data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 SER 0 3 ALA 0 4 TYR 0 5 ASN 0 6 SER 0 7 ARG 0 8 CYS 0 9 SER 0 10 MET 0 11 PHE 0 12 TYR 0 13 HIS 0 14 LEU 0 15 PRO 0 16 PRO 0 17 TYR 0 18 ARG 0 19 PHE 0 20 PRO 0 21 LEU 0 22 PRO 0 23 SER 0 24 GLN 0 25 VAL 0 26 SER 0 27 LEU 0 28 CYS 0 29 ARG 0 30 VAL 0 31 MET 0 32 GLN 0 33 PHE 0 34 GLY 0 35 ASN 0 36 PHE 0 37 PRO 0 38 ASN 0 39 VAL 0 40 CYS 0 41 PRO 0 42 ILE 0 43 HIS 0 44 SER 0 45 HIS 0 46 SER 0 47 LEU 0 48 PHE 0 49 PHE 0 50 THR 0 51 SER 0 52 SER 0 53 SER 0 54 HIS 0 55 ARG 0 56 ARG # 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 . 42.444 -5.311 -49.619 1.00 44.44 1 A 1 ATOM 2 C CA . MET A 0 1 . 42.769 -5.206 -48.183 1.00 44.44 1 A 1 ATOM 3 C C . MET A 0 1 . 41.477 -4.999 -47.427 1.00 44.44 1 A 1 ATOM 4 C CB . MET A 0 1 . 43.775 -4.081 -47.908 1.00 44.44 1 A 1 ATOM 5 O O . MET A 0 1 . 40.779 -4.027 -47.676 1.00 44.44 1 A 1 ATOM 6 C CG . MET A 0 1 . 45.203 -4.615 -48.068 1.00 44.44 1 A 1 ATOM 7 S SD . MET A 0 1 . 46.414 -3.359 -48.542 1.00 44.44 1 A 1 ATOM 8 C CE . MET A 0 1 . 47.540 -3.395 -47.120 1.00 44.44 1 A 1 ATOM 9 N N . SER A 0 2 . 41.136 -6.001 -46.624 1.00 45.08 2 A 1 ATOM 10 C CA . SER A 0 2 . 39.957 -6.076 -45.765 1.00 45.08 2 A 1 ATOM 11 C C . SER A 0 2 . 40.121 -5.222 -44.505 1.00 45.08 2 A 1 ATOM 12 C CB . SER A 0 2 . 39.770 -7.542 -45.336 1.00 45.08 2 A 1 ATOM 13 O O . SER A 0 2 . 41.235 -4.821 -44.181 1.00 45.08 2 A 1 ATOM 14 O OG . SER A 0 2 . 39.704 -8.388 -46.467 1.00 45.08 2 A 1 ATOM 15 N N . ALA A 0 3 . 39.018 -5.123 -43.757 1.00 51.62 3 A 1 ATOM 16 C CA . ALA A 0 3 . 38.872 -4.617 -42.389 1.00 51.62 3 A 1 ATOM 17 C C . ALA A 0 3 . 38.569 -3.107 -42.328 1.00 51.62 3 A 1 ATOM 18 C CB . ALA A 0 3 . 40.040 -5.088 -41.502 1.00 51.62 3 A 1 ATOM 19 O O . ALA A 0 3 . 39.246 -2.307 -42.946 1.00 51.62 3 A 1 ATOM 20 N N . TYR A 0 4 . 37.553 -2.622 -41.618 1.00 62.12 4 A 1 ATOM 21 C CA . TYR A 0 4 . 36.971 -3.164 -40.400 1.00 62.12 4 A 1 ATOM 22 C C . TYR A 0 4 . 35.588 -2.527 -40.155 1.00 62.12 4 A 1 ATOM 23 C CB . TYR A 0 4 . 37.959 -2.786 -39.284 1.00 62.12 4 A 1 ATOM 24 O O . TYR A 0 4 . 35.464 -1.309 -40.085 1.00 62.12 4 A 1 ATOM 25 C CG . TYR A 0 4 . 37.744 -3.441 -37.943 1.00 62.12 4 A 1 ATOM 26 C CD1 . TYR A 0 4 . 37.133 -2.707 -36.912 1.00 62.12 4 A 1 ATOM 27 C CD2 . TYR A 0 4 . 38.255 -4.731 -37.692 1.00 62.12 4 A 1 ATOM 28 C CE1 . TYR A 0 4 . 37.062 -3.243 -35.614 1.00 62.12 4 A 1 ATOM 29 C CE2 . TYR A 0 4 . 38.174 -5.275 -36.397 1.00 62.12 4 A 1 ATOM 30 O OH . TYR A 0 4 . 37.545 -5.046 -34.103 1.00 62.12 4 A 1 ATOM 31 C CZ . TYR A 0 4 . 37.593 -4.525 -35.354 1.00 62.12 4 A 1 ATOM 32 N N . ASN A 0 5 . 34.562 -3.380 -40.072 1.00 61.10 5 A 1 ATOM 33 C CA . ASN A 0 5 . 33.337 -3.259 -39.266 1.00 61.10 5 A 1 ATOM 34 C C . ASN A 0 5 . 33.009 -1.857 -38.702 1.00 61.10 5 A 1 ATOM 35 C CB . ASN A 0 5 . 33.503 -4.286 -38.131 1.00 61.10 5 A 1 ATOM 36 O O . ASN A 0 5 . 33.605 -1.408 -37.731 1.00 61.10 5 A 1 ATOM 37 C CG . ASN A 0 5 . 33.434 -5.706 -38.649 1.00 61.10 5 A 1 ATOM 38 N ND2 . ASN A 0 5 . 34.544 -6.406 -38.725 1.00 61.10 5 A 1 ATOM 39 O OD1 . ASN A 0 5 . 32.385 -6.185 -39.037 1.00 61.10 5 A 1 ATOM 40 N N . SER A 0 6 . 32.028 -1.138 -39.262 1.00 55.53 6 A 1 ATOM 41 C CA . SER A 0 6 . 30.645 -1.108 -38.738 1.00 55.53 6 A 1 ATOM 42 C C . SER A 0 6 . 30.520 -1.625 -37.302 1.00 55.53 6 A 1 ATOM 43 C CB . SER A 0 6 . 29.690 -1.925 -39.623 1.00 55.53 6 A 1 ATOM 44 O O . SER A 0 6 . 30.530 -2.841 -37.135 1.00 55.53 6 A 1 ATOM 45 O OG . SER A 0 6 . 29.397 -1.225 -40.810 1.00 55.53 6 A 1 ATOM 46 N N . ARG A 0 7 . 30.375 -0.723 -36.314 1.00 61.00 7 A 1 ATOM 47 C CA . ARG A 0 7 . 29.689 -0.880 -35.001 1.00 61.00 7 A 1 ATOM 48 C C . ARG A 0 7 . 30.360 0.000 -33.935 1.00 61.00 7 A 1 ATOM 49 C CB . ARG A 0 7 . 29.669 -2.334 -34.470 1.00 61.00 7 A 1 ATOM 50 O O . ARG A 0 7 . 31.136 -0.485 -33.126 1.00 61.00 7 A 1 ATOM 51 C CG . ARG A 0 7 . 28.605 -3.257 -35.102 1.00 61.00 7 A 1 ATOM 52 C CD . ARG A 0 7 . 