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 ASP 0 4 ILE 0 5 LYS 0 6 TYR 0 7 ASN 0 8 HIS 0 9 PHE 0 10 VAL 0 11 LEU 0 12 LEU 0 13 LEU 0 14 TYR 0 15 ARG 0 16 TYR 0 17 ASN 0 18 CYS 0 19 PHE 0 20 THR 0 21 ILE 0 22 THR 0 23 LEU 0 24 GLU 0 25 ASP 0 26 HIS 0 27 LEU 0 28 LEU 0 29 HIS 0 30 GLY 0 31 LEU 0 32 CYS 0 33 GLN 0 34 GLN 0 35 LEU 0 36 GLY 0 37 LYS 0 38 THR 0 39 PHE 0 40 ILE 0 41 SER 0 42 LEU 0 43 LEU 0 44 CYS 0 45 PHE 0 46 LEU 0 47 ASP 0 48 GLY 0 49 ILE 0 50 TRP 0 51 ASN 0 52 THR 0 53 LEU 0 54 VAL 0 55 GLY 0 56 PHE 0 57 ILE 0 58 TYR 0 59 GLY 0 60 GLY 0 61 ALA 0 62 THR 0 63 GLN # 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 . 2.354 -3.217 -16.094 1.00 44.40 1 A 1 ATOM 2 C CA . MET A 0 1 . 1.341 -2.161 -15.915 1.00 44.40 1 A 1 ATOM 3 C C . MET A 0 1 . 0.239 -2.757 -15.050 1.00 44.40 1 A 1 ATOM 4 C CB . MET A 0 1 . 0.862 -1.671 -17.299 1.00 44.40 1 A 1 ATOM 5 O O . MET A 0 1 . -0.609 -3.469 -15.566 1.00 44.40 1 A 1 ATOM 6 C CG . MET A 0 1 . 0.322 -0.239 -17.316 1.00 44.40 1 A 1 ATOM 7 S SD . MET A 0 1 . 0.048 0.349 -19.011 1.00 44.40 1 A 1 ATOM 8 C CE . MET A 0 1 . -0.379 2.085 -18.710 1.00 44.40 1 A 1 ATOM 9 N N . ILE A 0 2 . 0.338 -2.623 -13.724 1.00 47.31 2 A 1 ATOM 10 C CA . ILE A 0 2 . -0.761 -3.017 -12.832 1.00 47.31 2 A 1 ATOM 11 C C . ILE A 0 2 . -1.832 -1.946 -13.030 1.00 47.31 2 A 1 ATOM 12 C CB . ILE A 0 2 . -0.271 -3.148 -11.368 1.00 47.31 2 A 1 ATOM 13 O O . ILE A 0 2 . -1.564 -0.766 -12.813 1.00 47.31 2 A 1 ATOM 14 C CG1 . ILE A 0 2 . 0.694 -4.354 -11.255 1.00 47.31 2 A 1 ATOM 15 C CG2 . ILE A 0 2 . -1.454 -3.310 -10.394 1.00 47.31 2 A 1 ATOM 16 C CD1 . ILE A 0 2 . 1.457 -4.430 -9.927 1.00 47.31 2 A 1 ATOM 17 N N . ASP A 0 3 . -2.995 -2.332 -13.552 1.00 47.43 3 A 1 ATOM 18 C CA . ASP A 0 3 . -4.054 -1.393 -13.920 1.00 47.43 3 A 1 ATOM 19 C C . ASP A 0 3 . -4.475 -0.595 -12.675 1.00 47.43 3 A 1 ATOM 20 C CB . ASP A 0 3 . -5.243 -2.143 -14.550 1.00 47.43 3 A 1 ATOM 21 O O . ASP A 0 3 . -5.082 -1.130 -11.744 1.00 47.43 3 A 1 ATOM 22 C CG . ASP A 0 3 . -5.678 -1.548 -15.886 1.00 47.43 3 A 1 ATOM 23 O OD1 . ASP A 0 3 . -6.463 -0.569 -15.840 1.00 47.43 3 A 1 ATOM 24 O OD2 . ASP A 0 3 . -5.224 -2.068 -16.924 1.00 47.43 3 A 1 ATOM 25 N N . ILE A 0 4 . -4.152 0.701 -12.654 1.00 56.81 4 A 1 ATOM 26 C CA . ILE A 0 4 . -4.465 1.641 -11.563 1.00 56.81 4 A 1 ATOM 27 C C . ILE A 0 4 . -5.966 1.595 -11.215 1.00 56.81 4 A 1 ATOM 28 C CB . ILE A 0 4 . -4.001 3.060 -11.984 1.00 56.81 4 A 1 