266 O OD2 . ASP A 0 33 . 11.374 1.802 13.834 1.00 93.17 33 A 1 ATOM 267 N N . LYS A 0 34 . 6.396 2.961 13.815 1.00 91.47 34 A 1 ATOM 268 C CA . LYS A 0 34 . 5.093 3.624 13.742 1.00 91.47 34 A 1 ATOM 269 C C . LYS A 0 34 . 4.145 2.903 12.786 1.00 91.47 34 A 1 ATOM 270 C CB . LYS A 0 34 . 5.275 5.093 13.331 1.00 91.47 34 A 1 ATOM 271 O O . LYS A 0 34 . 2.961 2.817 13.081 1.00 91.47 34 A 1 ATOM 272 C CG . LYS A 0 34 . 6.016 5.904 14.407 1.00 91.47 34 A 1 ATOM 273 C CD . LYS A 0 34 . 6.127 7.377 13.996 1.00 91.47 34 A 1 ATOM 274 C CE . LYS A 0 34 . 6.868 8.168 15.082 1.00 91.47 34 A 1 ATOM 275 N NZ . LYS A 0 34 . 6.986 9.603 14.723 1.00 91.47 34 A 1 ATOM 276 N N . CYS A 0 35 . 4.652 2.316 11.698 1.00 96.15 35 A 1 ATOM 277 C CA . CYS A 0 35 . 3.783 1.718 10.687 1.00 96.15 35 A 1 ATOM 278 C C . CYS A 0 35 . 3.081 0.421 11.130 1.00 96.15 35 A 1 ATOM 279 C CB . CYS A 0 35 . 4.538 1.566 9.356 1.00 96.15 35 A 1 ATOM 280 O O . CYS A 0 35 . 2.059 0.064 10.554 1.00 96.15 35 A 1 ATOM 281 S SG . CYS A 0 35 . 3.429 1.407 7.924 1.00 96.15 35 A 1 ATOM 282 N N . ILE A 0 36 . 3.587 -0.242 12.175 1.00 96.23 36 A 1 ATOM 283 C CA . ILE A 0 36 . 3.005 -1.470 12.750 1.00 96.23 36 A 1 ATOM 284 C C . ILE A 0 36 . 2.589 -1.305 14.222 1.00 96.23 36 A 1 ATOM 285 C CB . ILE A 0 36 . 3.961 -2.668 12.564 1.00 96.23 36 A 1 ATOM 286 O O . ILE A 0 36 . 2.272 -2.283 14.894 1.00 96.23 36 A 1 ATOM 287 C CG1 . ILE A 0 36 . 5.304 -2.420 13.289 1.00 96.23 36 A 1 ATOM 288 C CG2 . ILE A 0 36 . 4.160 -2.971 11.069 1.00 96.23 36 A 1 ATOM 289 C CD1 . ILE A 0 36 . 6.183 -3.668 13.400 1.00 96.23 36 A 1 ATOM 290 N N . LYS A 0 37 . 2.647 -0.077 14.750 1.00 96.78 37 A 1 ATOM 291 C CA . LYS A 0 37 . 2.288 0.261 16.141 1.00 96.78 37 A 1 ATOM 292 C C . LYS A 0 37 . 1.163 1.287 16.227 1.00 96.78 37 A 1 ATOM 293 C CB . LYS A 0 37 . 3.520 0.784 16.898 1.00 96.78 37 A 1 ATOM 294 O O . LYS A 0 37 . 0.578 1.439 17.292 1.00 96.78 37 A 1 ATOM 295 C CG . LYS A 0 37 . 4.588 -0.290 17.154 1.00 96.78 37 A 1 ATOM 296 C CD . LYS A 0 37 . 5.848 0.340 17.770 1.00 96.78 37 A 1 ATOM 297 C CE . LYS A 0 37 . 6.940 -0.723 17.954 1.00 96.78 37 A 1 ATOM 298 N NZ . LYS A 0 37 . 8.260 -0.127 18.305 1.00 96.78 37 A 1 ATOM 299 N N . THR A 0 38 . 0.900 2.023 15.150 1.00 98.26 38 A 1 ATOM 300 C CA . THR A 0 38 . -0.174 3.014 15.092 1.00 98.26 38 A 1 ATOM 301 C C . THR A 0 38 . -1.360 2.433 14.339 1.00 98.26 38 A 1 ATOM 302 C CB . THR A 0 38 . 0.309 4.327 14.463 1.00 98.26 38 A 1 ATOM 303 O O . THR A 0 38 . -1.224 1.970 13.206 1.00 98.26 38 A 1 ATOM 304 C CG2 . THR A 0 38 . -0.736 5.434 14.593 1.00 98.26 38 A 1 ATOM 305 O OG1 . THR A 0 38 . 1.450 4.794 15.162 1.00 98.26 38 A 1 ATOM 306 N N . THR A 0 39 . -2.518 2.472 14.982 1.00 98.03 39 A 1 ATOM 307 C CA . THR A 0 39 . -3.786 1.964 14.472 1.00 98.03 39 A 1 ATOM 308 C C . THR A 0 39 . -4.853 3.051 14.572 1.00 98.03 39 A 1 ATOM 309 C CB . THR A 0 39 . -4.205 0.704 15.238 1.00 98.03 39 A 1 ATOM 310 O O . THR A 0 39 . -4.666 4.059 15.262 1.00 98.03 39 A 1 ATOM 311 C CG2 . THR A 0 39 . -3.195 -0.433 15.104 1.00 98.03 39 A 1 ATOM 312 O OG1 . THR A 0 39 . -4.307 0.999 16.608 1.00 98.03 39 A 1 ATOM 313 N N . MET A 0 40 . -5.933 2.901 13.812 1.00 96.89 40 A 1 ATOM 314 C CA . MET A 0 40 . -7.052 3.839 13.805 1.00 96.89 40 A 1 ATOM 315 C C . MET A 0 40 . -8.346 3.099 13.492 1.00 96.89 40 A 1 ATOM 316 C CB . MET A 0 40 . -6.796 4.927 12.755 1.00 96.89 40 A 1 ATOM 317 O O . MET A 0 40 . -8.368 2.230 12.617 1.00 96.89 40 A 1 ATOM 318 C CG . MET A 0 40 . -7.786 6.094 12.804 1.00 96.89 40 A 1 ATOM 319 S SD . MET A 0 40 . -7.504 7.325 11.501 1.00 96.89 40 A 1 ATOM 320 C CE . MET A 0 40 . -8.222 6.436 10.087 1.00 96.89 40 A 1 ATOM 321 N N . GLN A 0 41 . -9.418 3.480 14.184 1.00 97.01 41 A 1 ATOM 322 C CA . GLN A 0 41 . -10.769 3.034 13.864 1.00 97.01 41 A 1 ATOM 323 C C . GLN A 0 41 . -11.225 3.661 12.546 1.00 97.01 41 A 1 ATOM 324 C CB . GLN A 0 41 . -11.728 3.395 15.005 1.00 97.01 41 A 1 ATOM 325 O O . GLN A 0 41 . -11.103 4.872 12.354 1.00 97.01 41 A 1 ATOM 326 C CG . GLN A 0 41 . -11.430 2.572 16.266 1.00 97.01 41 A 1 ATOM 327 C CD . GLN A 0 41 . -12.412 2.855 17.397 1.00 97.01 41 A 1 ATOM 328 N NE2 . GLN A 0 41 . -12.734 1.863 18.196 1.00 97.01 41 A 1 ATOM 329 O OE1 . GLN A 0 41 . -12.889 3.958 17.605 1.00 97.01 41 A 1 ATOM 330 N N . CYS A 0 42 . -11.730 2.826 11.648 1.00 97.41 42 A 1 ATOM 331 C CA . CYS A 0 42 . -12.222 3.244 10.346 1.00 97.41 42 A 1 ATOM 332 C C . CYS A 0 42 . -13.588 3.923 10.449 1.00 97.41 42 A 1 ATOM 333 C CB . CYS A 0 42 . -12.258 2.025 9.424 1.00 97.41 42 A 1 ATOM 334 O O . CYS A 0 42 . -14.357 3.656 11.373 1.00 97.41 42 A 1 ATOM 335 S SG . CYS A 0 42 . -10.678 1.153 9.244 1.00 97.41 42 A 1 ATOM 336 N N . LEU A 0 43 . -13.887 4.798 9.492 1.00 95.74 43 A 1 ATOM 337 C CA . LEU A 0 43 . -15.210 5.407 9.374 1.00 95.74 43 A 1 ATOM 338 C C . LEU A 0 43 . -16.260 4.383 8.916 1.00 95.74 43 A 1 ATOM 339 C CB . LEU A 0 43 . -15.127 6.617 8.429 1.00 95.74 43 A 1 ATOM 340 O O . LEU A 0 43 . -15.934 3.295 8.441 1.00 95.74 43 A 1 ATOM 341 C CG . LEU A 0 43 . -14.172 7.729 8.900 1.00 95.74 43 A 1 ATOM 342 C CD1 . LEU A 0 43 . -14.079 8.813 7.828 1.00 95.74 43 A 1 ATOM 343 C CD2 . LEU A 0 43 . -14.645 8.386 10.203 1.00 95.74 43 A 1 ATOM 344 N N . GLU A 0 44 . -17.538 4.738 9.056 1.00 91.39 44 A 1 ATOM 345 C CA . GLU A 0 44 . -18.662 3.852 8.723 1.00 91.39 44 A 1 ATOM 346 C C . GLU A 0 44 . -18.657 3.408 7.250 1.00 91.39 44 A 1 ATOM 347 C CB . GLU A 0 44 . -19.976 4.560 9.097 1.00 91.39 44 A 1 ATOM 348 O O . GLU A 0 44 . -19.086 2.299 6.954 1.00 91.39 44 A 1 ATOM 349 C CG . GLU A 0 44 . -21.208 3.640 9.014 1.00 91.39 44 A 1 ATOM 350 C CD . GLU A 0 44 . -22.517 4.307 9.479 1.00 91.39 44 A 1 ATOM 351 O OE1 . GLU A 0 44 . -23.551 3.598 9.481 1.00 91.39 44 A 1 ATOM 352 O OE2 . GLU A 0 44 . -22.496 5.507 9.841 1.00 91.39 44 A 1 ATOM 353 N N . ASP A 0 45 . -18.126 4.226 6.339 1.00 94.16 45 A 1 ATOM 354 C CA . ASP A 0 45 . -17.993 3.948 4.904 1.00 94.16 45 A 1 ATOM 355 C C . ASP A 0 45 . -16.641 3.312 4.504 1.00 94.16 45 A 1 ATOM 356 C CB . ASP A 0 45 . -18.287 5.247 4.128 1.00 94.16 45 A 1 ATOM 357 O O . ASP A 0 45 . -16.416 2.955 3.340 1.00 94.16 45 A 1 ATOM 358 C CG . ASP A 0 45 . -17.303 6.399 4.398 1.00 94.16 45 A 1 ATOM 359 O OD1 . ASP A 0 45 . -16.938 6.611 5.579 1.00 94.16 45 A 1 ATOM 360 O OD2 . ASP A 0 45 . -16.970 7.102 3.416 1.00 94.16 45 A 1 ATOM 361 N N . GLU A 0 46 . -15.732 3.115 5.463 1.00 97.04 46 A 1 ATOM 362 C CA . GLU A 0 46 . -14.387 2.579 5.251 1.00 97.04 46 A 1 ATOM 363 C C . GLU A 0 46 . -14.293 1.105 5.669 1.00 97.04 46 A 1 ATOM 364 C CB . GLU A 0 46 . -13.350 3.436 5.976 1.00 97.04 46 A 1 ATOM 365 O O . GLU A 0 46 . -13.859 0.746 6.762 1.00 97.04 46 A 1 ATOM 366 C CG . GLU A 0 46 . -13.172 4.836 5.377 1.00 97.04 46 A 1 ATOM 367 C CD . GLU A 0 46 . -12.093 5.628 6.133 1.00 97.04 46 A 1 ATOM 368 O OE1 . GLU A 0 46 . -11.385 6.422 5.473 1.00 97.04 46 A 1 ATOM 369 O OE2 . GLU A 0 46 . -11.921 5.397 7.357 1.00 97.04 46 A 1 ATOM 370 N N . HIS A 0 47 . -14.685 0.215 4.759 1.00 96.49 47 A 1 ATOM 371 C CA . HIS A 0 47 . -14.735 -1.230 5.017 1.00 96.49 47 A 1 ATOM 372 C C . HIS A 0 47 . -13.467 -2.006 4.639 1.00 96.49 47 A 1 ATOM 373 C CB . HIS A 0 47 . -15.955 -1.819 4.312 1.00 96.49 47 A 1 ATOM 374 O O . HIS A 0 47 . -13.478 -3.237 4.660 1.00 96.49 47 A 1 ATOM 375 C CG . HIS A 0 47 . -17.242 -1.155 4.699 1.00 96.49 47 A 1 ATOM 376 C CD2 . HIS A 0 47 . -18.153 -0.606 3.840 1.00 96.49 47 A 1 ATOM 377 N ND1 . HIS A 0 47 . -17.731 -0.990 5.975 1.00 96.49 47 A 1 ATOM 378 C CE1 . HIS A 0 47 . -18.921 -0.376 5.878 1.00 96.49 47 A 1 ATOM 379 N NE2 . HIS A 0 47 . -19.230 -0.150 4.591 1.00 96.49 47 A 1 ATOM 380 N N . SER A 0 48 . -12.390 -1.327 4.243 1.00 98.40 48 A 1 ATOM 381 C CA . SER A 0 48 . -11.125 -1.970 3.880 1.00 98.40 48 A 1 ATOM 382 C C . SER A 0 48 . -9.923 -1.262 