29.094 -4.710 -35.007 1.00 61.00 7 A 1 ATOM 53 N NE . ARG A 0 7 . 28.491 -5.587 -36.027 1.00 61.00 7 A 1 ATOM 54 N NH1 . ARG A 0 7 . 28.541 -7.539 -34.816 1.00 61.00 7 A 1 ATOM 55 N NH2 . ARG A 0 7 . 27.920 -7.587 -36.956 1.00 61.00 7 A 1 ATOM 56 C CZ . ARG A 0 7 . 28.319 -6.892 -35.928 1.00 61.00 7 A 1 ATOM 57 N N . CYS A 0 8 . 30.002 1.279 -33.877 1.00 59.04 8 A 1 ATOM 58 C CA . CYS A 0 8 . 30.182 2.068 -32.652 1.00 59.04 8 A 1 ATOM 59 C C . CYS A 0 8 . 28.820 2.578 -32.182 1.00 59.04 8 A 1 ATOM 60 C CB . CYS A 0 8 . 31.262 3.144 -32.818 1.00 59.04 8 A 1 ATOM 61 O O . CYS A 0 8 . 28.547 3.772 -32.126 1.00 59.04 8 A 1 ATOM 62 S SG . CYS A 0 8 . 32.895 2.356 -32.688 1.00 59.04 8 A 1 ATOM 63 N N . SER A 0 9 . 27.941 1.630 -31.857 1.00 63.32 9 A 1 ATOM 64 C CA . SER A 0 9 . 26.733 1.850 -31.067 1.00 63.32 9 A 1 ATOM 65 C C . SER A 0 9 . 27.129 2.098 -29.605 1.00 63.32 9 A 1 ATOM 66 C CB . SER A 0 9 . 25.813 0.636 -31.227 1.00 63.32 9 A 1 ATOM 67 O O . SER A 0 9 . 27.009 1.221 -28.755 1.00 63.32 9 A 1 ATOM 68 O OG . SER A 0 9 . 26.518 -0.557 -30.928 1.00 63.32 9 A 1 ATOM 69 N N . MET A 0 10 . 27.662 3.287 -29.322 1.00 59.71 10 A 1 ATOM 70 C CA . MET A 0 10 . 28.178 3.691 -28.003 1.00 59.71 10 A 1 ATOM 71 C C . MET A 0 10 . 27.094 4.305 -27.094 1.00 59.71 10 A 1 ATOM 72 C CB . MET A 0 10 . 29.377 4.639 -28.187 1.00 59.71 10 A 1 ATOM 73 O O . MET A 0 10 . 27.390 5.133 -26.242 1.00 59.71 10 A 1 ATOM 74 C CG . MET A 0 10 . 30.610 3.981 -28.815 1.00 59.71 10 A 1 ATOM 75 S SD . MET A 0 10 . 31.510 2.860 -27.711 1.00 59.71 10 A 1 ATOM 76 C CE . MET A 0 10 . 33.202 3.150 -28.299 1.00 59.71 10 A 1 ATOM 77 N N . PHE A 0 11 . 25.827 3.914 -27.261 1.00 61.94 11 A 1 ATOM 78 C CA . PHE A 0 11 . 24.701 4.452 -26.479 1.00 61.94 11 A 1 ATOM 79 C C . PHE A 0 11 . 24.107 3.453 -25.471 1.00 61.94 11 A 1 ATOM 80 C CB . PHE A 0 11 . 23.665 5.087 -27.420 1.00 61.94 11 A 1 ATOM 81 O O . PHE A 0 11 . 23.038 3.694 -24.922 1.00 61.94 11 A 1 ATOM 82 C CG . PHE A 0 11 . 24.082 6.459 -27.915 1.00 61.94 11 A 1 ATOM 83 C CD1 . PHE A 0 11 . 23.947 7.575 -27.065 1.00 61.94 11 A 1 ATOM 84 C CD2 . PHE A 0 11 . 24.610 6.629 -29.209 1.00 61.94 11 A 1 ATOM 85 C CE1 . PHE A 0 11 . 24.335 8.852 -27.506 1.00 61.94 11 A 1 ATOM 86 C CE2 . PHE A 0 11 . 24.997 7.908 -29.650 1.00 61.94 11 A 1 ATOM 87 C CZ . PHE A 0 11 . 24.858 9.019 -28.799 1.00 61.94 11 A 1 ATOM 88 N N . TYR A 0 12 . 24.800 2.347 -25.180 1.00 61.76 12 A 1 ATOM 89 C CA . TYR A 0 12 . 24.288 1.289 -24.293 1.00 61.76 12 A 1 ATOM 90 C C . TYR A 0 12 . 24.754 1.368 -22.831 1.00 61.76 12 A 1 ATOM 91 C CB . TYR A 0 12 . 24.549 -0.082 -24.928 1.00 61.76 12 A 1 ATOM 92 O O . TYR A 0 12 . 24.378 0.518 -22.031 1.00 61.76 12 A 1 ATOM 93 C CG . TYR A 0 12 . 23.669 -0.331 -26.137 1.00 61.76 12 A 1 ATOM 94 C CD1 . TYR A 0 12 . 22.287 -0.540 -25.955 1.00 61.76 12 A 1 ATOM 95 C CD2 . TYR A 0 12 . 24.218 -0.345 -27.432 1.00 61.76 12 A 1 ATOM 96 C CE1 . TYR A 0 12 . 21.448 -0.748 -27.065 1.00 61.76 12 A 1 ATOM 97 C CE2 . TYR A 0 12 . 23.382 -0.573 -28.542 1.00 61.76 12 A 1 ATOM 98 O OH . TYR A 0 12 . 21.204 -0.966 -29.446 1.00 61.76 12 A 1 ATOM 99 C CZ . TYR A 0 12 . 21.998 -0.761 -28.363 1.00 61.76 12 A 1 ATOM 100 N N . HIS A 0 13 . 25.533 2.386 -22.456 1.00 67.99 13 A 1 ATOM 101 C CA . HIS A 0 13 . 26.070 2.519 -21.093 1.00 67.99 13 A 1 ATOM 102 C C . HIS A 0 13 . 25.445 3.655 -20.276 1.00 67.99 13 A 1 ATOM 103 C CB . HIS A 0 13 . 27.601 2.607 -21.151 1.00 67.99 13 A 1 ATOM 104 O O . HIS A 0 13 . 25.869 3.881 -19.146 1.00 67.99 13 A 1 ATOM 105 C CG . HIS A 0 13 . 28.237 1.267 -21.409 1.00 67.99 13 A 1 ATOM 106 C CD2 . HIS A 0 13 . 28.174 0.532 -22.562 1.00 67.99 13 A 1 ATOM 107 N ND1 . HIS A 0 13 . 28.966 0.533 -20.502 1.00 67.99 13 A 1 ATOM 108 C CE1 . HIS A 0 13 . 29.337 -0.613 -21.097 1.00 67.99 13 A 1 ATOM 109 N NE2 . HIS A 0 13 . 28.874 -0.658 -22.355 1.00 67.99 13 A 1 ATOM 110 N N . LEU A 0 14 . 24.445 4.366 -20.807 1.00 66.62 14 A 1 ATOM 111 C CA . LEU A 0 14 . 23.794 5.440 -20.064 1.00 66.62 14 A 1 ATOM 112 C C . LEU A 0 14 . 22.675 4.851 -19.188 1.00 66.62 14 A 1 ATOM 113 C CB . LEU A 0 14 . 23.323 6.547 -21.026 1.00 66.62 14 A 1 ATOM 114 O O . LEU A 0 14 . 21.697 4.333 -19.736 1.00 66.62 14 A 1 ATOM 115 C CG . LEU A 0 14 . 23.368 7.950 -20.391 1.00 66.62 14 A 1 ATOM 116 C CD1 . LEU A 0 14 . 24.804 8.435 -20.152 1.00 66.62 14 A 1 ATOM 117 C CD2 . LEU A 0 14 . 22.702 8.959 -21.327 1.00 66.62 14 A 1 ATOM 118 N N . PRO A 0 15 . 22.782 4.903 -17.845 1.00 71.80 15 A 1 ATOM 119 C CA . PRO A 0 15 . 21.701 4.466 -16.977 1.00 71.80 15 A 1 ATOM 120 C C . PRO A 0 15 . 20.499 5.369 -17.259 1.00 71.80 15 A 1 ATOM 121 C CB . PRO A 0 15 . 22.204 4.624 -15.531 1.00 71.80 15 A 1 ATOM 122 O O . PRO A 0 15 . 20.644 6.592 -17.163 1.00 71.80 15 A 1 ATOM 123 C CG . PRO A 0 15 . 23.710 4.833 -15.672 1.00 71.80 15 A 1 ATOM 124 C CD . PRO A 0 15 . 23.854 5.473 -17.046 1.00 71.80 15 A 1 ATOM 125 N N . PRO A 0 16 . 19.314 4.834 -17.605 1.00 66.71 16 A 1 ATOM 126 C CA . PRO A 0 16 . 18.136 5.672 -17.643 1.00 66.71 16 A 1 ATOM 127 C C . PRO A 0 16 . 17.941 6.185 -16.220 1.00 66.71 16 A 1 ATOM 128 C CB . PRO A 0 16 . 16.999 4.789 -18.162 1.00 66.71 16 A 1 ATOM 129 O O . PRO A 0 16 . 17.689 5.406 -15.300 1.00 66.71 16 A 1 ATOM 130 C CG . PRO A 0 16 . 17.443 3.373 -17.792 1.00 66.71 16 A 1 ATOM 131 C CD . PRO A 0 16 . 18.972 3.439 -17.826 1.00 66.71 16 A 1 ATOM 132 N N . TYR A 0 17 . 18.114 7.493 -16.047 1.00 65.15 17 A 1 ATOM 133 C CA . TYR A 0 17 . 17.650 8.259 -14.904 1.00 65.15 17 A 1 ATOM 134 C C . TYR A 0 17 . 16.143 7.999 -14.790 1.00 65.15 17 A 1 ATOM 135 C CB . TYR A 0 17 . 18.017 9.730 -15.164 1.00 65.15 17 A 1 ATOM 136 O O . TYR A 0 17 . 15.317 8.663 -15.416 1.00 65.15 17 A 1 ATOM 137 C CG . TYR A 0 17 . 17.716 10.696 -14.036 1.00 65.15 17 A 1 ATOM 138 C CD1 . TYR A 0 17 . 16.516 11.434 -14.042 1.00 65.15 17 A 1 ATOM 139 C CD2 . TYR A 0 17 . 18.664 10.901 -13.015 1.00 65.15 17 A 1 ATOM 140 C CE1 . TYR A 0 17 . 16.267 12.382 -13.032 1.00 65.15 17 A 1 ATOM 141 C CE2 . TYR A 0 17 . 18.419 11.850 -12.003 1.00 65.15 17 A 1 ATOM 142 O OH . TYR A 0 17 . 16.977 13.520 -11.050 1.00 65.15 17 A 1 ATOM 143 C CZ . TYR A 0 17 . 17.219 12.596 -12.015 1.00 65.15 17 A 1 ATOM 144 N N . ARG A 0 18 . 15.783 6.904 -14.113 1.00 68.36 18 A 1 ATOM 145 C CA . ARG A 0 18 . 14.403 6.464 -13.942 1.00 68.36 18 A 1 ATOM 146 C C . ARG A 0 18 . 13.802 7.369 -12.883 1.00 68.36 18 A 1 ATOM 147 C CB . ARG A 0 18 . 14.317 4.964 -13.604 1.00 68.36 18 A 1 ATOM 148 O O . ARG A 0 18 . 13.918 7.110 -11.690 1.00 68.36 18 A 1 ATOM 149 C CG . ARG A 0 18 . 14.504 4.083 -14.851 1.00 68.36 18 A 1 ATOM 150 C CD . ARG A 0 18 . 14.318 2.598 -14.520 1.00 68.36 18 A 1 ATOM 151 N NE . ARG A 0 18 . 14.444 1.750 -15.724 1.00 68.36 18 A 1 ATOM 152 N NH1 . ARG A 0 18 . 13.913 -0.254 -14.735 1.00 68.36 18 A 1 ATOM 153 N NH2 . ARG A 0 18 . 14.397 -0.197 -16.911 1.00 68.36 18 A 1 ATOM 154 C CZ . ARG A 0 18 . 14.252 0.443 -15.784 1.00 68.36 18 A 1 ATOM 155 N N . PHE A 0 19 . 13.224 8.462 -13.374 1.00 64.87 19 A 1 ATOM 156 C CA . PHE A 0 19 . 12.301 9.336 -12.666 1.00 64.87 19 A 1 ATOM 157 C C . PHE A 0 19 . 11.459 8.534 -11.660 1.00 64.87 19 A 1 ATOM 158 C CB . PHE A 0 19 . 11.371 9.987 -13.702 1.00 64.87 19 A 1 ATOM 159 O O . PHE A 0 19 . 10.858 7.526 -12.047 1.00 64.87 19 A 1 ATOM 160 C CG . PHE A 0 19 . 11.936 11.238 -14.339 1.00 64.87 19 A 1 ATOM 161 C CD1 . PHE A 0 19 . 11.581 12.491 -13.809 1.00 64.87 19 A 1 ATOM 162 C CD2 . PHE A 0 19 . 12.803 11.167 -15.448 1.00 64.87 19 A 1 ATOM 163 C CE1 . PHE A 0 19 . 12.083 13.670 -14.383 1.00 64.87 19 A 1 ATOM 164 C CE2 . PHE A 0 19 . 13.307 12.349 -16.021 1.00 64.87 19 A 1 ATOM 165 C CZ . PHE A 0 19 . 12.946 13.600 -15.489 1.00 64.87 19 A 1 ATOM 166 N N . PRO A 0 20 . 11.393 8.951 -10.385 1.00 61.92 20 A 1 ATOM 167 C CA . PRO A 0 20 . 10.564 8.262 -9.416 1.00 61.92 20 A 1 ATOM 168 C C . PRO A 0 20 . 9.099 8.513 -9.796 1.00 61.92 20 A 1 ATOM 169 C CB . PRO A 0 20 . 10.969 8.849 -8.057 1.00 61.92 20 A 1 ATOM 170 O O . PRO A 0 20 . 