4.497 1.00 98.40 48 A 1 ATOM 383 C CB . SER A 0 48 . -10.968 -2.020 2.359 1.00 98.40 48 A 1 ATOM 384 O O . SER A 0 48 . -9.922 -0.051 4.705 1.00 98.40 48 A 1 ATOM 385 O OG . SER A 0 48 . -11.955 -2.850 1.777 1.00 98.40 48 A 1 ATOM 386 N N . CYS A 0 49 . -8.858 -2.022 4.718 1.00 98.75 49 A 1 ATOM 387 C CA . CYS A 0 49 . -7.537 -1.480 4.981 1.00 98.75 49 A 1 ATOM 388 C C . CYS A 0 49 . -6.728 -1.442 3.682 1.00 98.75 49 A 1 ATOM 389 C CB . CYS A 0 49 . -6.817 -2.325 6.029 1.00 98.75 49 A 1 ATOM 390 O O . CYS A 0 49 . -6.673 -2.428 2.940 1.00 98.75 49 A 1 ATOM 391 S SG . CYS A 0 49 . -7.663 -2.638 7.594 1.00 98.75 49 A 1 ATOM 392 N N . ILE A 0 50 . -6.034 -0.331 3.443 1.00 98.75 50 A 1 ATOM 393 C CA . ILE A 0 50 . -5.096 -0.177 2.329 1.00 98.75 50 A 1 ATOM 394 C C . ILE A 0 50 . -3.652 -0.224 2.825 1.00 98.75 50 A 1 ATOM 395 C CB . ILE A 0 50 . -5.429 1.074 1.485 1.00 98.75 50 A 1 ATOM 396 O O . ILE A 0 50 . -3.313 0.305 3.886 1.00 98.75 50 A 1 ATOM 397 C CG1 . ILE A 0 50 . -4.549 1.156 0.222 1.00 98.75 50 A 1 ATOM 398 C CG2 . ILE A 0 50 . -5.363 2.379 2.296 1.00 98.75 50 A 1 ATOM 399 C CD1 . ILE A 0 50 . -5.107 2.095 -0.858 1.00 98.75 50 A 1 ATOM 400 N N . THR A 0 51 . -2.783 -0.847 2.032 1.00 98.67 51 A 1 ATOM 401 C CA . THR A 0 51 . -1.326 -0.701 2.108 1.00 98.67 51 A 1 ATOM 402 C C . THR A 0 51 . -0.803 -0.291 0.742 1.00 98.67 51 A 1 ATOM 403 C CB . THR A 0 51 . -0.646 -1.997 2.563 1.00 98.67 51 A 1 ATOM 404 O O . THR A 0 51 . -0.906 -1.039 -0.225 1.00 98.67 51 A 1 ATOM 405 C CG2 . THR A 0 51 . 0.877 -1.894 2.621 1.00 98.67 51 A 1 ATOM 406 O OG1 . THR A 0 51 . -1.044 -2.289 3.874 1.00 98.67 51 A 1 ATOM 407 N N . ASN A 0 52 . -0.209 0.892 0.660 1.00 98.22 52 A 1 ATOM 408 C CA . ASN A 0 52 . 0.531 1.362 -0.499 1.00 98.22 52 A 1 ATOM 409 C C . ASN A 0 52 . 2.026 1.199 -0.241 1.00 98.22 52 A 1 ATOM 410 C CB . ASN A 0 52 . 0.142 2.814 -0.765 1.00 98.22 52 A 1 ATOM 411 O O . ASN A 0 52 . 2.531 1.640 0.792 1.00 98.22 52 A 1 ATOM 412 C CG . ASN A 0 52 . 0.660 3.333 -2.090 1.00 98.22 52 A 1 ATOM 413 N ND2 . ASN A 0 52 . -0.226 3.785 -2.944 1.00 98.22 52 A 1 ATOM 414 O OD1 . ASN A 0 52 . 1.839 3.338 -2.395 1.00 98.22 52 A 1 ATOM 415 N N . ILE A 0 53 . 2.710 0.570 -1.187 1.00 97.69 53 A 1 ATOM 416 C CA . ILE A 0 53 . 4.133 0.264 -1.134 1.00 97.69 53 A 1 ATOM 417 C C . ILE A 0 53 . 4.770 0.934 -2.343 1.00 97.69 53 A 1 ATOM 418 C CB . ILE A 0 53 . 4.378 -1.261 -1.153 1.00 97.69 53 A 1 ATOM 419 O O . ILE A 0 53 . 4.459 0.584 -3.481 1.00 97.69 53 A 1 ATOM 420 C CG1 . ILE A 0 53 . 3.479 -2.026 -0.156 1.00 97.69 53 A 1 ATOM 421 C CG2 . ILE A 0 53 . 5.868 -1.530 -0.874 1.00 97.69 53 A 1 ATOM 422 C CD1 . ILE A 0 53 . 3.538 -3.548 -0.317 1.00 97.69 53 A 1 ATOM 423 N N . SER A 0 54 . 5.655 1.890 -2.099 1.00 96.49 54 A 1 ATOM 424 C CA . SER A 0 54 . 6.426 2.566 -3.141 1.00 96.49 54 A 1 ATOM 425 C C . SER A 0 54 . 7.895 2.224 -2.974 1.00 96.49 54 A 1 ATOM 426 C CB . SER A 0 54 . 6.204 4.076 -3.064 1.00 96.49 54 A 1 ATOM 427 O O . SER A 0 54 . 8.451 2.440 -1.903 1.00 96.49 54 A 1 ATOM 428 O OG . SER A 0 54 . 4.840 4.373 -3.315 1.00 96.49 54 A 1 ATOM 429 N N . TYR A 0 55 . 8.529 1.693 -4.011 1.00 95.89 55 A 1 ATOM 430 C CA . TYR A 0 55 . 9.951 1.380 -4.002 1.00 95.89 55 A 1 ATOM 431 C C . TYR A 0 55 . 10.688 2.368 -4.887 1.00 95.89 55 A 1 ATOM 432 C CB . TYR A 0 55 . 10.150 -0.050 -4.463 1.00 95.89 55 A 1 ATOM 433 O O . TYR A 0 55 . 10.407 2.455 -6.081 1.00 95.89 55 A 1 ATOM 434 C CG . TYR A 0 55 . 11.573 -0.548 -4.350 1.00 95.89 55 A 1 ATOM 435 C CD1 . TYR A 0 55 . 12.348 -0.748 -5.505 1.00 95.89 55 A 1 ATOM 436 C CD2 . TYR A 0 55 . 12.118 -0.820 -3.083 1.00 95.89 55 A 1 ATOM 437 C CE1 . TYR A 0 55 . 13.651 -1.257 -5.391 1.00 95.89 55 A 1 ATOM 438 C CE2 . TYR A 0 55 . 13.435 -1.300 -2.963 1.00 95.89 55 A 1 ATOM 439 O OH . TYR A 0 55 . 15.471 -2.001 -4.011 1.00 95.89 55 A 1 ATOM 440 C CZ . TYR A 0 55 . 14.200 -1.538 -4.123 1.00 95.89 55 A 1 ATOM 441 N N . THR A 0 56 . 11.580 3.150 -4.287 1.00 94.63 56 A 1 ATOM 442 C CA . THR A 0 56 . 12.258 4.246 -4.979 1.00 94.63 56 A 1 ATOM 443 C C . THR A 0 56 . 13.565 4.629 -4.293 1.00 94.63 56 A 1 ATOM 444 C CB . THR A 0 56 . 11.308 5.449 -5.141 1.00 94.63 56 A 1 ATOM 445 O O . THR A 0 56 . 13.869 4.154 -3.197 1.00 94.63 56 A 1 ATOM 446 C CG2 . THR A 0 56 . 10.980 6.171 -3.834 1.00 94.63 56 A 1 ATOM 447 O OG1 . THR A 0 56 . 11.852 6.376 -6.045 1.00 94.63 56 A 1 ATOM 448 N N . ILE A 0 57 . 14.361 5.470 -4.951 1.00 92.61 57 A 1 ATOM 449 C CA . ILE A 0 57 . 15.533 6.085 -4.328 1.00 92.61 57 A 1 ATOM 450 C C . ILE A 0 57 . 15.024 7.066 -3.259 1.00 92.61 57 A 1 ATOM 451 C CB . ILE A 0 57 . 16.439 6.777 -5.368 1.00 92.61 57 A 1 ATOM 452 O O . ILE A 0 57 . 14.162 7.895 -3.563 1.00 92.61 57 A 1 ATOM 453 C CG1 . ILE A 0 57 . 16.925 5.742 -6.407 1.00 92.61 57 A 1 ATOM 454 C CG2 . ILE A 0 57 . 17.646 7.438 -4.674 1.00 92.61 57 A 1 ATOM 455 C CD1 . ILE A 0 57 . 17.770 6.318 -7.548 1.00 92.61 57 A 1 ATOM 456 N N . PRO A 0 58 . 15.517 6.985 -2.012 1.00 92.35 58 A 1 ATOM 457 C CA . PRO A 0 58 . 15.148 7.926 -0.969 1.00 92.35 58 A 1 ATOM 458 C C . PRO A 0 58 . 15.352 9.385 -1.408 1.00 92.35 58 A 1 ATOM 459 C CB . PRO A 0 58 . 16.035 7.589 0.228 1.00 92.35 58 A 1 ATOM 460 O O . PRO A 0 58 . 16.318 9.691 -2.105 1.00 92.35 58 A 1 ATOM 461 C CG . PRO A 0 58 . 16.438 6.137 0.011 1.00 92.35 58 A 1 ATOM 462 C CD . PRO A 0 58 . 16.439 5.986 -1.504 1.00 92.35 58 A 1 ATOM 463 N N . PRO A 0 59 . 14.496 10.324 -0.967 1.00 87.50 59 A 1 ATOM 464 C CA . PRO A 0 59 . 14.658 11.744 -1.292 1.00 87.50 59 A 1 ATOM 465 C C . PRO A 0 59 . 15.838 12.400 -0.552 1.00 87.50 59 A 1 ATOM 466 C CB . PRO A 0 59 . 13.319 12.375 -0.906 1.00 87.50 59 A 1 ATOM 467 O O . PRO A 0 59 . 16.171 13.554 -0.810 1.00 87.50 59 A 1 ATOM 468 C CG . PRO A 0 59 . 12.841 11.505 0.257 1.00 87.50 59 A 1 ATOM 469 C CD . PRO A 0 59 . 13.326 10.109 -0.130 1.00 87.50 59 A 1 ATOM 470 N N . TYR A 0 60 . 16.443 11.688 0.398 1.00 89.25 60 A 1 ATOM 471 C CA . TYR A 0 60 . 17.656 12.072 1.111 1.00 89.25 60 A 1 ATOM 472 C C . TYR A 0 60 . 18.860 11.306 0.567 1.00 89.25 60 A 1 ATOM 473 C CB . TYR A 0 60 . 17.473 11.846 2.621 1.00 89.25 60 A 1 ATOM 474 O O . TYR A 0 60 . 18.721 10.282 -0.095 1.00 89.25 60 A 1 ATOM 475 C CG . TYR A 0 60 . 16.828 10.525 3.006 1.00 89.25 60 A 1 ATOM 476 C CD1 . TYR A 0 60 . 15.430 10.477 3.147 1.00 89.25 60 A 1 ATOM 477 C CD2 . TYR A 0 60 . 17.598 9.362 3.224 1.00 89.25 60 A 1 ATOM 478 C CE1 . TYR A 0 60 . 14.798 9.275 3.496 1.00 89.25 60 A 1 ATOM 479 C CE2 . TYR A 0 60 . 16.966 8.155 3.603 1.00 89.25 60 A 1 ATOM 480 O OH . TYR A 0 60 . 14.870 6.992 4.049 1.00 89.25 60 A 1 ATOM 481 C CZ . TYR A 0 60 . 15.559 8.116 3.737 1.00 89.25 60 A 1 ATOM 482 N N . TRP A 0 61 . 20.061 11.796 0.875 1.00 88.48 61 A 1 ATOM 483 C CA . TRP A 0 61 . 21.286 11.100 0.504 1.00 88.48 61 A 1 ATOM 484 C C . TRP A 0 61 . 21.304 9.689 1.103 1.00 88.48 61 A 1 ATOM 485 C CB . TRP A 0 61 . 22.499 11.919 0.953 1.00 88.48 61 A 1 ATOM 486 O O . TRP A 0 61 . 21.213 9.526 2.322 1.00 88.48 61 A 1 ATOM 487 C CG . TRP A 0 61 . 23.815 11.327 0.560 1.00 88.48 61 A 1 ATOM 488 C CD1 . TRP A 0 61 . 24.457 11.551 -0.608 1.00 88.48 61 A 1 ATOM 489 C CD2 . TRP A 0 61 . 24.644 10.377 1.299 1.00 88.48 61 A 1 ATOM 490 C CE2 . TRP A 0 61 . 25.793 10.077 0.508 1.00 88.48 61 A 1 ATOM 491 C CE3 . TRP A 0 61 . 24.537 9.730 2.549 1.00 88.48 61 A 1 ATOM 492 N NE1 . TRP A 0 61 . 25.627 10.818 -0.641 1.00 88.48 61 A 1 ATOM 493 C CH2 . TRP A 0 61 . 26.661 8.574 2.192 1.00 88.48 61 A 1 ATOM 494 C CZ2 . TRP A 0 61 . 26.792 9.192 0.937 1.00 88.48 61 A 1 ATOM 495 C CZ3 . TRP A 0 61 . 25.535 8.840 2.992 1.00 88.48 61 A 1 ATOM 496 N N . SER A 0 62 . 21.446 8.684 0.242 1.00 82.31 62 A 1 ATOM 497 C CA . SER A 0 62 . 21.725 7.304 0.619 1.00 82.31 62 A 1 ATOM 498 C C . SER A 0 62 . 23.055 6.867 -0.000 1.00 82.31 62 A 1 ATOM 499 C CB . SER A 0 62 . 