8.626 9.644 -9.725 1.00 61.92 20 A 1 ATOM 171 C CG . PRO A 0 20 . 11.430 10.269 -8.390 1.00 61.92 20 A 1 ATOM 172 C CD . PRO A 0 20 . 11.988 10.149 -9.808 1.00 61.92 20 A 1 ATOM 173 N N . LEU A 0 21 . 8.370 7.471 -10.202 1.00 67.89 21 A 1 ATOM 174 C CA . LEU A 0 21 . 6.908 7.503 -10.301 1.00 67.89 21 A 1 ATOM 175 C C . LEU A 0 21 . 6.293 6.946 -9.002 1.00 67.89 21 A 1 ATOM 176 C CB . LEU A 0 21 . 6.403 6.698 -11.528 1.00 67.89 21 A 1 ATOM 177 O O . LEU A 0 21 . 6.086 5.738 -8.906 1.00 67.89 21 A 1 ATOM 178 C CG . LEU A 0 21 . 6.142 7.509 -12.809 1.00 67.89 21 A 1 ATOM 179 C CD1 . LEU A 0 21 . 7.425 7.787 -13.588 1.00 67.89 21 A 1 ATOM 180 C CD2 . LEU A 0 21 . 5.181 6.738 -13.721 1.00 67.89 21 A 1 ATOM 181 N N . PRO A 0 22 . 5.926 7.779 -8.012 1.00 64.44 22 A 1 ATOM 182 C CA . PRO A 0 22 . 4.957 7.401 -6.991 1.00 64.44 22 A 1 ATOM 183 C C . PRO A 0 22 . 3.574 7.982 -7.340 1.00 64.44 22 A 1 ATOM 184 C CB . PRO A 0 22 . 5.562 7.919 -5.684 1.00 64.44 22 A 1 ATOM 185 O O . PRO A 0 22 . 2.976 8.693 -6.541 1.00 64.44 22 A 1 ATOM 186 C CG . PRO A 0 22 . 6.212 9.231 -6.124 1.00 64.44 22 A 1 ATOM 187 C CD . PRO A 0 22 . 6.653 8.961 -7.566 1.00 64.44 22 A 1 ATOM 188 N N . SER A 0 23 . 3.049 7.729 -8.544 1.00 61.82 23 A 1 ATOM 189 C CA . SER A 0 23 . 1.801 8.360 -9.018 1.00 61.82 23 A 1 ATOM 190 C C . SER A 0 23 . 0.545 7.478 -8.957 1.00 61.82 23 A 1 ATOM 191 C CB . SER A 0 23 . 2.001 9.009 -10.391 1.00 61.82 23 A 1 ATOM 192 O O . SER A 0 23 . -0.478 7.850 -9.522 1.00 61.82 23 A 1 ATOM 193 O OG . SER A 0 23 . 2.471 8.057 -11.323 1.00 61.82 23 A 1 ATOM 194 N N . GLN A 0 24 . 0.561 6.341 -8.245 1.00 62.24 24 A 1 ATOM 195 C CA . GLN A 0 24 . -0.640 5.492 -8.084 1.00 62.24 24 A 1 ATOM 196 C C . GLN A 0 24 . -0.909 4.977 -6.662 1.00 62.24 24 A 1 ATOM 197 C CB . GLN A 0 24 . -0.630 4.345 -9.107 1.00 62.24 24 A 1 ATOM 198 O O . GLN A 0 24 . -1.857 4.228 -6.444 1.00 62.24 24 A 1 ATOM 199 C CG . GLN A 0 24 . -0.933 4.850 -10.526 1.00 62.24 24 A 1 ATOM 200 C CD . GLN A 0 24 . -1.100 3.715 -11.527 1.00 62.24 24 A 1 ATOM 201 N NE2 . GLN A 0 24 . -0.817 3.950 -12.788 1.00 62.24 24 A 1 ATOM 202 O OE1 . GLN A 0 24 . -1.488 2.606 -11.211 1.00 62.24 24 A 1 ATOM 203 N N . VAL A 0 25 . -0.150 5.416 -5.654 1.00 60.71 25 A 1 ATOM 204 C CA . VAL A 0 25 . -0.381 4.978 -4.260 1.00 60.71 25 A 1 ATOM 205 C C . VAL A 0 25 . -1.483 5.799 -3.564 1.00 60.71 25 A 1 ATOM 206 C CB . VAL A 0 25 . 0.928 4.933 -3.440 1.00 60.71 25 A 1 ATOM 207 O O . VAL A 0 25 . -1.954 5.431 -2.494 1.00 60.71 25 A 1 ATOM 208 C CG1 . VAL A 0 25 . 0.826 3.916 -2.294 1.00 60.71 25 A 1 ATOM 209 C CG2 . VAL A 0 25 . 2.147 4.522 -4.284 1.00 60.71 25 A 1 ATOM 210 N N . SER A 0 26 . -1.941 6.898 -4.176 1.00 62.65 26 A 1 ATOM 211 C CA . SER A 0 26 . -2.957 7.782 -3.583 1.00 62.65 26 A 1 ATOM 212 C C . SER A 0 26 . -4.398 7.322 -3.859 1.00 62.65 26 A 1 ATOM 213 C CB . SER A 0 26 . -2.717 9.222 -4.049 1.00 62.65 26 A 1 ATOM 214 O O . SER A 0 26 . -5.260 7.432 -2.993 1.00 62.65 26 A 1 ATOM 215 O OG . SER A 0 26 . -3.359 10.113 -3.166 1.00 62.65 26 A 1 ATOM 216 N N . LEU A 0 27 . -4.678 6.710 -5.017 1.00 61.51 27 A 1 ATOM 217 C CA . LEU A 0 27 . -6.056 6.360 -5.400 1.00 61.51 27 A 1 ATOM 218 C C . LEU A 0 27 . -6.593 5.112 -4.679 1.00 61.51 27 A 1 ATOM 219 C CB . LEU A 0 27 . -6.153 6.256 -6.933 1.00 61.51 27 A 1 ATOM 220 O O . LEU A 0 27 . -7.736 5.117 -4.225 1.00 61.51 27 A 1 ATOM 221 C CG . LEU A 0 27 . -6.056 7.621 -7.648 1.00 61.51 27 A 1 ATOM 222 C CD1 . LEU A 0 27 . -5.894 7.412 -9.152 1.00 61.51 27 A 1 ATOM 223 C CD2 . LEU A 0 27 . -7.298 8.486 -7.418 1.00 61.51 27 A 1 ATOM 224 N N . CYS A 0 28 . -5.765 4.084 -4.458 1.00 61.40 28 A 1 ATOM 225 C CA . CYS A 0 28 . -6.165 2.931 -3.635 1.00 61.40 28 A 1 ATOM 226 C C . CYS A 0 28 . -6.278 3.275 -2.142 1.00 61.40 28 A 1 ATOM 227 C CB . CYS A 0 28 . -5.187 1.766 -3.849 1.00 61.40 28 A 1 ATOM 228 O O . CYS A 0 28 . -7.056 2.654 -1.419 1.00 61.40 28 A 1 ATOM 229 S SG . CYS A 0 28 . -5.691 0.840 -5.323 1.00 61.40 28 A 1 ATOM 230 N N . ARG A 0 29 . -5.530 4.281 -1.671 1.00 56.88 29 A 1 ATOM 231 C CA . ARG A 0 29 . -5.499 4.673 -0.256 1.00 56.88 29 A 1 ATOM 232 C C . ARG A 0 29 . -6.626 5.637 0.122 1.00 56.88 29 A 1 ATOM 233 C CB . ARG A 0 29 . -4.093 5.197 0.071 1.00 56.88 29 A 1 ATOM 234 O O . ARG A 0 29 . -7.023 5.659 1.275 1.00 56.88 29 A 1 ATOM 235 C CG . ARG A 0 29 . -3.723 5.034 1.551 1.00 56.88 29 A 1 ATOM 236 C CD . ARG A 0 29 . -2.234 5.352 1.739 1.00 56.88 29 A 1 ATOM 237 N NE . ARG A 0 29 . -1.784 5.077 3.117 1.00 56.88 29 A 1 ATOM 238 N NH1 . ARG A 0 29 . 