20.576 6.360 0.230 1.00 82.31 62 A 1 ATOM 500 O O . SER A 0 62 . 23.362 7.243 -1.142 1.00 82.31 62 A 1 ATOM 501 O OG . SER A 0 62 . 20.367 6.303 -1.169 1.00 82.31 62 A 1 ATOM 502 N N . PRO A 0 63 . 23.872 6.079 0.722 1.00 85.24 63 A 1 ATOM 503 C CA . PRO A 0 63 . 25.038 5.443 0.131 1.00 85.24 63 A 1 ATOM 504 C C . PRO A 0 63 . 24.639 4.699 -1.147 1.00 85.24 63 A 1 ATOM 505 C CB . PRO A 0 63 . 25.586 4.491 1.199 1.00 85.24 63 A 1 ATOM 506 O O . PRO A 0 63 . 23.635 3.995 -1.175 1.00 85.24 63 A 1 ATOM 507 C CG . PRO A 0 63 . 25.074 5.087 2.508 1.00 85.24 63 A 1 ATOM 508 C CD . PRO A 0 63 . 23.725 5.682 2.114 1.00 85.24 63 A 1 ATOM 509 N N . MET A 0 64 . 25.415 4.889 -2.216 1.00 83.69 64 A 1 ATOM 510 C CA . MET A 0 64 . 25.266 4.167 -3.490 1.00 83.69 64 A 1 ATOM 511 C C . MET A 0 64 . 23.918 4.357 -4.216 1.00 83.69 64 A 1 ATOM 512 C CB . MET A 0 64 . 25.625 2.678 -3.294 1.00 83.69 64 A 1 ATOM 513 O O . MET A 0 64 . 23.677 3.682 -5.214 1.00 83.69 64 A 1 ATOM 514 C CG . MET A 0 64 . 26.991 2.488 -2.616 1.00 83.69 64 A 1 ATOM 515 S SD . MET A 0 64 . 27.447 0.778 -2.228 1.00 83.69 64 A 1 ATOM 516 C CE . MET A 0 64 . 27.818 0.135 -3.877 1.00 83.69 64 A 1 ATOM 517 N N . GLY A 0 65 . 23.059 5.285 -3.775 1.00 82.57 65 A 1 ATOM 518 C CA . GLY A 0 65 . 21.730 5.464 -4.367 1.00 82.57 65 A 1 ATOM 519 C C . GLY A 0 65 . 20.824 4.249 -4.155 1.00 82.57 65 A 1 ATOM 520 O O . GLY A 0 65 . 20.008 3.930 -5.021 1.00 82.57 65 A 1 ATOM 521 N N . GLU A 0 66 . 20.993 3.548 -3.030 1.00 89.83 66 A 1 ATOM 522 C CA . GLU A 0 66 . 20.194 2.372 -2.693 1.00 89.83 66 A 1 ATOM 523 C C . GLU A 0 66 . 18.702 2.710 -2.642 1.00 89.83 66 A 1 ATOM 524 C CB . GLU A 0 66 . 20.646 1.768 -1.358 1.00 89.83 66 A 1 ATOM 525 O O . GLU A 0 66 . 18.286 3.701 -2.037 1.00 89.83 66 A 1 ATOM 526 C CG . GLU A 0 66 . 21.971 1.006 -1.504 1.00 89.83 66 A 1 ATOM 527 C CD . GLU A 0 66 . 22.482 0.415 -0.180 1.00 89.83 66 A 1 ATOM 528 O OE1 . GLU A 0 66 . 23.598 -0.151 -0.204 1.00 89.83 66 A 1 ATOM 529 O OE2 . GLU A 0 66 . 21.758 0.500 0.839 1.00 89.83 66 A 1 ATOM 530 N N . ARG A 0 67 . 17.898 1.862 -3.289 1.00 91.86 67 A 1 ATOM 531 C CA . ARG A 0 67 . 16.440 1.968 -3.334 1.00 91.86 67 A 1 ATOM 532 C C . ARG A 0 67 . 15.828 1.314 -2.099 1.00 91.86 67 A 1 ATOM 533 C CB . ARG A 0 67 . 15.911 1.316 -4.618 1.00 91.86 67 A 1 ATOM 534 O O . ARG A 0 67 . 16.208 0.205 -1.721 1.00 91.86 67 A 1 ATOM 535 C CG . ARG A 0 67 . 16.331 2.042 -5.899 1.00 91.86 67 A 1 ATOM 536 C CD . ARG A 0 67 . 15.842 1.257 -7.132 1.00 91.86 67 A 1 ATOM 537 N NE . ARG A 0 67 . 16.009 2.009 -8.397 1.00 91.86 67 A 1 ATOM 538 N NH1 . ARG A 0 67 . 14.394 3.535 -7.958 1.00 91.86 67 A 1 ATOM 539 N NH2 . ARG A 0 67 . 15.350 3.594 -9.937 1.00 91.86 67 A 1 ATOM 540 C CZ . ARG A 0 67 . 15.274 3.045 -8.763 1.00 91.86 67 A 1 ATOM 541 N N . THR A 0 68 . 14.828 1.965 -1.519 1.00 93.09 68 A 1 ATOM 542 C CA . THR A 0 68 . 14.108 1.482 -0.335 1.00 93.09 68 A 1 ATOM 543 C C . THR A 0 68 . 12.601 1.519 -0.562 1.00 93.09 68 A 1 ATOM 544 C CB . THR A 0 68 . 14.524 2.271 0.916 1.00 93.09 68 A 1 ATOM 545 O O . THR A 0 68 . 12.108 2.122 -1.518 1.00 93.09 68 A 1 ATOM 546 C CG2 . THR A 0 68 . 13.849 3.635 0.993 1.00 93.09 68 A 1 ATOM 547 O OG1 . THR A 0 68 . 14.167 1.567 2.081 1.00 93.09 68 A 1 ATOM 548 N N . HIS A 0 69 . 11.857 0.853 0.316 1.00 94.79 69 A 1 ATOM 549 C CA . HIS A 0 69 . 10.402 0.802 0.270 1.00 94.79 69 A 1 ATOM 550 C C . HIS A 0 69 . 9.790 1.762 1.296 1.00 94.79 69 A 1 ATOM 551 C CB . HIS A 0 69 . 9.905 -0.642 0.425 1.00 94.79 69 A 1 ATOM 552 O O . HIS A 0 69 . 10.074 1.692 2.492 1.00 94.79 69 A 1 ATOM 553 C CG . HIS A 0 69 . 10.513 -1.382 1.587 1.00 94.79 69 A 1 ATOM 554 C CD2 . HIS A 0 69 . 9.930 -1.610 2.796 1.00 94.79 69 A 1 ATOM 555 N ND1 . HIS A 0 69 . 11.765 -1.951 1.638 1.00 94.79 69 A 1 ATOM 556 C CE1 . HIS A 0 69 . 11.931 -2.489 2.857 1.00 94.79 69 A 1 ATOM 557 N NE2 . HIS A 0 69 . 10.827 -2.324 3.598 1.00 94.79 69 A 1 ATOM 558 N N . PHE A 0 70 . 8.890 2.614 0.821 1.00 96.67 70 A 1 ATOM 559 C CA . PHE A 0 70 . 8.080 3.522 1.617 1.00 96.67 70 A 1 ATOM 560 C C . PHE A 0 70 . 6.636 3.035 1.672 1.00 96.67 70 A 1 ATOM 561 C CB . PHE A 0 70 . 8.159 4.940 1.052 1.00 96.67 70 A 1 ATOM 562 O O . PHE A 0 70 . 6.049 2.670 0.650 1.00 96.67 70 A 1 ATOM 563 C CG . PHE A 0 70 . 9.543 5.546 1.137 1.00 96.67 70 A 1 ATOM 564 C CD1 . PHE A 0 70 . 9.958 6.192 2.317 1.00 96.67 70 A 1 ATOM 565 C CD2 . PHE A 0 70 . 10.430 5.434 0.050 1.00 96.67 70 A 1 ATOM 566 C CE1 . PHE A 0 70 . 11.258 6.719 2.411 1.00 96.67 70 A 1 ATOM 567 C CE2 . PHE A 0 70 . 11.722 5.980 0.136 1.00 96.67 70 A 1 ATOM 568 C CZ . PHE A 0 70 . 12.140 6.611 1.322 1.00 96.67 70 A 1 ATOM 569 N N . LEU A 0 71 . 6.063 3.037 2.873 1.00 98.03 71 A 1 ATOM 570 C CA . LEU A 0 71 . 4.714 2.564 3.137 1.00 98.03 71 A 1 ATOM 571 C C . LEU A 0 71 . 3.775 3.705 3.517 1.00 98.03 71 A 1 ATOM 572 C CB . LEU A 0 71 . 4.707 1.472 4.216 1.00 98.03 71 A 1 ATOM 573 O O . LEU A 0 71 . 4.106 4.591 4.312 1.00 98.03 71 A 1 ATOM 574 C CG . LEU A 0 71 . 5.148 0.094 3.700 1.00 98.03 71 A 1 ATOM 575 C CD1 . LEU A 0 71 . 6.657 -0.051 3.549 1.00 98.03 71 A 1 ATOM 576 C CD2 . LEU A 0 71 . 4.678 -0.963 4.689 1.00 98.03 71 A 1 ATOM 577 N N . TRP A 0 72 . 2.557 3.627 2.996 1.00 98.05 72 A 1 ATOM 578 C CA . TRP A 0 72 . 1.399 4.356 3.499 1.00 98.05 72 A 1 ATOM 579 C C . TRP A 0 72 . 0.264 3.363 3.744 1.00 98.05 72 A 1 ATOM 580 C CB . TRP A 0 72 . 1.021 5.487 2.531 1.00 98.05 72 A 1 ATOM 581 O O . TRP A 0 72 . -0.057 2.561 2.869 1.00 98.05 72 A 1 ATOM 582 C CG . TRP A 0 72 . -0.289 6.171 2.799 1.00 98.05 72 A 1 ATOM 583 C CD1 . TRP A 0 72 . -0.571 7.003 3.827 1.00 98.05 72 A 1 ATOM 584 C CD2 . TRP A 0 72 . -1.551 6.031 2.077 1.00 98.05 72 A 1 ATOM 585 C CE2 . TRP A 0 72 . -2.544 6.821 2.728 1.00 98.05 72 A 1 ATOM 586 C CE3 . TRP A 0 72 . -1.970 5.292 0.956 1.00 98.05 72 A 1 ATOM 587 N NE1 . TRP A 0 72 . -1.890 7.392 3.788 1.00 98.05 72 A 1 ATOM 588 C CH2 . TRP A 0 72 . -4.256 6.116 1.179 1.00 98.05 72 A 1 ATOM 589 C CZ2 . TRP A 0 72 . -3.874 6.873 2.297 1.00 98.05 72 A 1 ATOM 590 C CZ3 . TRP A 0 72 . -3.303 5.330 0.509 1.00 98.05 72 A 1 ATOM 591 N N . LYS A 0 73 . -0.313 3.392 4.943 1.00 98.64 73 A 1 ATOM 592 C CA . LYS A 0 73 . -1.412 2.521 5.365 1.00 98.64 73 A 1 ATOM 593 C C . LYS A 0 73 . -2.560 3.369 5.902 1.00 98.64 73 A 1 ATOM 594 C CB . LYS A 0 73 . -0.946 1.509 6.422 1.00 98.64 73 A 1 ATOM 595 O O . LYS A 0 73 . -2.297 4.383 6.555 1.00 98.64 73 A 1 ATOM 596 C CG . LYS A 0 73 . 0.132 0.520 5.957 1.00 98.64 73 A 1 ATOM 597 C CD . LYS A 0 73 . 0.435 -0.483 7.084 1.00 98.64 73 A 1 ATOM 598 C CE . LYS A 0 73 . 1.554 -1.468 6.718 1.00 98.64 73 A 1 ATOM 599 N NZ . LYS A 0 73 . 