0.374 5.822 2.873 1.00 56.88 29 A 1 ATOM 239 N NH2 . ARG A 0 29 . -0.293 5.003 4.838 1.00 56.88 29 A 1 ATOM 240 C CZ . ARG A 0 29 . -0.575 5.300 3.601 1.00 56.88 29 A 1 ATOM 241 N N . VAL A 0 30 . -7.199 6.371 -0.832 1.00 58.86 30 A 1 ATOM 242 C CA . VAL A 0 30 . -8.383 7.217 -0.590 1.00 58.86 30 A 1 ATOM 243 C C . VAL A 0 30 . -9.679 6.396 -0.585 1.00 58.86 30 A 1 ATOM 244 C CB . VAL A 0 30 . -8.406 8.388 -1.592 1.00 58.86 30 A 1 ATOM 245 O O . VAL A 0 30 . -10.537 6.621 0.266 1.00 58.86 30 A 1 ATOM 246 C CG1 . VAL A 0 30 . -9.725 9.167 -1.588 1.00 58.86 30 A 1 ATOM 247 C CG2 . VAL A 0 30 . -7.289 9.384 -1.244 1.00 58.86 30 A 1 ATOM 248 N N . MET A 0 31 . -9.808 5.378 -1.444 1.00 59.22 31 A 1 ATOM 249 C CA . MET A 0 31 . -11.025 4.548 -1.474 1.00 59.22 31 A 1 ATOM 250 C C . MET A 0 31 . -11.142 3.583 -0.285 1.00 59.22 31 A 1 ATOM 251 C CB . MET A 0 31 . -11.132 3.797 -2.807 1.00 59.22 31 A 1 ATOM 252 O O . MET A 0 31 . -12.249 3.264 0.139 1.00 59.22 31 A 1 ATOM 253 C CG . MET A 0 31 . -11.350 4.768 -3.976 1.00 59.22 31 A 1 ATOM 254 S SD . MET A 0 31 . -12.642 4.265 -5.144 1.00 59.22 31 A 1 ATOM 255 C CE . MET A 0 31 . -11.862 2.827 -5.920 1.00 59.22 31 A 1 ATOM 256 N N . GLN A 0 32 . -10.018 3.154 0.297 1.00 59.20 32 A 1 ATOM 257 C CA . GLN A 0 32 . -10.026 2.231 1.436 1.00 59.20 32 A 1 ATOM 258 C C . GLN A 0 32 . -10.330 2.924 2.778 1.00 59.20 32 A 1 ATOM 259 C CB . GLN A 0 32 . -8.701 1.456 1.436 1.00 59.20 32 A 1 ATOM 260 O O . GLN A 0 32 . -10.819 2.272 3.691 1.00 59.20 32 A 1 ATOM 261 C CG . GLN A 0 32 . -8.733 0.220 2.346 1.00 59.20 32 A 1 ATOM 262 C CD . GLN A 0 32 . -7.549 -0.693 2.057 1.00 59.20 32 A 1 ATOM 263 N NE2 . GLN A 0 32 . -7.712 -1.703 1.228 1.00 59.20 32 A 1 ATOM 264 O OE1 . GLN A 0 32 . -6.445 -0.496 2.535 1.00 59.20 32 A 1 ATOM 265 N N . PHE A 0 33 . -10.101 4.238 2.892 1.00 59.57 33 A 1 ATOM 266 C CA . PHE A 0 33 . -10.397 5.018 4.103 1.00 59.57 33 A 1 ATOM 267 C C . PHE A 0 33 . -11.744 5.765 4.048 1.00 59.57 33 A 1 ATOM 268 C CB . PHE A 0 33 . -9.218 5.958 4.401 1.00 59.57 33 A 1 ATOM 269 O O . PHE A 0 33 . -12.266 6.140 5.093 1.00 59.57 33 A 1 ATOM 270 C CG . PHE A 0 33 . -8.042 5.272 5.080 1.00 59.57 33 A 1 ATOM 271 C CD1 . PHE A 0 33 . -7.931 5.291 6.482 1.00 59.57 33 A 1 ATOM 272 C CD2 . PHE A 0 33 . -7.073 4.584 4.327 1.00 59.57 33 A 1 ATOM 273 C CE1 . PHE A 0 33 . -6.850 4.652 7.117 1.00 59.57 33 A 1 ATOM 274 C CE2 . PHE A 0 33 . -5.985 3.955 4.955 1.00 59.57 33 A 1 ATOM 275 C CZ . PHE A 0 33 . -5.871 3.992 6.354 1.00 59.57 33 A 1 ATOM 276 N N . GLY A 0 34 . -12.337 5.949 2.861 1.00 59.87 34 A 1 ATOM 277 C CA . GLY A 0 34 . -13.613 6.661 2.676 1.00 59.87 34 A 1 ATOM 278 C C . GLY A 0 34 . -14.881 5.837 2.935 1.00 59.87 34 A 1 ATOM 279 O O . GLY A 0 34 . -15.972 6.396 2.913 1.00 59.87 34 A 1 ATOM 280 N N . ASN A 0 35 . -14.747 4.529 3.183 1.00 58.44 35 A 1 ATOM 281 C CA . ASN A 0 35 . -15.864 3.596 3.390 1.00 58.44 35 A 1 ATOM 282 C C . ASN A 0 35 . -15.943 3.033 4.819 1.00 58.44 35 A 1 ATOM 283 C CB . ASN A 0 35 . -15.817 2.499 2.301 1.00 58.44 35 A 1 ATOM 284 O O . ASN A 0 35 . -16.647 2.056 5.060 1.00 58.44 35 A 1 ATOM 285 C CG . ASN A 0 35 . -16.945 2.597 1.289 1.00 58.44 35 A 1 ATOM 286 N ND2 . ASN A 0 35 . -16.779 1.978 0.144 1.00 58.44 35 A 1 ATOM 287 O OD1 . ASN A 0 35 . -17.982 3.202 1.484 1.00 58.44 35 A 1 ATOM 288 N N . PHE A 0 36 . -15.241 3.644 5.776 1.00 59.99 36 A 1 ATOM 289 C CA . PHE A 0 36 . -15.515 