1.077 -2.556 5.829 1.00 98.64 73 A 1 ATOM 600 N N . ALA A 0 74 . -3.797 2.970 5.625 1.00 98.57 74 A 1 ATOM 601 C CA . ALA A 0 74 . -4.993 3.690 6.057 1.00 98.57 74 A 1 ATOM 602 C C . ALA A 0 74 . -6.237 2.783 6.072 1.00 98.57 74 A 1 ATOM 603 C CB . ALA A 0 74 . -5.201 4.901 5.133 1.00 98.57 74 A 1 ATOM 604 O O . ALA A 0 74 . -6.222 1.692 5.496 1.00 98.57 74 A 1 ATOM 605 N N . CYS A 0 75 . -7.304 3.277 6.697 1.00 98.66 75 A 1 ATOM 606 C CA . CYS A 0 75 . -8.675 2.874 6.394 1.00 98.66 75 A 1 ATOM 607 C C . CYS A 0 75 . -9.108 3.492 5.056 1.00 98.66 75 A 1 ATOM 608 C CB . CYS A 0 75 . -9.584 3.358 7.520 1.00 98.66 75 A 1 ATOM 609 O O . CYS A 0 75 . -8.591 4.544 4.667 1.00 98.66 75 A 1 ATOM 610 S SG . CYS A 0 75 . -9.265 2.624 9.139 1.00 98.66 75 A 1 ATOM 611 N N . ILE A 0 76 . -9.984 2.809 4.319 1.00 98.56 76 A 1 ATOM 612 C CA . ILE A 0 76 . -10.498 3.278 3.030 1.00 98.56 76 A 1 ATOM 613 C C . ILE A 0 76 . -11.783 2.535 2.642 1.00 98.56 76 A 1 ATOM 614 C CB . ILE A 0 76 . -9.391 3.123 1.957 1.00 98.56 76 A 1 ATOM 615 O O . ILE A 0 76 . -12.032 1.411 3.093 1.00 98.56 76 A 1 ATOM 616 C CG1 . ILE A 0 76 . -9.661 3.997 0.719 1.00 98.56 76 A 1 ATOM 617 C CG2 . ILE A 0 76 . -9.135 1.654 1.590 1.00 98.56 76 A 1 ATOM 618 C CD1 . ILE A 0 76 . -8.403 4.187 -0.139 1.00 98.56 76 A 1 ATOM 619 N N . SER A 0 77 . -12.583 3.111 1.744 1.00 98.31 77 A 1 ATOM 620 C CA . SER A 0 77 . -13.679 2.369 1.118 1.00 98.31 77 A 1 ATOM 621 C C . SER A 0 77 . -13.140 1.252 0.215 1.00 98.31 77 A 1 ATOM 622 C CB . SER A 0 77 . -14.643 3.300 0.376 1.00 98.31 77 A 1 ATOM 623 O O . SER A 0 77 . -12.090 1.371 -0.427 1.00 98.31 77 A 1 ATOM 624 O OG . SER A 0 77 . -14.124 3.703 -0.878 1.00 98.31 77 A 1 ATOM 625 N N . THR A 0 78 . -13.867 0.137 0.151 1.00 98.32 78 A 1 ATOM 626 C CA . THR A 0 78 . -13.474 -1.029 -0.659 1.00 98.32 78 A 1 ATOM 627 C C . THR A 0 78 . -13.340 -0.674 -2.142 1.00 98.32 78 A 1 ATOM 628 C CB . THR A 0 78 . -14.502 -2.154 -0.485 1.00 98.32 78 A 1 ATOM 629 O O . THR A 0 78 . -12.386 -1.096 -2.793 1.00 98.32 78 A 1 ATOM 630 C CG2 . THR A 0 78 . -14.084 -3.459 -1.157 1.00 98.32 78 A 1 ATOM 631 O OG1 . THR A 0 78 . -14.687 -2.424 0.891 1.00 98.32 78 A 1 ATOM 632 N N . GLU A 0 79 . -14.263 0.139 -2.663 1.00 98.47 79 A 1 ATOM 633 C CA . GLU A 0 79 . -14.255 0.581 -4.061 1.00 98.47 79 A 1 ATOM 634 C C . GLU A 0 79 . -13.008 1.415 -4.386 1.00 98.47 79 A 1 ATOM 635 C CB . GLU A 0 79 . -15.540 1.376 -4.332 1.00 98.47 79 A 1 ATOM 636 O O . GLU A 0 79 . -12.306 1.133 -5.359 1.00 98.47 79 A 1 ATOM 637 C CG . GLU A 0 79 . -15.669 1.787 -5.809 1.00 98.47 79 A 1 ATOM 638 C CD . GLU A 0 79 . -16.933 2.609 -6.108 1.00 98.47 79 A 1 ATOM 639 O OE1 . GLU A 0 79 . -17.061 3.039 -7.276 1.00 98.47 79 A 1 ATOM 640 O OE2 . GLU A 0 79 . -17.756 2.798 -5.184 1.00 98.47 79 A 1 ATOM 641 N N . GLU A 0 80 . -12.680 2.397 -3.542 1.00 98.65 80 A 1 ATOM 642 C CA . GLU A 0 80 . -11.501 3.238 -3.753 1.00 98.65 80 A 1 ATOM 643 C C . GLU A 0 80 . -10.205 2.430 -3.612 1.00 98.65 80 A 1 ATOM 644 C CB . GLU A 0 80 . -11.548 4.433 -2.790 1.00 98.65 80 A 1 ATOM 645 O O . GLU A 0 80 . -9.263 2.643 -4.380 1.00 98.65 80 A 1 ATOM 646 C CG . GLU A 0 80 . -10.313 5.343 -2.857 1.00 98.65 80 A 1 ATOM 647 C CD . GLU A 0 80 . -10.043 6.002 -4.212 1.00 98.65 80 A 1 ATOM 648 O OE1 . GLU A 0 80 . -8.901 6.477 -4.431 1.00 98.65 80 A 1 ATOM 649 O OE2 . GLU A 0 80 . -10.915 6.044 -5.104 1.00 98.65 80 A 1 ATOM 650 N N . CYS A 0 81 . -10.151 1.464 -2.687 1.00 98.76 81 A 1 ATOM 651 C CA . CYS A 0 81 . -8.989 0.587 -2.558 1.00 98.76 81 A 1 ATOM 652 C C . CYS A 0 81 . -8.729 -0.196 -3.848 1.00 98.76 81 A 1 ATOM 653 C CB . CYS A 0 81 . -9.160 -0.373 -1.377 1.00 98.76 81 A 1 ATOM 654 O O . CYS A 0 81 . -7.613 -0.177 -4.377 1.00 98.76 81 A 1 ATOM 655 S SG . CYS A 0 81 . -7.570 -1.017 -0.785 1.00 98.76 81 A 1 ATOM 656 N N . GLU A 0 82 . -9.762 -0.846 -4.391 1.00 98.34 82 A 1 ATOM 657 C CA . GLU A 0 82 . -9.636 -1.622 -5.626 1.00 98.34 82 A 1 ATOM 658 C C . GLU A 0 82 . -9.310 -0.725 -6.829 1.00 98.34 82 A 1 ATOM 659 C CB . GLU A 0 82 . -10.888 -2.482 -5.853 1.00 98.34 82 A 1 ATOM 660 O O . GLU A 0 82 . -8.447 -1.081 -7.636 1.00 98.34 82 A 1 ATOM 661 C CG . GLU A 0 82 . -11.015 -3.646 -4.846 1.00 98.34 82 A 1 ATOM 662 C CD . GLU A 0 82 . -9.821 -4.633 -4.854 1.00 98.34 82 A 1 ATOM 663 O OE1 . GLU A 0 82 . -9.443 -5.191 -3.799 1.00 98.34 82 A 1 ATOM 664 O OE2 . GLU A 0 82 . -9.185 -4.885 -5.906 1.00 98.34 82 A 1 ATOM 665 N N . ARG A 0 83 . -9.863 0.493 -6.899 1.00 98.61 83 A 1 ATOM 666 C CA . ARG A 0 83 . -9.489 1.483 -7.924 1.00 98.61 83 A 1 ATOM 667 C C . ARG A 0 83 . -8.005 1.861 -7.844 1.00 98.61 83 A 1 ATOM 668 C CB . ARG A 0 83 . -10.390 2.716 -7.767 1.00 98.61 83 A 1 ATOM 669 O O . ARG A 0 83 . -7.301 1.883 -8.856 1.00 98.61 83 A 1 ATOM 670 C CG . ARG A 0 83 . -10.275 3.656 -8.975 1.00 98.61 83 A 1 ATOM 671 C CD . ARG A 0 83 . -11.019 4.971 -8.721 1.00 98.61 83 A 1 ATOM 672 N NE . ARG A 0 83 . -10.306 5.822 -7.751 1.00 98.61 83 A 1 ATOM 673 N NH1 . ARG A 0 83 . -8.777 6.794 -9.145 1.00 98.61 83 A 1 ATOM 674 N NH2 . ARG A 0 83 . -8.784 7.307 -6.984 1.00 98.61 83 A 1 ATOM 675 C CZ . ARG A 0 83 . -9.295 6.633 -7.961 1.00 98.61 83 A 1 ATOM 676 N N . GLN A 0 84 . -7.492 2.146 -6.646 1.00 98.57 84 A 1 ATOM 677 C CA . GLN A 0 84 . -6.073 2.467 -6.436 1.00 98.57 84 A 1 ATOM 678 C C . GLN A 0 84 . -5.163 1.282 -6.766 1.00 98.57 84 A 1 ATOM 679 C CB . GLN A 0 84 . -5.843 2.900 -4.981 1.00 98.57 84 A 1 ATOM 680 O O . GLN A 0 84 . -4.081 1.473 -7.334 1.00 98.57 84 A 1 ATOM 681 C CG . GLN A 0 84 . -6.435 4.283 -4.690 1.00 98.57 84 A 1 ATOM 682 C CD . GLN A 0 84 . -5.675 5.448 -5.319 1.00 98.57 84 A 1 ATOM 683 N NE2 . GLN A 0 84 . -6.270 6.616 -5.294 1.00 98.57 84 A 1 ATOM 684 O OE1 . GLN A 0 84 . -4.546 5.353 -5.809 1.00 98.57 84 A 1 ATOM 685 N N . LYS A 0 85 . -5.609 0.067 -6.444 1.00 97.84 85 A 1 ATOM 686 C CA . LYS A 0 85 . -4.942 -1.195 -6.766 1.00 97.84 85 A 1 ATOM 687 C C . LYS A 0 85 . -4.868 -1.457 -8.257 1.00 97.84 85 A 1 ATOM 688 C CB . LYS A 0 85 . -5.653 -2.295 -5.987 1.00 97.84 85 A 1 ATOM 689 O O . LYS A 0 85 . -3.794 -1.815 -8.737 1.00 97.84 85 A 1 ATOM 690 C CG . LYS A 0 85 . -5.071 -3.701 -6.161 1.00 97.84 85 A 1 ATOM 691 C CD . LYS A 0 85 . -5.741 -4.561 -5.084 1.00 97.84 85 A 1 ATOM 692 C CE . LYS A 0 85 . -5.804 -6.050 -5.414 1.00 97.84 85 A 1 ATOM 693 N NZ . LYS A 0 85 . -7.118 -6.562 -4.942 1.00 97.84 85 A 1 ATOM 694 N N . GLU A 0 86 . -5.933 -1.194 -9.001 1.00 97.56 86 A 1 ATOM 695 C CA . GLU A 0 86 . -5.923 -1.278 -10.461 1.00 97.56 86 A 1 ATOM 696 C C . GLU A 0 86 . -4.926 -0.281 -11.075 1.00 97.56 86 A 1 ATOM 697 C CB . GLU A 0 86 . -7.343 -1.035 -10.984 1.00 97.56 86 A 1 ATOM 698 O O . GLU A 0 86 . -4.096 -0.650 -11.910 1.00 97.56 86 A 1 ATOM 699 C CG . GLU A 0 86 . -7.422 -1.341 -12.485 1.00 97.56 86 A 1 ATOM 700 C CD . GLU A 0 86 . -8.766 -0.965 -13.116 1.00 97.56 86 A 1 ATOM 701 O OE1 . GLU A 0 86 . -8.786 -0.928 -14.367 1.00 97.56 86 A 1 ATOM 702 O OE2 . GLU A 0 86 . -9.721 -0.666 -12.369 1.00 97.56 86 A 1 ATOM 703 N N . ILE A 0 87 . -4.940 0.974 -10.614 1.00 97.89 87 A 1 ATOM 704 C CA . ILE A 0 87 . -4.020 2.013 -11.100 1.00 97.89 87 A 1 ATOM 705 C C . ILE A 0 87 . -2.565 1.648 -10.785 1.00 97.89 87 A 1 ATOM 706 C CB . ILE A 0 87 . -4.407 3.391 -10.518 1.00 97.89 87 A 1 ATOM 707 O O . ILE A 0 87 . -1.706 1.737 -11.662 1.00 97.89 87 A 1 ATOM 708 C CG1 . ILE A 0 87 . -5.775 3.830 -11.084 1.00 97.89 87 A 1 ATOM 709 C CG2 . ILE A 0 87 . -3.346 4.463 -10.847 1.00 97.89 87 A 1 ATOM 710 C CD1 . ILE A 0 87 . -6.396 5.013 -10.339 1.00 97.89 87 A 1 ATOM 711 N N . ALA A 0 88 . -2.277 1.236 -9.546 1.00 96.57 88 A 1 ATOM 712 C CA . ALA A 0 88 . -0.942 0.806 -9.130 1.00 96.57 88 A 1 ATOM 713 C C . ALA A 0 88 . -0.494 -0.480 -9.839 1.00 96.57 88 A 1 ATOM 714 C CB . ALA A 0 88 . -0.936 0.608 -7.610 1.00 96.57 88 A 1 ATOM 715 O O . ALA A 0 88 . 0.688 -0.641 -10.112 1.00 96.57 88 A 1 ATOM 716 N N . GLY A 0 89 . -1.422 -1.372 -10.197 1.00 92.99 89 A 1 ATOM 717 C CA . GLY A 0 89 . -1.128 -2.624 -10.895 1.00 92.99 89 A 1 ATOM 718 C C . GLY A 0 89 . -0.309 -2.435 -12.174 1.00 92.99 89 A 1 ATOM 719 O O . GLY A 0 89 . 0.515 -3.285 -12.497 1.00 92.99 89 A 1 ATOM 720 N N . LYS A 0 90 . -0.455 -1.286 -12.847 1.00 92.91 90 A 1 ATOM 721 C CA . LYS A 0 90 . 0.303 -0.921 -14.057 1.00 92.91 90 A 1 ATOM 722 C C . LYS A 0 90 . 1.799 -0.705 -13.806 1.00 92.91 90 A 1 ATOM 723 C CB . LYS A 0 90 . -0.311 0.344 -14.677 1.00 92.91 90 A 1 ATOM 724 O O . LYS A 0 90 . 2.587 -0.846 -14.732 1.00 92.91 90 A 1 ATOM 725 C CG . LYS A 0 90 . -1.776 0.127 -15.087 1.00 92.91 90 A 1 ATOM 726 C CD . LYS A 0 90 . -2.402 1.403 -15.659 1.00 92.91 90 A 1 ATOM 727 C CE . LYS A 0 90 . -3.877 1.107 -15.963 1.00 92.91 90 A 1 ATOM 728 N NZ . LYS A 0 90 . -4.604 2.296 -16.471 1.00 92.91 90 A 1 ATOM 729 N N . THR A 0 91 . 2.186 -0.369 -12.577 1.00 92.61 91 A 1 ATOM 730 C CA . THR A 0 91 . 3.578 -0.125 -12.168 1.00 92.61 91 A 1 ATOM 731 C C . THR A 0 91 . 4.022 -1.039 -11.025 1.00 92.61 91 A 1 ATOM 732 C CB . THR A 0 91 . 