3.435 7.195 1.00 59.99 36 A 1 ATOM 290 C C . PHE A 0 36 . -16.555 4.473 7.618 1.00 59.99 36 A 1 ATOM 291 C CB . PHE A 0 36 . -14.221 3.521 8.011 1.00 59.99 36 A 1 ATOM 292 O O . PHE A 0 36 . -16.175 5.610 7.913 1.00 59.99 36 A 1 ATOM 293 C CG . PHE A 0 36 . -13.287 2.358 7.753 1.00 59.99 36 A 1 ATOM 294 C CD1 . PHE A 0 36 . -13.580 1.089 8.286 1.00 59.99 36 A 1 ATOM 295 C CD2 . PHE A 0 36 . -12.144 2.534 6.954 1.00 59.99 36 A 1 ATOM 296 C CE1 . PHE A 0 36 . -12.735 -0.002 8.017 1.00 59.99 36 A 1 ATOM 297 C CE2 . PHE A 0 36 . -11.294 1.446 6.694 1.00 59.99 36 A 1 ATOM 298 C CZ . PHE A 0 36 . -11.591 0.177 7.219 1.00 59.99 36 A 1 ATOM 299 N N . PRO A 0 37 . -17.864 4.147 7.605 1.00 61.27 37 A 1 ATOM 300 C CA . PRO A 0 37 . -18.845 5.053 8.156 1.00 61.27 37 A 1 ATOM 301 C C . PRO A 0 37 . -18.465 5.310 9.612 1.00 61.27 37 A 1 ATOM 302 C CB . PRO A 0 37 . -20.213 4.396 7.966 1.00 61.27 37 A 1 ATOM 303 O O . PRO A 0 37 . -18.195 4.402 10.397 1.00 61.27 37 A 1 ATOM 304 C CG . PRO A 0 37 . -19.877 2.908 7.928 1.00 61.27 37 A 1 ATOM 305 C CD . PRO A 0 37 . -18.509 2.889 7.250 1.00 61.27 37 A 1 ATOM 306 N N . ASN A 0 38 . -18.398 6.595 9.914 1.00 60.47 38 A 1 ATOM 307 C CA . ASN A 0 38 . -18.247 7.206 11.215 1.00 60.47 38 A 1 ATOM 308 C C . ASN A 0 38 . -19.436 6.792 12.106 1.00 60.47 38 A 1 ATOM 309 C CB . ASN A 0 38 . -18.166 8.711 10.887 1.00 60.47 38 A 1 ATOM 310 O O . ASN A 0 38 . -20.383 7.551 12.288 1.00 60.47 38 A 1 ATOM 311 C CG . ASN A 0 38 . -17.783 9.611 12.038 1.00 60.47 38 A 1 ATOM 312 N ND2 . ASN A 0 38 . -17.473 10.852 11.736 1.00 60.47 38 A 1 ATOM 313 O OD1 . ASN A 0 38 . -17.718 9.234 13.192 1.00 60.47 38 A 1 ATOM 314 N N . VAL A 0 39 . -19.436 5.543 12.577 1.00 57.59 39 A 1 ATOM 315 C CA . VAL A 0 39 . -20.398 5.004 13.543 1.00 57.59 39 A 1 ATOM 316 C C . VAL A 0 39 . -19.634 4.745 14.832 1.00 57.59 39 A 1 ATOM 317 C CB . VAL A 0 39 . -21.180 3.753 13.062 1.00 57.59 39 A 1 ATOM 318 O O . VAL A 0 39 . -18.772 3.873 14.905 1.00 57.59 39 A 1 ATOM 319 C CG1 . VAL A 0 39 . -22.682 4.063 13.032 1.00 57.59 39 A 1 ATOM 320 C CG2 . VAL A 0 39 . -20.798 3.218 11.679 1.00 57.59 39 A 1 ATOM 321 N N . CYS A 0 40 . -19.912 5.583 15.827 1.00 62.72 40 A 1 ATOM 322 C CA . CYS A 0 40 . -19.308 5.609 17.152 1.00 62.72 40 A 1 ATOM 323 C C . CYS A 0 40 . -18.979 4.206 17.705 1.00 62.72 40 A 1 ATOM 324 C CB . CYS A 0 40 . -20.330 6.282 18.081 1.00 62.72 40 A 1 ATOM 325 O O . CYS A 0 40 . -19.899 3.422 17.950 1.00 62.72 40 A 1 ATOM 326 S SG . CYS A 0 40 . -20.742 7.959 17.521 1.00 62.72 40 A 1 ATOM 327 N N . PRO A 0 41 . -17.712 3.885 18.024 1.00 56.35 41 A 1 ATOM 328 C CA . PRO A 0 41 . -17.364 2.600 18.604 1.00 56.35 41 A 1 ATOM 329 C C . PRO A 0 41 . -17.541 2.623 20.128 1.00 56.35 41 A 1 ATOM 330 C CB . PRO A 0 41 . -15.927 2.360 18.145 1.00 56.35 41 A 1 ATOM 331 O O . PRO A 0 41 . -16.671 2.159 20.857 1.00 56.35 41 A 1 ATOM 332 C CG . PRO A 0 41 . -15.324 3.753 18.168 1.00 56.35 41 A 1 ATOM 333 C CD . PRO A 0 41 . -16.496 4.646 17.762 1.00 56.35 41 A 1 ATOM 334 N N . ILE A 0 42 . -18.670 3.119 20.646 1.00 62.67 42 A 1 ATOM 335 C CA . ILE A 0 42 . -18.990 2.942 22.080 1.00 62.67 42 A 1 ATOM 336 C C . ILE A 0 42 . -19.204 1.435 22.376 1.00 62.67 42 A 1 ATOM 337 C CB . ILE A 0 42 . -20.163 3.854 22.532 1.00 62.67 42 A 1 ATOM 338 O O . ILE A 0 42 . -19.127 0.996 23.516 1.00 62.67 42 A 1 ATOM 339 C CG1 . ILE A 0 42 . -19.965 5.335 22.113 1.00 62.67 42 A 1 ATOM 340 C CG2 . ILE A 0 42 . -20.306 3.811 24.068 1.00 62.67 42 A 1 ATOM 341 C CD1 . ILE A 0 42 . -21.263 6.155 22.122 1.00 62.67 42 A 1 ATOM 342 N N . HIS A 0 43 . -19.371 0.613 21.331 1.00 58.04 43 A 1 ATOM 343 C CA . HIS A 0 43 . -19.440 -0.850 21.390 1.00 58.04 43 A 1 ATOM 344 C C . HIS A 0 43 . -18.159 -1.600 20.960 1.00 58.04 43 A 1 ATOM 345 C CB . HIS A 0 43 . -20.665 -1.310 20.581 1.00 58.04 43 A 1 ATOM 346 O O . HIS A 0 43 . -18.090 -2.815 21.150 1.00 58.04 43 A 1 ATOM 347 C CG . HIS A 0 43 . -21.797 -1.751 21.469 1.00 58.04 43 A 1 ATOM 348 C