3.810 1.350 -11.803 1.00 92.61 91 A 1 ATOM 733 O O . THR A 0 91 . 5.107 -0.861 -10.481 1.00 92.61 91 A 1 ATOM 734 C CG2 . THR A 0 91 . 3.511 2.294 -12.968 1.00 92.61 91 A 1 ATOM 735 O OG1 . THR A 0 91 . 2.984 1.762 -10.736 1.00 92.61 91 A 1 ATOM 736 N N . CYS A 0 92 . 3.217 -2.039 -10.655 1.00 94.36 92 A 1 ATOM 737 C CA . CYS A 0 92 . 3.504 -2.982 -9.576 1.00 94.36 92 A 1 ATOM 738 C C . CYS A 0 92 . 4.275 -4.198 -10.104 1.00 94.36 92 A 1 ATOM 739 C CB . CYS A 0 92 . 2.201 -3.366 -8.869 1.00 94.36 92 A 1 ATOM 740 O O . CYS A 0 92 . 3.748 -5.306 -10.203 1.00 94.36 92 A 1 ATOM 741 S SG . CYS A 0 92 . 2.403 -4.518 -7.479 1.00 94.36 92 A 1 ATOM 742 N N . GLN A 0 93 . 5.532 -3.977 -10.477 1.00 89.83 93 A 1 ATOM 743 C CA . GLN A 0 93 . 6.383 -5.016 -11.065 1.00 89.83 93 A 1 ATOM 744 C C . GLN A 0 93 . 7.291 -5.700 -10.031 1.00 89.83 93 A 1 ATOM 745 C CB . GLN A 0 93 . 7.175 -4.371 -12.198 1.00 89.83 93 A 1 ATOM 746 O O . GLN A 0 93 . 7.663 -6.848 -10.229 1.00 89.83 93 A 1 ATOM 747 C CG . GLN A 0 93 . 6.297 -3.988 -13.404 1.00 89.83 93 A 1 ATOM 748 C CD . GLN A 0 93 . 7.039 -3.196 -14.480 1.00 89.83 93 A 1 ATOM 749 N NE2 . GLN A 0 93 . 7.093 -3.650 -15.707 1.00 89.83 93 A 1 ATOM 750 O OE1 . GLN A 0 93 . 7.553 -2.122 -14.260 1.00 89.83 93 A 1 ATOM 751 N N . ARG A 0 94 . 7.586 -5.033 -8.903 1.00 92.02 94 A 1 ATOM 752 C CA . ARG A 0 94 . 8.443 -5.550 -7.816 1.00 92.02 94 A 1 ATOM 753 C C . ARG A 0 94 . 9.873 -5.926 -8.243 1.00 92.02 94 A 1 ATOM 754 C CB . ARG A 0 94 . 7.736 -6.661 -7.014 1.00 92.02 94 A 1 ATOM 755 O O . ARG A 0 94 . 10.521 -6.730 -7.581 1.00 92.02 94 A 1 ATOM 756 C CG . ARG A 0 94 . 6.462 -6.186 -6.300 1.00 92.02 94 A 1 ATOM 757 C CD . ARG A 0 94 . 5.925 -7.323 -5.421 1.00 92.02 94 A 1 ATOM 758 N NE . ARG A 0 94 . 4.789 -6.912 -4.569 1.00 92.02 94 A 1 ATOM 759 N NH1 . ARG A 0 94 . 3.109 -7.424 -6.028 1.00 92.02 94 A 1 ATOM 760 N NH2 . ARG A 0 94 . 2.596 -6.671 -3.985 1.00 92.02 94 A 1 ATOM 761 C CZ . ARG A 0 94 . 3.507 -7.001 -4.859 1.00 92.02 94 A 1 ATOM 762 N N . GLU A 0 95 . 10.390 -5.310 -9.306 1.00 91.15 95 A 1 ATOM 763 C CA . GLU A 0 95 . 11.796 -5.467 -9.696 1.00 91.15 95 A 1 ATOM 764 C C . GLU A 0 95 . 12.700 -4.567 -8.850 1.00 91.15 95 A 1 ATOM 765 C CB . GLU A 0 95 . 12.040 -5.156 -11.174 1.00 91.15 95 A 1 ATOM 766 O O . GLU A 0 95 . 12.386 -3.408 -8.581 1.00 91.15 95 A 1 ATOM 767 C CG . GLU A 0 95 . 11.182 -5.972 -12.155 1.00 91.15 95 A 1 ATOM 768 C CD . GLU A 0 95 . 11.562 -7.458 -12.180 1.00 91.15 95 A 1 ATOM 769 O OE1 . GLU A 0 95 . 10.745 -8.251 -12.695 1.00 91.15 95 A 1 ATOM 770 O OE2 . GLU A 0 95 . 12.688 -7.781 -11.728 1.00 91.15 95 A 1 ATOM 771 N N . TRP A 0 96 . 13.859 -5.086 -8.458 1.00 90.18 96 A 1 ATOM 772 C CA . TRP A 0 96 . 14.784 -4.408 -7.544 1.00 90.18 96 A 1 ATOM 773 C C . TRP A 0 96 . 15.524 -3.209 -8.168 1.00 90.18 96 A 1 ATOM 774 C CB . TRP A 0 96 . 15.780 -5.456 -7.039 1.00 90.18 96 A 1 ATOM 775 O O . TRP A 0 96 . 16.041 -2.361 -7.447 1.00 90.18 96 A 1 ATOM 776 C CG . TRP A 0 96 . 16.679 -6.005 -8.105 1.00 90.18 96 A 1 ATOM 777 C CD1 . TRP A 0 96 . 16.443 -7.097 -8.870 1.00 90.18 96 A 1 ATOM 778 C CD2 . TRP A 0 96 . 17.943 -5.449 -8.578 1.00 90.18 96 A 1 ATOM 779 C CE2 . TRP A 0 96 . 18.420 -6.261 -9.649 1.00 90.18 96 A 1 ATOM 780 C CE3 . TRP A 0 96 . 18.720 -4.325 -8.221 1.00 90.18 96 A 1 ATOM 781 N NE1 . TRP A 0 96 . 17.473 -7.255 -9.777 1.00 90.18 96 A 1 ATOM 782 C CH2 . TRP A 0 96 . 20.357 -4.845 -9.958 1.00 90.18 96 A 1 ATOM 783 C CZ2 . TRP A 0 96 . 19.606 -5.970 -10.338 1.00 90.18 96 A 1 ATOM 784 C CZ3 . TRP A 0 96 . 19.914 -4.026 -8.903 1.00 90.18 96 A 1 ATOM 785 N N . TYR A 0 97 . 15.609 -3.118 -9.499 1.00 89.54 97 A 1 ATOM 786 C CA . TYR A 0 97 . 16.420 -2.101 -10.187 1.00 89.54 97 A 1 ATOM 787 C C . TYR A 0 97 . 15.631 -0.858 -10.621 1.00 89.54 97 A 1 ATOM 788 C CB . TYR A 0 97 . 17.167 -2.746 -11.362 1.00 89.54 97 A 1 ATOM 789 O O . TYR A 0 97 . 16.225 0.119 -11.084 1.00 89.54 97 A 1 ATOM 790 C CG . TYR A 0 97 . 16.281 -3.455 -12.367 1.00 89.54 97 A 1 ATOM 791 C CD1 . TYR A 0 97 . 15.989 -4.821 -12.190 1.00 89.54 97 A 1 ATOM 792 C CD2 . TYR A 0 97 . 15.745 -2.756 -13.465 1.00 89.54 97 A 1 ATOM 793 C CE1 . TYR A 0 97 . 15.157 -5.492 -13.104 1.00 89.54 97 A 1 ATOM 794 C CE2 . TYR A 0 97 . 14.919 -3.428 -14.388 1.00 89.54 97 A 1 ATOM 795 O OH . TYR A 0 97 . 13.810 -5.440 -15.083 1.00 89.54 97 A 1 ATOM 796 C CZ . TYR A 0 97 . 14.621 -4.795 -14.206 1.00 89.54 97 A 1 ATOM 797 N N . MET A 0 98 . 14.309 -0.853 -10.460 1.00 91.64 98 A 1 ATOM 798 C CA . MET A 0 98 . 13.445 0.215 -10.966 1.00 91.64 98 A 1 ATOM 799 C C . MET A 0 98 . 12.417 0.669 -9.938 1.00 91.64 98 A 1 ATOM 800 C CB . MET A 0 98 . 12.788 -0.238 -12.273 1.00 91.64 98 A 1 ATOM 801 O O . MET A 0 98 . 12.158 -0.007 -8.945 1.00 91.64 98 A 1 ATOM 802 C CG . MET A 0 98 . 11.709 -1.279 -12.021 1.00 91.64 98 A 1 ATOM 803 S SD . MET A 0 98 . 11.282 -2.183 -13.513 1.00 91.64 98 A 1 ATOM 804 C CE . MET A 0 98 . 9.845 -2.966 -12.811 1.00 91.64 98 A 1 ATOM 805 N N . ASP A 0 99 . 11.831 1.832 -10.199 1.00 94.35 99 A 1 ATOM 806 C CA . ASP A 0 99 . 10.748 2.370 -9.391 1.00 94.35 99 A 1 ATOM 807 C C . ASP A 0 99 . 9.458 1.590 -9.630 1.00 94.35 99 A 1 ATOM 808 C CB . ASP A 0 99 . 10.561 3.861 -9.689 1.00 94.35 99 A 1 ATOM 809 O O . ASP A 0 99 . 9.064 1.347 -10.773 1.00 94.35 99 A 1 ATOM 810 C CG . ASP A 0 99 . 11.815 4.630 -9.295 1.00 94.35 99 A 1 ATOM 811 O OD1 . ASP A 0 99 . 12.059 4.783 -8.087 1.00 94.35 99 A 1 ATOM 812 O OD2 . ASP A 0 99 . 12.661 4.959 -10.148 1.00 94.35 99 A 1 ATOM 813 N N . TRP A 0 100 . 8.772 1.226 -8.552 1.00 95.76 100 A 1 ATOM 814 C CA . TRP A 0 100 . 7.470 0.577 -8.645 1.00 95.76 100 A 1 ATOM 815 C C . TRP A 0 100 . 6.552 0.993 -7.505 1.00 95.76 100 A 1 ATOM 816 C CB . TRP A 0 100 . 7.627 -0.946 -8.747 1.00 95.76 100 A 1 ATOM 817 O O . TRP A 0 100 . 6.991 1.404 -6.429 1.00 95.76 100 A 1 ATOM 818 C CG . TRP A 0 100 . 8.411 -1.627 -7.682 1.00 95.76 100 A 1 ATOM 819 C CD1 . TRP A 0 100 . 9.701 -2.005 -7.788 1.00 95.76 100 A 1 ATOM 820 C CD2 . TRP A 0 100 . 7.978 -2.032 -6.350 1.00 95.76 100 A 1 ATOM 821 C CE2 . TRP A 0 100 . 9.065 -2.701 -5.711 1.00 95.76 100 A 1 ATOM 822 C CE3 . TRP A 0 100 . 6.779 -1.900 -5.617 1.00 95.76 100 A 1 ATOM 823 N NE1 . TRP A 0 100 . 10.088 -2.654 -6.636 1.00 95.76 100 A 1 ATOM 824 C CH2 . TRP A 0 100 . 7.757 -3.071 -3.710 1.00 95.76 100 A 1 ATOM 825 C CZ2 . TRP A 0 100 . 8.961 -3.227 -4.416 1.00 95.76 100 A 1 ATOM 826 C CZ3 . TRP A 0 100 . 6.672 -2.406 -4.309 1.00 95.76 100 A 1 ATOM 827 N N . ARG A 0 101 . 5.245 0.868 -7.749 1.00 96.39 101 A 1 ATOM 828 C CA . ARG A 0 101 . 4.207 1.121 -6.750 1.00 96.39 101 A 1 ATOM 829 C C . ARG A 0 101 . 3.215 -0.026 -6.745 1.00 96.39 101 A 1 ATOM 830 C CB . ARG A 0 101 . 3.521 2.467 -7.022 1.00 96.39 101 A 1 ATOM 831 O O . ARG A 0 101 . 2.639 -0.339 -7.777 1.00 96.39 101 A 1 ATOM 832 C CG . ARG A 0 101 . 2.580 2.860 -5.871 1.00 96.39 101 A 1 ATOM 833 C CD . ARG A 0 101 . 1.822 4.162 -6.168 1.00 96.39 101 A 1 ATOM 834 N NE . ARG A 0 101 . 0.650 3.936 -7.049 1.00 96.39 101 A 1 ATOM 835 N NH1 . ARG A 0 101 . -0.816 5.415 -6.058 1.00 96.39 101 A 1 ATOM 836 N NH2 . ARG A 0 101 . -1.552 4.095 -7.668 1.00 96.39 101 A 1 ATOM 837 C CZ . ARG A 0 101 . -0.553 4.482 -6.930 1.00 96.39 101 A 1 ATOM 838 N N . CYS A 0 102 . 2.973 -0.602 -5.579 1.00 97.25 102 A 1 ATOM 839 C CA . CYS A 0 102 . 1.978 -1.643 -5.365 1.00 97.25 102 A 1 ATOM 840 C C . CYS A 0 102 . 0.948 -1.182 -4.337 1.00 97.25 102 A 1 ATOM 841 C CB . CYS A 0 102 . 2.686 -2.925 -4.930 1.00 97.25 102 A 1 ATOM 842 O O . CYS A 0 102 . 1.267 -0.437 -3.413 1.00 97.25 102 A 1 ATOM 843 S SG . CYS A 0 102 . 