CD2 . HIS A 0 43 . -22.229 -3.037 21.646 1.00 58.04 43 A 1 ATOM 349 N ND1 . HIS A 0 43 . -22.550 -0.951 22.300 1.00 58.04 43 A 1 ATOM 350 C CE1 . HIS A 0 43 . -23.421 -1.738 22.953 1.00 58.04 43 A 1 ATOM 351 N NE2 . HIS A 0 43 . -23.261 -3.017 22.586 1.00 58.04 43 A 1 ATOM 352 N N . SER A 0 44 . -17.114 -0.950 20.425 1.00 59.58 44 A 1 ATOM 353 C CA . SER A 0 44 . -15.946 -1.692 19.889 1.00 59.58 44 A 1 ATOM 354 C C . SER A 0 44 . -14.901 -2.088 20.933 1.00 59.58 44 A 1 ATOM 355 C CB . SER A 0 44 . -15.264 -1.011 18.705 1.00 59.58 44 A 1 ATOM 356 O O . SER A 0 44 . -13.904 -2.717 20.590 1.00 59.58 44 A 1 ATOM 357 O OG . SER A 0 44 . -16.223 -0.650 17.730 1.00 59.58 44 A 1 ATOM 358 N N . HIS A 0 45 . -15.129 -1.793 22.214 1.00 59.38 45 A 1 ATOM 359 C CA . HIS A 0 45 . -14.282 -2.300 23.297 1.00 59.38 45 A 1 ATOM 360 C C . HIS A 0 45 . -14.545 -3.790 23.610 1.00 59.38 45 A 1 ATOM 361 C CB . HIS A 0 45 . -14.458 -1.395 24.525 1.00 59.38 45 A 1 ATOM 362 O O . HIS A 0 45 . -13.725 -4.448 24.245 1.00 59.38 45 A 1 ATOM 363 C CG . HIS A 0 45 . -13.356 -1.564 25.539 1.00 59.38 45 A 1 ATOM 364 C CD2 . HIS A 0 45 . -12.121 -0.973 25.508 1.00 59.38 45 A 1 ATOM 365 N ND1 . HIS A 0 45 . -13.390 -2.367 26.656 1.00 59.38 45 A 1 ATOM 366 C CE1 . HIS A 0 45 . -12.206 -2.261 27.282 1.00 59.38 45 A 1 ATOM 367 N NE2 . HIS A 0 45 . -11.399 -1.422 26.617 1.00 59.38 45 A 1 ATOM 368 N N . SER A 0 46 . -15.665 -4.362 23.146 1.00 61.21 46 A 1 ATOM 369 C CA . SER A 0 46 . -16.050 -5.740 23.492 1.00 61.21 46 A 1 ATOM 370 C C . SER A 0 46 . -15.319 -6.822 22.679 1.00 61.21 46 A 1 ATOM 371 C CB . SER A 0 46 . -17.572 -5.875 23.389 1.00 61.21 46 A 1 ATOM 372 O O . SER A 0 46 . -15.167 -7.943 23.156 1.00 61.21 46 A 1 ATOM 373 O OG . SER A 0 46 . -18.013 -7.123 23.880 1.00 61.21 46 A 1 ATOM 374 N N . LEU A 0 47 . -14.790 -6.500 21.493 1.00 60.36 47 A 1 ATOM 375 C CA . LEU A 0 47 . -14.191 -7.499 20.593 1.00 60.36 47 A 1 ATOM 376 C C . LEU A 0 47 . -12.676 -7.701 20.770 1.00 60.36 47 A 1 ATOM 377 C CB . LEU A 0 47 . -14.590 -7.169 19.143 1.00 60.36 47 A 1 ATOM 378 O O . LEU A 0 47 . -12.123 -8.648 20.218 1.00 60.36 47 A 1 ATOM 379 C CG . LEU A 0 47 . -16.074 -7.462 18.838 1.00 60.36 47 A 1 ATOM 380 C CD1 . LEU A 0 47 . -16.458 -6.848 17.493 1.00 60.36 47 A 1 ATOM 381 C CD2 . LEU A 0 47 . -16.365 -8.965 18.774 1.00 60.36 47 A 1 ATOM 382 N N . PHE A 0 48 . -11.996 -6.870 21.568 1.00 57.82 48 A 1 ATOM 383 C CA . PHE A 0 48 . -10.550 -7.009 21.808 1.00 57.82 48 A 1 ATOM 384 C C . PHE A 0 48 . -10.190 -7.910 23.003 1.00 57.82 48 A 1 ATOM 385 C CB . PHE A 0 48 . -9.892 -5.621 21.895 1.00 57.82 48 A 1 ATOM 386 O O . PHE A 0 48 . -9.044 -8.339 23.120 1.00 57.82 48 A 1 ATOM 387 C CG . PHE A 0 48 . -8.931 -5.364 20.750 1.00 57.82 48 A 1 ATOM 388 C CD1 . PHE A 0 48 . -7.593 -5.790 20.846 1.00 57.82 48 A 1 ATOM 389 C CD2 . PHE A 0 48 . -9.382 -4.740 19.571 1.00 57.82 48 A 1 ATOM 390 C CE1 . PHE A 0 48 . -6.705 -5.579 19.775 1.00 57.82 48 A 1 ATOM 391 C CE2 . PHE A 0 48 . -8.495 -4.532 18.499 1.00 57.82 48 A 1 ATOM 392 C CZ . PHE A 0 48 . -7.156 -4.949 18.601 1.00 57.82 48 A 1 ATOM 393 N N . PHE A 0 49 . -11.148 -8.242 23.877 1.00 57.03 49 A 1 ATOM 394 C CA . PHE A 0 49 . -10.885 -9.035 25.090 1.00 57.03 49 A 1 ATOM 395 C C . PHE A 0 49 . -11.049 -10.554 24.901 1.00 57.03 49 A 1 ATOM 396 C CB . PHE A 0 49 . -11.736 -8.493 26.250 1.00 57.03 49 A 1 ATOM 397 O O . PHE A 0 49 . -10.496 -11.350 25.662 1.00 57.03 49 A 1 ATOM 398 C CG . PHE A 0 49 . -10.889 -8.038 27.420 1.00 57.03 49 A 1 ATOM 399 C CD1 . PHE A 0 49 . -10.478 -8.967 28.394 1.00 57.03 49 A 1 ATOM 400 C CD2 . PHE A 0 49 . -10.473 -6.695 27.514 1.00 57.03 49 A 1 ATOM 401 C CE1 . PHE A 0 49 . -9.672 -8.552 29.469 1.00 57.03 49 A 1 ATOM 402 C CE2 . PHE A 0 49 . -9.664 -6.282 28.587 1.00 57.03 49 A 1 ATOM 403 C CZ . PHE A 0 49 . -9.267 -7.209 29.567 1.00 57.03 49 A 1 ATOM 404 N N . THR A 0 50 . -11.767 -10.984 23.864 1.00 60.55 50 A 1 ATOM 405 C CA . THR A 0 50 . -11.962 -12.407 23.542 