3.737 -3.661 -6.206 1.00 97.25 102 A 1 ATOM 844 N N . VAL A 0 103 . -0.292 -1.635 -4.499 1.00 98.19 103 A 1 ATOM 845 C CA . VAL A 0 103 . -1.368 -1.410 -3.533 1.00 98.19 103 A 1 ATOM 846 C C . VAL A 0 103 . -1.986 -2.755 -3.178 1.00 98.19 103 A 1 ATOM 847 C CB . VAL A 0 103 . -2.397 -0.402 -4.063 1.00 98.19 103 A 1 ATOM 848 O O . VAL A 0 103 . -2.275 -3.575 -4.051 1.00 98.19 103 A 1 ATOM 849 C CG1 . VAL A 0 103 . -3.694 -0.374 -3.249 1.00 98.19 103 A 1 ATOM 850 C CG2 . VAL A 0 103 . -1.830 1.021 -4.081 1.00 98.19 103 A 1 ATOM 851 N N . GLU A 0 104 . -2.157 -2.970 -1.883 1.00 97.74 104 A 1 ATOM 852 C CA . GLU A 0 104 . -2.727 -4.165 -1.275 1.00 97.74 104 A 1 ATOM 853 C C . GLU A 0 104 . -3.962 -3.755 -0.473 1.00 97.74 104 A 1 ATOM 854 C CB . GLU A 0 104 . -1.662 -4.866 -0.409 1.00 97.74 104 A 1 ATOM 855 O O . GLU A 0 104 . -3.921 -2.787 0.288 1.00 97.74 104 A 1 ATOM 856 C CG . GLU A 0 104 . -0.570 -5.487 -1.295 1.00 97.74 104 A 1 ATOM 857 C CD . GLU A 0 104 . 0.705 -5.939 -0.570 1.00 97.74 104 A 1 ATOM 858 O OE1 . GLU A 0 104 . 1.701 -6.131 -1.302 1.00 97.74 104 A 1 ATOM 859 O OE2 . GLU A 0 104 . 0.742 -6.134 0.665 1.00 97.74 104 A 1 ATOM 860 N N . CYS A 0 105 . -5.053 -4.492 -0.675 1.00 98.40 105 A 1 ATOM 861 C CA . CYS A 0 105 . -6.345 -4.276 -0.034 1.00 98.40 105 A 1 ATOM 862 C C . CYS A 0 105 . -6.708 -5.527 0.759 1.00 98.40 105 A 1 ATOM 863 C CB . CYS A 0 105 . -7.411 -3.974 -1.098 1.00 98.40 105 A 1 ATOM 864 O O . CYS A 0 105 . -6.539 -6.643 0.257 1.00 98.40 105 A 1 ATOM 865 S SG . CYS A 0 105 . -7.055 -2.498 -2.075 1.00 98.40 105 A 1 ATOM 866 N N . CYS A 0 106 . -7.210 -5.348 1.974 1.00 98.37 106 A 1 ATOM 867 C CA . CYS A 0 106 . -7.767 -6.427 2.781 1.00 98.37 106 A 1 ATOM 868 C C . CYS A 0 106 . -8.939 -5.909 3.616 1.00 98.37 106 A 1 ATOM 869 C CB . CYS A 0 106 . -6.665 -7.059 3.643 1.00 98.37 106 A 1 ATOM 870 O O . CYS A 0 106 . -9.075 -4.706 3.835 1.00 98.37 106 A 1 ATOM 871 S SG . CYS A 0 106 . -5.930 -5.974 4.890 1.00 98.37 106 A 1 ATOM 872 N N . GLN A 0 107 . -9.780 -6.828 4.075 1.00 97.03 107 A 1 ATOM 873 C CA . GLN A 0 107 . -10.901 -6.539 4.963 1.00 97.03 107 A 1 ATOM 874 C C . GLN A 0 107 . -10.727 -7.354 6.240 1.00 97.03 107 A 1 ATOM 875 C CB . GLN A 0 107 . -12.225 -6.883 4.270 1.00 97.03 107 A 1 ATOM 876 O O . GLN A 0 107 . -10.332 -8.521 6.178 1.00 97.03 107 A 1 ATOM 877 C CG . GLN A 0 107 . -12.447 -6.059 2.996 1.00 97.03 107 A 1 ATOM 878 C CD . GLN A 0 107 . -13.790 -6.356 2.346 1.00 97.03 107 A 1 ATOM 879 N NE2 . GLN A 0 107 . -14.478 -5.358 1.843 1.00 97.03 107 A 1 ATOM 880 O OE1 . GLN A 0 107 . -14.236 -7.488 2.248 1.00 97.03 107 A 1 ATOM 881 N N . GLY A 0 108 . -11.029 -6.742 7.379 1.00 94.60 108 A 1 ATOM 882 C CA . GLY A 0 108 . -10.887 -7.356 8.693 1.00 94.60 108 A 1 ATOM 883 C C . GLY A 0 108 . -9.995 -6.547 9.626 1.00 94.60 108 A 1 ATOM 884 O O . GLY A 0 108 . -9.229 -5.682 9.203 1.00 94.60 108 A 1 ATOM 885 N N . GLU A 0 109 . -10.109 -6.854 10.911 1.00 96.16 109 A 1 ATOM 886 C CA . GLU A 0 109 . -9.380 -6.175 11.976 1.00 96.16 109 A 1 ATOM 887 C C . GLU A 0 109 . -7.867 -6.331 11.797 1.00 96.16 109 A 1 ATOM 888 C CB . GLU A 0 109 . -9.869 -6.747 13.309 1.00 96.16 109 A 1 ATOM 889 O O . GLU A 0 109 . -7.347 -7.445 11.694 1.00 96.16 109 A 1 ATOM 890 C CG . GLU A 0 109 . -9.341 -5.989 14.532 1.00 96.16 109 A 1 ATOM 891 C CD . GLU A 0 109 . -9.982 -6.492 15.838 1.00 96.16 109 A 1 ATOM 892 O OE1 . GLU A 0 109 . -9.786 -5.820 16.871 1.00 96.16 109 A 1 ATOM 893 O OE2 . GLU A 0 109 . -10.651 -7.553 15.801 1.00 96.16 109 A 1 ATOM 894 N N . LEU A 0 110 . -7.167 -5.196 11.717 1.00 97.45 110 A 1 ATOM 895 C CA . LEU A 0 110 . -5.710 -5.097 11.639 1.00 97.45 110 A 1 ATOM 896 C C . LEU A 0 110 . -5.090 -5.962 10.520 1.00 97.45 110 A 1 ATOM 897 C CB . LEU A 0 110 . -5.137 -5.343 13.049 1.00 97.45 110 A 1 ATOM 898 O O . LEU A 0 110 . -3.920 -6.349 10.579 1.00 97.45 110 A 1 ATOM 899 C CG . LEU A 0 110 . -5.625 -4.356 14.130 1.00 97.45 110 A 1 ATOM 900 C CD1 . LEU A 0 110 . -4.984 -4.721 15.468 1.00 97.45 110 A 1 ATOM 901 C CD2 . LEU A 0 110 . -5.262 -2.908 13.798 1.00 97.45 110 A 1 ATOM 902 N N . CYS A 0 111 . -5.855 -6.245 9.458 1.00 98.03 111 A 1 ATOM 903 C CA . CYS A 0 111 . -5.467 -7.191 8.407 1.00 98.03 111 A 1 ATOM 904 C C . CYS A 0 111 . -4.262 -6.715 7.583 1.00 98.03 111 A 1 ATOM 905 C CB . CYS A 0 111 . -6.681 -7.450 7.505 1.00 98.03 111 A 1 ATOM 906 O O . CYS A 0 111 . -3.544 -7.517 6.984 1.00 98.03 111 A 1 ATOM 907 S SG . CYS A 0 111 . -7.221 -6.050 6.477 1.00 98.03 111 A 1 ATOM 908 N N . ASN A 0 112 . -4.017 -5.403 7.555 1.00 97.95 112 A 1 ATOM 909 C CA . ASN A 0 112 . -2.952 -4.780 6.780 1.00 97.95 112 A 1 ATOM 910 C C . ASN A 0 112 . -1.618 -4.725 7.538 1.00 97.95 112 A 1 ATOM 911 C CB . ASN A 0 112 . -3.419 -3.413 6.253 1.00 97.95 112 A 1 ATOM 912 O O . ASN A 0 112 . -0.819 -3.825 7.287 1.00 97.95 112 A 1 ATOM 913 C CG . ASN A 0 112 . -3.560 -2.345 7.324 1.00 97.95 112 A 1 ATOM 914 N ND2 . ASN A 0 112 . -3.435 -1.089 6.957 1.00 97.95 112 A 1 ATOM 915 O OD1 . ASN A 0 112 . -3.801 -2.617 8.487 1.00 97.95 112 A 1 ATOM 916 N N . TYR A 0 113 . -1.352 -5.660 8.455 1.00 98.13 113 A 1 ATOM 917 C CA . TYR A 0 113 . -0.083 -5.712 9.185 1.00 98.13 113 A 1 ATOM 918 C C . TYR A 0 113 . 1.113 -5.881 8.244 1.00 98.13 113 A 1 ATOM 919 C CB . TYR A 0 113 . -0.107 -6.865 10.194 1.00 98.13 113 A 1 ATOM 920 O O . TYR A 0 113 . 2.088 -5.139 8.333 1.00 98.13 113 A 1 ATOM 921 C CG . TYR A 0 113 . 1.144 -6.925 11.052 1.00 98.13 113 A 1 ATOM 922 C CD1 . TYR A 0 113 . 2.210 -7.775 10.711 1.00 98.13 113 A 1 ATOM 923 C CD2 . TYR A 0 113 . 1.253 -6.111 12.189 1.00 98.13 113 A 1 ATOM 924 C CE1 . TYR A 0 113 . 3.368 -7.816 11.513 1.00 98.13 113 A 1 ATOM 925 C CE2 . TYR A 0 113 . 2.391 -6.155 13.008 1.00 98.13 113 A 1 ATOM 926 O OH . TYR A 0 113 . 4.556 -7.066 13.461 1.00 98.13 113 A 1 ATOM 927 C CZ . TYR A 0 113 . 3.455 -7.012 12.669 1.00 98.13 113 A 1 ATOM 928 N N . TYR A 0 114 . 1.039 -6.835 7.315 1.00 96.41 114 A 1 ATOM 929 C CA . TYR A 0 114 . 2.132 -7.147 6.394 1.00 96.41 114 A 1 ATOM 930 C C . TYR A 0 114 . 2.138 -6.229 5.161 1.00 96.41 114 A 1 ATOM 931 C CB . TYR A 0 114 . 2.096 -8.642 6.040 1.00 96.41 114 A 1 ATOM 932 O O . TYR A 0 114 . 1.179 -5.511 4.880 1.00 96.41 114 A 1 ATOM 933 C CG . TYR A 0 114 . 2.274 -9.551 7.245 1.00 96.41 114 A 1 ATOM 934 C CD1 . TYR A 0 114 . 3.535 -9.661 7.867 1.00 96.41 114 A 1 ATOM 935 C CD2 . TYR A 0 114 . 1.174 -10.263 7.765 1.00 96.41 114 A 1 ATOM 936 C CE1 . TYR A 0 114 . 3.697 -10.471 9.009 1.00 96.41 114 A 1 ATOM 937 C CE2 . TYR A 0 114 . 1.333 -11.075 8.905 1.00 96.41 114 A 1 ATOM 938 O OH . TYR A 0 114 . 2.730 -11.953 10.638 1.00 96.41 114 A 1 ATOM 939 C CZ . TYR A 0 114 . 2.592 -11.179 9.531 1.00 96.41 114 A 1 ATOM 940 N N . ALA A 0 115 . 3.258 -6.223 4.440 1.00 95.08 115 A 1 ATOM 941 C CA . ALA A 0 115 . 3.408 -5.550 3.154 1.00 95.08 115 A 1 ATOM 942 C C . ALA A 0 115 . 4.249 -6.439 2.233 1.00 95.08 115 A 1 ATOM 943 C CB . ALA A 0 115 . 4.066 -4.189 3.389 1.00 95.08 115 A 1 ATOM 944 O O . ALA A 0 115 . 5.370 -6.816 2.590 1.00 95.08 115 A 1 ATOM 945 N N . THR A 0 116 . 3.717 -6.801 1.066 1.00 92.93 116 A 1 ATOM 946 C CA . THR A 0 116 . 4.361 -7.796 0.198 1.00 92.93 116 A 1 ATOM 947 C C . THR A 0 116 . 5.392 -7.142 -0.720 1.00 92.93 116 A 1 ATOM 948 C CB . THR A 0 116 . 3.339 -8.607 -0.610 1.00 92.93 116 A 1 ATOM 949 O O . THR A 0 116 . 5.052 -6.514 -1.725 1.00 92.93 116 A 1 ATOM 950 C CG2 . THR A 0 116 . 3.965 -9.854 -1.221 1.00 92.93 116 A 1 ATOM 951 O OG1 . THR A 0 116 . 2.272 -9.019 0.211 1.00 92.93 116 A 1 ATOM 952 N N . LEU A 0 117 . 6.678 -7.320 -0.405 1.00 88.31 117 A 1 ATOM 953 C CA . LEU A 0 117 . 7.786 -6.771 -1.203 1.00 88.31 117 A 1 ATOM 954 C C . LEU A 0 117 . 8.155 -7.626 -2.418 1.00 88.31 117 A 1 ATOM 955 C CB . LEU A 0 117 . 9.024 -6.576 -0.313 1.00 88.31 117 A 1 ATOM 956 O O . LEU A 0 117 . 8.659 -7.103 -3.404 1.00 88.31 117 A 1 ATOM 957 C CG . LEU A 0 117 . 8.827 -5.626 0.880 1.00 88.31 117 A 1 ATOM 958 C CD1 . LEU A 0 117 . 10.159 -5.465 1.611 1.00 88.31 117 A 1 ATOM 959 C CD2 . LEU A 0 117 . 