1.00 60.55 50 A 1 ATOM 406 C C . THR A 0 50 . -10.799 -13.017 22.757 1.00 60.55 50 A 1 ATOM 407 C CB . THR A 0 50 . -13.298 -12.631 22.809 1.00 60.55 50 A 1 ATOM 408 O O . THR A 0 50 . -10.616 -14.228 22.798 1.00 60.55 50 A 1 ATOM 409 C CG2 . THR A 0 50 . -14.411 -12.960 23.801 1.00 60.55 50 A 1 ATOM 410 O OG1 . THR A 0 50 . -13.698 -11.464 22.118 1.00 60.55 50 A 1 ATOM 411 N N . SER A 0 51 . -9.949 -12.211 22.108 1.00 58.93 51 A 1 ATOM 412 C CA . SER A 0 51 . -8.776 -12.732 21.384 1.00 58.93 51 A 1 ATOM 413 C C . SER A 0 51 . -7.552 -12.992 22.276 1.00 58.93 51 A 1 ATOM 414 C CB . SER A 0 51 . -8.402 -11.799 20.230 1.00 58.93 51 A 1 ATOM 415 O O . SER A 0 51 . -6.606 -13.643 21.837 1.00 58.93 51 A 1 ATOM 416 O OG . SER A 0 51 . -7.435 -12.429 19.413 1.00 58.93 51 A 1 ATOM 417 N N . SER A 0 52 . -7.540 -12.496 23.514 1.00 57.54 52 A 1 ATOM 418 C CA . SER A 0 52 . -6.398 -12.592 24.438 1.00 57.54 52 A 1 ATOM 419 C C . SER A 0 52 . -6.559 -13.667 25.523 1.00 57.54 52 A 1 ATOM 420 C CB . SER A 0 52 . -6.097 -11.202 25.020 1.00 57.54 52 A 1 ATOM 421 O O . SER A 0 52 . -5.624 -13.909 26.283 1.00 57.54 52 A 1 ATOM 422 O OG . SER A 0 52 . -7.297 -10.504 25.304 1.00 57.54 52 A 1 ATOM 423 N N . SER A 0 53 . -7.702 -14.358 25.580 1.00 57.85 53 A 1 ATOM 424 C CA . SER A 0 53 . -8.036 -15.323 26.642 1.00 57.85 53 A 1 ATOM 425 C C . SER A 0 53 . -7.909 -16.806 26.250 1.00 57.85 53 A 1 ATOM 426 C CB . SER A 0 53 . -9.403 -14.983 27.261 1.00 57.85 53 A 1 ATOM 427 O O . SER A 0 53 . -8.064 -17.660 27.117 1.00 57.85 53 A 1 ATOM 428 O OG . SER A 0 53 . -10.306 -14.447 26.307 1.00 57.85 53 A 1 ATOM 429 N N . HIS A 0 54 . -7.547 -17.138 25.002 1.00 61.23 54 A 1 ATOM 430 C CA . HIS A 0 54 . -7.330 -18.531 24.557 1.00 61.23 54 A 1 ATOM 431 C C . HIS A 0 54 . -5.868 -18.856 24.194 1.00 61.23 54 A 1 ATOM 432 C CB . HIS A 0 54 . -8.331 -18.901 23.455 1.00 61.23 54 A 1 ATOM 433 O O . HIS A 0 54 . -5.582 -19.783 23.441 1.00 61.23 54 A 1 ATOM 434 C CG . HIS A 0 54 . -8.649 -20.375 23.453 1.00 61.23 54 A 1 ATOM 435 C CD2 . HIS A 0 54 . -8.170 -21.329 22.595 1.00 61.23 54 A 1 ATOM 436 N ND1 . HIS A 0 54 . -9.459 -21.020 24.361 1.00 61.23 54 A 1 ATOM 437 C CE1 . HIS A 0 54 . -9.477 -22.326 24.051 1.00 61.23 54 A 1 ATOM 438 N NE2 . HIS A 0 54 . -8.714 -22.561 22.974 1.00 61.23 54 A 1 ATOM 439 N N . ARG A 0 55 . -4.922 -18.069 24.717 1.00 56.57 55 A 1 ATOM 440 C CA . ARG A 0 55 . -3.482 -18.310 24.563 1.00 56.57 55 A 1 ATOM 441 C C . ARG A 0 55 . -2.773 -18.168 25.911 1.00 56.57 55 A 1 ATOM 442 C CB . ARG A 0 55 . -2.919 -17.425 23.435 1.00 56.57 55 A 1 ATOM 443 O O . ARG A 0 55 . -1.978 -17.253 26.114 1.00 56.57 55 A 1 ATOM 444 C CG . ARG A 0 55 . -1.672 -18.053 22.794 1.00 56.57 55 A 1 ATOM 445 C CD . ARG A 0 55 . -1.071 -17.094 21.759 1.00 56.57 55 A 1 ATOM 446 N NE . ARG A 0 55 . -0.195 -17.798 20.800 1.00 56.57 55 A 1 ATOM 447 N NH1 . ARG A 0 55 . 1.232 -16.065 20.308 1.00 56.57 55 A 1 ATOM 448 N NH2 . ARG A 0 55 . 1.429 -18.002 19.219 1.00 56.57 55 A 1 ATOM 449 C CZ . ARG A 0 55 . 0.813 -17.286 20.119 1.00 56.57 55 A 1 ATOM 450 N N . ARG A 0 56 . -3.119 -19.050 26.843 1.00 49.31 56 A 1 ATOM 451 C CA . ARG A 0 56 . -2.265 -19.459 27.962 1.00 49.31 56 A 1 ATOM 452 C C . ARG A 0 56 . -2.167 -20.970 27.950 1.00 49.31 56 A 1 ATOM 453 C CB . ARG A 0 56 . -2.784 -18.988 29.321 1.00 49.31 56 A 1 ATOM 454 O O . ARG A 0 56 . -3.190 -21.590 27.590 1.00 49.31 56 A 1 ATOM 455 C CG . ARG A 0 56 . -2.525 -17.501 29.567 1.00 49.31 56 A 1 ATOM 456 C CD . ARG A 0 56 . -2.693 -17.243 31.066 1.00 49.31 56 A 1 ATOM 457 N NE . ARG A 0 56 . -2.726 -15.807 31.384 1.00 49.31 56 A 1 ATOM 458 N NH1 . ARG A 0 56 . -3.726 -16.022 33.436 1.00 49.31 56 A 1 ATOM 459 N NH2 . ARG A 0 56 . -3.277 -13.992 32.635 1.00 49.31 56 A 1 ATOM 460 C CZ . ARG A 0 56 . -3.239 -15.284 32.479 1.00 49.31 56 A 1 ATOM 461 O OXT . ARG A 0 56 . -1.057 -21.421 28.276 1.00 49.31 56 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 60.31 # loop_ _atom_type.symbol C N O S #