8.331 -4.243 0.454 1.00 88.31 117 A 1 ATOM 960 N N . SER A 0 118 . 7.888 -8.930 -2.365 1.00 82.40 118 A 1 ATOM 961 C CA . SER A 0 118 . 8.136 -9.862 -3.462 1.00 82.40 118 A 1 ATOM 962 C C . SER A 0 118 . 7.023 -10.897 -3.519 1.00 82.40 118 A 1 ATOM 963 C CB . SER A 0 118 . 9.500 -10.532 -3.307 1.00 82.40 118 A 1 ATOM 964 O O . SER A 0 118 . 6.513 -11.341 -2.492 1.00 82.40 118 A 1 ATOM 965 O OG . SER A 0 118 . 9.716 -11.415 -4.390 1.00 82.40 118 A 1 ATOM 966 N N . GLY A 0 119 . 6.636 -11.263 -4.731 1.00 72.24 119 A 1 ATOM 967 C CA . GLY A 0 119 . 5.661 -12.304 -4.992 1.00 72.24 119 A 1 ATOM 968 C C . GLY A 0 119 . 5.751 -12.699 -6.454 1.00 72.24 119 A 1 ATOM 969 O O . GLY A 0 119 . 5.836 -11.838 -7.326 1.00 72.24 119 A 1 ATOM 970 N N . TYR A 0 120 . 5.738 -13.997 -6.725 1.00 67.19 120 A 1 ATOM 971 C CA . TYR A 0 120 . 5.676 -14.523 -8.081 1.00 67.19 120 A 1 ATOM 972 C C . TYR A 0 120 . 4.246 -14.987 -8.359 1.00 67.19 120 A 1 ATOM 973 C CB . TYR A 0 120 . 6.746 -15.604 -8.282 1.00 67.19 120 A 1 ATOM 974 O O . TYR A 0 120 . 3.597 -15.604 -7.513 1.00 67.19 120 A 1 ATOM 975 C CG . TYR A 0 120 . 6.644 -16.797 -7.350 1.00 67.19 120 A 1 ATOM 976 C CD1 . TYR A 0 120 . 7.139 -16.718 -6.032 1.00 67.19 120 A 1 ATOM 977 C CD2 . TYR A 0 120 . 6.086 -18.000 -7.818 1.00 67.19 120 A 1 ATOM 978 C CE1 . TYR A 0 120 . 7.024 -17.820 -5.163 1.00 67.19 120 A 1 ATOM 979 C CE2 . TYR A 0 120 . 6.016 -19.116 -6.964 1.00 67.19 120 A 1 ATOM 980 O OH . TYR A 0 120 . 6.332 -20.099 -4.811 1.00 67.19 120 A 1 ATOM 981 C CZ . TYR A 0 120 . 6.449 -19.021 -5.629 1.00 67.19 120 A 1 ATOM 982 N N . ARG A 0 121 . 3.717 -14.658 -9.541 1.00 66.12 121 A 1 ATOM 983 C CA . ARG A 0 121 . 2.421 -15.181 -9.985 1.00 66.12 121 A 1 ATOM 984 C C . ARG A 0 121 . 2.648 -16.554 -10.597 1.00 66.12 121 A 1 ATOM 985 C CB . ARG A 0 121 . 1.738 -14.228 -10.977 1.00 66.12 121 A 1 ATOM 986 O O . ARG A 0 121 . 3.276 -16.661 -11.646 1.00 66.12 121 A 1 ATOM 987 C CG . ARG A 0 121 . 1.202 -12.966 -10.287 1.00 66.12 121 A 1 ATOM 988 C CD . ARG A 0 121 . 0.441 -12.095 -11.295 1.00 66.12 121 A 1 ATOM 989 N NE . ARG A 0 121 . -0.114 -10.880 -10.664 1.00 66.12 121 A 1 ATOM 990 N NH1 . ARG A 0 121 . -2.075 -11.781 -9.867 1.00 66.12 121 A 1 ATOM 991 N NH2 . ARG A 0 121 . -1.646 -9.615 -9.557 1.00 66.12 121 A 1 ATOM 992 C CZ . ARG A 0 121 . -1.271 -10.767 -10.034 1.00 66.12 121 A 1 ATOM 993 N N . ILE A 0 122 . 2.118 -17.592 -9.961 1.00 68.95 122 A 1 ATOM 994 C CA . ILE A 0 122 . 2.050 -18.916 -10.574 1.00 68.95 122 A 1 ATOM 995 C C . ILE A 0 122 . 0.820 -18.926 -11.474 1.00 68.95 122 A 1 ATOM 996 C CB . ILE A 0 122 . 2.010 -20.051 -9.530 1.00 68.95 122 A 1 ATOM 997 O O . ILE A 0 122 . -0.315 -18.913 -10.996 1.00 68.95 122 A 1 ATOM 998 C CG1 . ILE A 0 122 . 3.146 -19.911 -8.495 1.00 68.95 122 A 1 ATOM 999 C CG2 . ILE A 0 122 . 2.108 -21.405 -10.261 1.00 68.95 122 A 1 ATOM 1000 C CD1 . ILE A 0 122 . 3.052 -20.943 -7.364 1.00 68.95 122 A 1 ATOM 1001 N N . TYR A 0 123 . 1.038 -18.937 -12.784 1.00 71.96 123 A 1 ATOM 1002 C CA . TYR A 0 123 . -0.024 -19.253 -13.727 1.00 71.96 123 A 1 ATOM 1003 C C . TYR A 0 123 . -0.212 -20.764 -13.713 1.00 71.96 123 A 1 ATOM 1004 C CB . TYR A 0 123 . 0.299 -18.698 -15.116 1.00 71.96 123 A 1 ATOM 1005 O O . TYR A 0 123 . 0.541 -21.506 -14.338 1.00 71.96 123 A 1 ATOM 1006 C CG . TYR A 0 123 . 0.316 -17.183 -15.150 1.00 71.96 123 A 1 ATOM 1007 C CD1 . TYR A 0 123 . -0.887 -16.467 -15.302 1.00 71.96 123 A 1 ATOM 1008 C CD2 . TYR A 0 123 . 1.534 -16.492 -15.006 1.00 71.96 123 A 1 ATOM 1009 C CE1 . TYR A 0 123 . -0.871 -15.058 -15.316 1.00 71.96 123 A 1 ATOM 1010 C CE2 . TYR A 0 123 . 1.557 -15.086 -15.030 1.00 71.96 123 A 1 ATOM 1011 O OH . TYR A 0 123 . 0.370 -13.010 -15.209 1.00 71.96 123 A 1 ATOM 1012 C CZ . TYR A 0 123 . 0.353 -14.368 -15.188 1.00 71.96 123 A 1 ATOM 1013 N N . LEU A 0 124 . -1.193 -21.225 -12.944 1.00 72.55 124 A 1 ATOM 1014 C CA . LEU A 0 124 . -1.644 -22.602 -13.043 1.00 72.55 124 A 1 ATOM 1015 C C . LEU A 0 124 . -2.458 -22.738 -14.331 1.00 72.55 124 A 1 ATOM 1016 C CB . LEU A 0 124 . -2.452 -22.978 -11.795 1.00 72.55 124 A 1 ATOM 1017 O O . LEU A 0 124 . -3.533 -22.144 -14.457 1.00 72.55 124 A 1 ATOM 1018 C CG . LEU A 0 124 . -1.636 -23.039 -10.490 1.00 72.55 124 A 1 ATOM 1019 C CD1 . LEU A 0 124 . -2.569 -23.313 -9.310 1.00 72.55 124 A 1 ATOM 1020 C CD2 . LEU A 0 124 . -0.566 -24.134 -10.515 1.00 72.55 124 A 1 ATOM 1021 N N . ASP A 0 125 . -1.936 -23.494 -15.295 1.00 82.72 125 A 1 ATOM 1022 C CA . ASP A 0 125 . -2.685 -23.823 -16.503 1.00 82.72 125 A 1 ATOM 1023 C C . ASP A 0 125 . -3.907 -24.669 -16.120 1.00 82.72 125 A 1 ATOM 1024 C CB . ASP A 0 125 . -1.791 -24.516 -17.541 1.00 82.72 125 A 1 ATOM 1025 O O . ASP A 0 125 . -3.797 -25.795 -15.626 1.00 82.72 125 A 1 ATOM 1026 C CG . ASP A 0 125 . -2.529 -24.817 -18.857 1.00 82.72 125 A 1 ATOM 1027 O OD1 . ASP A 0 125 . -3.756 -24.558 -18.945 1.00 82.72 125 A 1 ATOM 1028 O OD2 . ASP A 0 125 . -1.875 -25.344 -19.774 1.00 82.72 125 A 1 ATOM 1029 N N . LYS A 0 126 . -5.096 -24.106 -16.350 1.00 86.16 126 A 1 ATOM 1030 C CA . LYS A 0 126 . -6.371 -24.766 -16.060 1.00 86.16 126 A 1 ATOM 1031 C C . LYS A 0 126 . -6.514 -26.073 -16.836 1.00 86.16 126 A 1 ATOM 1032 C CB . LYS A 0 126 . -7.539 -23.830 -16.397 1.00 86.16 126 A 1 ATOM 1033 O O . LYS A 0 126 . -7.062 -27.028 -16.292 1.00 86.16 126 A 1 ATOM 1034 C CG . LYS A 0 126 . -7.583 -22.587 -15.496 1.00 86.16 126 A 1 ATOM 1035 C CD . LYS A 0 126 . -8.832 -21.757 -15.814 1.00 86.16 126 A 1 ATOM 1036 C CE . LYS A 0 126 . -8.899 -20.524 -14.907 1.00 86.16 126 A 1 ATOM 1037 N NZ . LYS A 0 126 . -10.134 -19.738 -15.156 1.00 86.16 126 A 1 ATOM 1038 N N . ASN A 0 127 . -6.007 -26.133 -18.069 1.00 88.02 127 A 1 ATOM 1039 C CA . ASN A 0 127 . -6.083 -27.340 -18.890 1.00 88.02 127 A 1 ATOM 1040 C C . ASN A 0 127 . -5.224 -28.455 -18.297 1.00 88.02 127 A 1 ATOM 1041 C CB . ASN A 0 127 . -5.646 -27.020 -20.323 1.00 88.02 127 A 1 ATOM 1042 O O . ASN A 0 127 . -5.668 -29.602 -18.233 1.00 88.02 127 A 1 ATOM 1043 C CG . ASN A 0 127 . -6.552 -26.006 -20.983 1.00 88.02 127 A 1 ATOM 1044 N ND2 . ASN A 0 127 . -5.990 -24.936 -21.490 1.00 88.02 127 A 1 ATOM 1045 O OD1 . ASN A 0 127 . -7.763 -26.145 -21.022 1.00 88.02 127 A 1 ATOM 1046 N N . LEU A 0 128 . -4.037 -28.108 -17.787 1.00 87.48 128 A 1 ATOM 1047 C CA . LEU A 0 128 . -3.175 -29.058 -17.092 1.00 87.48 128 A 1 ATOM 1048 C C . LEU A 0 128 . -3.874 -29.620 -15.846 1.00 87.48 128 A 1 ATOM 1049 C CB . LEU A 0 128 . -1.832 -28.387 -16.758 1.00 87.48 128 A 1 ATOM 1050 O O . LEU A 0 128 . -3.936 -30.837 -15.688 1.00 87.48 128 A 1 ATOM 1051 C CG . LEU A 0 128 . -0.805 -29.347 -16.132 1.00 87.48 128 A 1 ATOM 1052 C CD1 . LEU A 0 128 . -0.345 -30.424 -17.117 1.00 87.48 128 A 1 ATOM 1053 C CD2 . LEU A 0 128 . 0.418 -28.556 -15.670 1.00 87.48 128 A 1 ATOM 1054 N N . ILE A 0 129 . -4.479 -28.766 -15.013 1.00 89.23 129 A 1 ATOM 1055 C CA . ILE A 0 129 . -5.202 -29.216 -13.809 1.00 89.23 129 A 1 ATOM 1056 C C . ILE A 0 129 . -6.371 -30.141 -14.173 1.00 89.23 129 A 1 ATOM 1057 C CB . ILE A 0 129 . -5.663 -28.012 -12.955 1.00 89.23 129 A 1 ATOM 1058 O O . ILE A 0 129 . -6.526 -31.199 -13.566 1.00 89.23 129 A 1 ATOM 1059 C CG1 . ILE A 0 129 . -4.421 -27.292 -12.386 1.00 89.23 129 A 1 ATOM 1060 C CG2 . ILE A 0 129 . -6.584 -28.475 -11.804 1.00 89.23 129 A 1 ATOM 1061 C CD1 . ILE A 0 129 . -4.724 -26.010 -11.605 1.00 89.23 129 A 1 ATOM 1062 N N . ILE A 0 130 . -7.170 -29.782 -15.181 1.00 93.65 130 A 1 ATOM 1063 C CA . ILE A 0 130 . -8.305 -30.605 -15.623 1.00 93.65 130 A 1 ATOM 1064 C C . ILE A 0 130 . -7.819 -31.958 -16.158 1.00 93.65 130 A 1 ATOM 1065 C CB . ILE A 0 130 . -9.159 -29.832 -16.654 1.00 93.65 130 A 1 ATOM 1066 O O . ILE A 0 130 . -8.400 -32.987 -15.818 1.00 93.65 130 A 1 ATOM 1067 C CG1 . ILE A 0 130 . -9.869 -28.640 -15.968 1.00 93.65 130 A 1 ATOM 1068 C CG2 . ILE A 0 130 . -10.209 -30.750 -17.310 1.00 93.65 130 A 1 ATOM 1069 C CD1 . ILE A 0 130 . -10.447 -27.618 -16.955 1.00 93.65 130 A 1 ATOM 1070 N N . SER A 0 131 . -6.736 -31.985 -16.940 1.00 92.55 131 A 1 ATOM 1071 C CA . SER A 0 131 . -6.185 -33.232 -17.485 1.00 92.55 131 A 1 ATOM 1072 C C . SER A 0 131 . -5.711 -34.196 -16.390 1.00 92.55 131 A 1 ATOM 1073 C CB . SER A 0 131 . -5.065 -32.931 -18.488 1.00 92.55 131 A 1 ATOM 1074 O O . SER A 0 131 . -6.007 -35.389 -16.455 1.00 92.55 131 A 1 ATOM 1075 O OG . SER A 0 131 . -3.875 -32.480 -17.868 1.00 92.55 131 A 1 ATOM 1076 N N . ILE A 0 132 . -5.063 -33.676 -15.341 1.00 93.36 132 A 1 ATOM 1077 C CA . ILE A 0 132 . -4.622 -34.466 -14.184 1.00 93.36 132 A 1 ATOM 1078 C C . ILE A 0 132 . -5.837 -35.009 -13.423 1.00 93.36 132 A 1 ATOM 1079 C CB . ILE A 0 132 . -3.688 -33.620 -13.285 1.00 93.36 132 A 1 ATOM 1080 O O . ILE A 0 132 . -5.863 -36.187 -13.076 1.00 93.36 132 A 1 ATOM 1081 C CG1 . ILE A 0 132 . -2.369 -33.303 -14.031 1.00 93.36 132 A 1 ATOM 1082 C CG2 . ILE A 0 132 . -3.379 -34.351 -11.962 1.00 93.36 132 A 1 ATOM 1083 C CD1 . ILE A 0 132 . -1.514 -32.224 -13.353 1.00 93.36 132 A 1 ATOM 1084 N N . MET A 0 133 . -6.874 -34.190 -13.220 1.00 92.17 133 A 1 ATOM 1085 C CA . MET A 0 133 . -8.111 -34.627 -12.563 1.00 92.17 133 A 1 ATOM 1086 C C . MET A 0 133 . -8.827 -35.742 -13.338 1.00 92.17 133 A 1 ATOM 1087 C CB . MET A 0 133 . -9.050 -33.427 -12.368 1.00 92.17 133 A 1 ATOM 1088 O O . MET A 0 133 . -9.279 -36.710 -12.729 1.00 92.17 133 A 1 ATOM 1089 C CG . MET A 0 133 . -8.586 -32.484 -11.251 1.00 92.17 133 A 1 ATOM 1090 S SD . MET A 0 133 . -8.473 -33.205 -9.587 1.00 92.17 133 A 1 ATOM 1091 C CE . MET A 0 133 . -10.149 -33.867 -9.367 1.00 92.17 133 A 1 ATOM 1092 N N . ILE A 0 134 . -8.898 -35.645 -14.670 1.00 94.82 134 A 1 ATOM 1093 C CA . ILE A 0 134 . -9.489 -36.693 -15.518 1.00 94.82 134 A 1 ATOM 1094 C C . ILE A 0 134 . -8.674 -37.985 -15.419 1.00 94.82 134 A 1 ATOM 1095 C CB . ILE A 0 134 . -9.627 -36.209 -16.981 1.00 94.82 134 A 1 ATOM 1096 O O . ILE A 0 134 . -9.257 -39.051 -15.241 1.00 94.82 134 A 1 ATOM 1097 C CG1 . ILE A 0 134 . -10.685 -35.084 -17.069 1.00 94.82 134 A 1 ATOM 1098 C CG2 . ILE A 0 134 . -10.023 -37.368 -17.921 1.00 94.82 134 A 1 ATOM 1099 C CD1 . ILE A 0 134 . -10.686 -34.340 -18.411 1.00 94.82 134 A 1 ATOM 1100 N N . LEU A 0 135 . -7.341 -37.902 -15.482 1.00 94.90 135 A 1 ATOM 1101 C CA . LEU A 0 135 . -6.465 -39.070 -15.367 1.00 94.90 135 A 1 ATOM 1102 C C . LEU A 0 135 . -6.658 -39.797 -14.025 1.00 94.90 135 A 1 ATOM 1103 C CB . LEU A 0 135 . -5.005 -38.613 -15.540 1.00 94.90 135 A 1 ATOM 1104 O O . LEU A 0 135 . -6.731 -41.022 -14.002 1.00 94.90 135 A 1 ATOM 1105 C CG . LEU A 0 135 . -4.032 -39.784 -15.774 1.00 94.90 135 A 1 ATOM 1106 C CD1 . LEU A 0 135 . -4.021 -40.203 -17.246 1.00 94.90 135 A 1 ATOM 1107 C CD2 . LEU A 0 135 . -2.614 -39.377 -15.377 1.00 94.90 135 A 1 ATOM 1108 N N . LEU A 0 136 . -6.794 -39.048 -12.925 1.00 95.38 136 A 1 ATOM 1109 C CA . LEU A 0 136 . -7.052 -39.607 -11.594 1.00 95.38 136 A 1 ATOM 1110 C C . LEU A 0 136 . -8.423 -40.286 -11.508 1.00 95.38 136 A 1 ATOM 1111 C CB . LEU A 0 136 . -6.938 -38.493 -10.539 1.00 95.38 136 A 1 ATOM 1112 O O . LEU A 0 136 . -8.530 -41.372 -10.946 1.00 95.38 136 A 1 ATOM 1113 C CG . LEU A 0 136 . -5.508 -37.973 -10.305 1.00 95.38 136 A 1 ATOM 1114 C CD1 . LEU A 0 136 . -5.560 -36.738 -9.404 1.00 95.38 136 A 1 ATOM 1115 C CD2 . LEU A 0 136 . -4.613 -39.020 -9.640 1.00 95.38 136 A 1 ATOM 1116 N N . ILE A 0 137 . -9.467 -39.687 -12.088 1.00 95.44 137 A 1 ATOM 1117 C CA . ILE A 0 137 . -10.804 -40.297 -12.124 1.00 95.44 137 A 1 ATOM 1118 C C . ILE A 0 137 . -10.781 -41.594 -12.936 1.00 95.44 137 A 1 ATOM 1119 C CB . ILE A 0 137 . -11.848 -39.298 -12.672 1.00 95.44 137 A 1 ATOM 1120 O O . ILE A 0 137 . -11.316 -42.601 -12.485 1.00 95.44 137 A 1 ATOM 1121 C CG1 . ILE A 0 137 . -12.086 -38.156 -11.659 1.00 95.44 137 A 1 ATOM 1122 C CG2 . ILE A 0 137 . -13.189 -40.011 -12.953 1.00 95.44 137 A 1 ATOM 1123 C CD1 . ILE A 0 137 . -12.723 -36.906 -12.283 1.00 95.44 137 A 1 ATOM 1124 N N . VAL A 0 138 . -10.135 -41.588 -14.106 1.00 94.15 138 A 1 ATOM 1125 C CA . VAL A 0 138 . -9.980 -42.790 -14.936 1.00 94.15 138 A 1 ATOM 1126 C C . VAL A 0 138 . -9.220 -43.867 -14.163 1.00 94.15 138 A 1 ATOM 1127 C CB . VAL A 0 138 . -9.305 -42.440 -16.276 1.00 94.15 138 A 1 ATOM 1128 O O . VAL A 0 138 . -9.694 -44.992 -14.093 1.00 94.15 138 A 1 ATOM 1129 C CG1 . VAL A 0 138 . -8.941 -43.675 -17.109 1.00 94.15 138 A 1 ATOM 1130 C CG2 . VAL A 0 138 . -10.244 -41.587 -17.143 1.00 94.15 138 A 1 ATOM 1131 N N . TYR A 0 139 . -8.114 -43.523 -13.501 1.00 93.66 139 A 1 ATOM 1132 C CA . TYR A 0 139 . -7.352 -44.465 -12.676 1.00 93.66 139 A 1 ATOM 1133 C C . TYR A 0 139 . -8.155 -45.051 -11.503 1.00 93.66 139 A 1 ATOM 1134 C CB . TYR A 0 139 . -6.095 -43.755 -12.157 1.00 93.66 139 A 1 ATOM 1135 O O . TYR A 0 139 . -7.874 -46.157 -11.071 1.00 93.66 139 A 1 ATOM 1136 C CG . TYR A 0 139 . -5.220 -44.639 -11.291 1.00 93.66 139 A 1 ATOM 1137 C CD1 . TYR A 0 139 . -5.337 -44.593 -9.887 1.00 93.66 139 A 1 ATOM 1138 C CD2 . TYR A 0 139 . -4.341 -45.558 -11.895 1.00 93.66 139 A 1 ATOM 1139 C CE1 . TYR A 0 139 . -4.580 -45.471 -9.087 1.00 93.66 139 A 1 ATOM 1140 C CE2 . TYR A 0 139 . -3.573 -46.428 -11.099 1.00 93.66 139 A 1 ATOM 1141 O OH . TYR A 0 139 . -2.964 -47.239 -8.928 1.00 93.66 139 A 1 ATOM 1142 C CZ . TYR A 0 139 . -3.698 -46.390 -9.696 1.00 93.66 139 A 1 ATOM 1143 N N . HIS A 0 140 . -9.142 -44.334 -10.965 1.00 88.95 140 A 1 ATOM 1144 C CA . HIS A 0 140 . -9.999 -44.860 -9.898 1.00 88.95 140 A 1 ATOM 1145 C C . HIS A 0 140 . -11.193 -45.678 -10.404 1.00 88.95 140 A 1 ATOM 1146 C CB . HIS A 0 140 . -10.459 -43.701 -9.007 1.00 88.95 140 A 1 ATOM 1147 O O . HIS A 0 140 . -11.789 -46.419 -9.623 1.00 88.95 140 A 1 ATOM 1148 C CG . HIS A 0 140 . -9.389 -43.250 -8.050 1.00 88.95 140 A 1 ATOM 1149 C CD2 . HIS A 0 140 . -8.847 -41.999 -7.933 1.00 88.95 140 A 1 ATOM 1150 N ND1 . HIS A 0 140 . -8.784 -44.043 -7.103 1.00 88.95 140 A 1 ATOM 1151 C CE1 . HIS A 0 140 . -7.899 -43.289 -6.434 1.00 88.95 140 A 1 ATOM 1152 N NE2 . HIS A 0 140 . -7.903 -42.030 -6.899 1.00 88.95 140 A 1 ATOM 1153 N N . LEU A 0 141 . -11.572 -45.524 -11.675 1.00 88.30 141 A 1 ATOM 1154 C CA . LEU A 0 141 . -12.663 -46.279 -12.295 1.00 88.30 141 A 1 ATOM 1155 C C . LEU A 0 141 . -12.207 -47.618 -12.901 1.00 88.30 141 A 1 ATOM 1156 C CB . LEU A 0 141 . -13.350 -45.395 -13.353 1.00 88.30 141 A 1 ATOM 1157 O O . LEU A 0 141 . -13.067 -48.457 -13.171 1.00 88.30 141 A 1 ATOM 1158 C CG . LEU A 0 141 . -14.205 -44.248 -12.782 1.00 88.30 141 A 1 ATOM 1159 C CD1 . LEU A 0 141 . -14.684 -43.356 -13.930 1.00 88.30 141 A 1 ATOM 1160 C CD2 . LEU A 0 141 . -15.444 -44.751 -12.034 1.00 88.30 141 A 1 ATOM 1161 N N . PHE A 0 142 . -10.902 -47.813 -13.110 1.00 78.58 142 A 1 ATOM 1162 C CA . PHE A 0 142 . -10.286 -49.029 -13.657 1.00 78.58 142 A 1 ATOM 1163 C C . PHE A 0 142 . -9.339 -49.673 -12.644 1.00 78.58 142 A 1 ATOM 1164 C CB . PHE A 0 142 . -9.546 -48.689 -14.960 1.00 78.58 142 A 1 ATOM 1165 O O . PHE A 0 142 . -9.323 -50.923 -12.587 1.00 78.58 142 A 1 ATOM 1166 C CG . PHE A 0 142 . -10.452 -48.341 -16.125 1.00 78.58 142 A 1 ATOM 1167 C CD1 . PHE A 0 142 . -11.128 -49.362 -16.814 1.00 78.58 142 A 1 ATOM 1168 C CD2 . PHE A 0 142 . -10.626 -47.007 -16.528 1.00 78.58 142 A 1 ATOM 1169 C CE1 . PHE A 0 142 . -11.973 -49.049 -17.895 1.00 78.58 142 A 1 ATOM 1170 C CE2 . PHE A 0 142 . -11.484 -46.685 -17.594 1.00 78.58 142 A 1 ATOM 1171 C CZ . PHE A 0 142 . -12.155 -47.709 -18.281 1.00 78.58 142 A 1 ATOM 1172 O OXT . PHE A 0 142 . -8.627 -48.901 -11.976 1.00 78.58 142 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 89.17 # loop_ _atom_type.symbol C N O S #