ATOM 29 O O . ILE A 0 4 . -6.353 1.817 -10.066 1.00 56.81 4 A 1 ATOM 30 C CG1 . ILE A 0 4 . -2.461 3.098 -12.166 1.00 56.81 4 A 1 ATOM 31 C CG2 . ILE A 0 4 . -4.438 4.138 -10.974 1.00 56.81 4 A 1 ATOM 32 C CD1 . ILE A 0 4 . -1.947 4.349 -12.891 1.00 56.81 4 A 1 ATOM 33 N N . LYS A 0 5 . -6.814 1.216 -12.183 1.00 52.21 5 A 1 ATOM 34 C CA . LYS A 0 5 . -8.249 0.977 -11.993 1.00 52.21 5 A 1 ATOM 35 C C . LYS A 0 5 . -8.546 -0.111 -10.962 1.00 52.21 5 A 1 ATOM 36 C CB . LYS A 0 5 . -8.889 0.603 -13.336 1.00 52.21 5 A 1 ATOM 37 O O . LYS A 0 5 . -9.413 0.105 -10.119 1.00 52.21 5 A 1 ATOM 38 C CG . LYS A 0 5 . -8.918 1.789 -14.308 1.00 52.21 5 A 1 ATOM 39 C CD . LYS A 0 5 . -9.600 1.369 -15.613 1.00 52.21 5 A 1 ATOM 40 C CE . LYS A 0 5 . -9.650 2.550 -16.585 1.00 52.21 5 A 1 ATOM 41 N NZ . LYS A 0 5 . -10.221 2.132 -17.887 1.00 52.21 5 A 1 ATOM 42 N N . TYR A 0 6 . -7.827 -1.236 -10.981 1.00 56.99 6 A 1 ATOM 43 C CA . TYR A 0 6 . -8.018 -2.302 -9.991 1.00 56.99 6 A 1 ATOM 44 C C . TYR A 0 6 . -7.584 -1.844 -8.605 1.00 56.99 6 A 1 ATOM 45 C CB . TYR A 0 6 . -7.267 -3.579 -10.392 1.00 56.99 6 A 1 ATOM 46 O O . TYR A 0 6 . -8.299 -2.082 -7.636 1.00 56.99 6 A 1 ATOM 47 C CG . TYR A 0 6 . -8.022 -4.412 -11.402 1.00 56.99 6 A 1 ATOM 48 C CD1 . TYR A 0 6 . -9.103 -5.209 -10.982 1.00 56.99 6 A 1 ATOM 49 C CD2 . TYR A 0 6 . -7.656 -4.388 -12.758 1.00 56.99 6 A 1 ATOM 50 C CE1 . TYR A 0 6 . -9.825 -5.965 -11.924 1.00 56.99 6 A 1 ATOM 51 C CE2 . TYR A 0 6 . -8.385 -5.125 -13.709 1.00 56.99 6 A 1 ATOM 52 O OH . TYR A 0 6 . -10.177 -6.647 -14.191 1.00 56.99 6 A 1 ATOM 53 C CZ . TYR A 0 6 . -9.472 -5.919 -13.288 1.00 56.99 6 A 1 ATOM 54 N N . ASN A 0 7 . -6.470 -1.118 -8.512 1.00 60.84 7 A 1 ATOM 55 C CA . ASN A 0 7 . -5.992 -0.613 -7.229 1.00 60.84 7 A 1 ATOM 56 C C . ASN A 0 7 . -6.982 0.399 -6.623 1.00 60.84 7 A 1 ATOM 57 C CB . ASN A 0 7 . -4.577 -0.039 -7.424 1.00 60.84 7 A 1 ATOM 58 O O . ASN A 0 7 . -7.292 0.335 -5.438 1.00 60.84 7 A 1 ATOM 59 C CG . ASN A 0 7 . -3.773 -0.029 -6.135 1.00 60.84 7 A 1 ATOM 60 N ND2 . ASN A 0 7 . -2.661 0.668 -6.110 1.00 60.84 7 A 1 ATOM 61 O OD1 . ASN A 0 7 . -4.098 -0.666 -5.151 1.00 60.84 7 A 1 ATOM 62 N N . HIS A 0 8 . -7.565 1.274 -7.449 1.00 63.77 8 A 1 ATOM 63 C CA . HIS A 0 8 . -8.585 2.226 -7.008 1.00 63.77 8 A 1 ATOM 64 C C . HIS A 0 8 . -9.910 1.548 -6.621 1.00 63.77 8 A 1 ATOM 65 C CB . HIS A 0 8 . -8.796 3.272 -8.108 1.00 63.77 8 A 1 ATOM 66 O O . HIS A 0 8 . -10.529 1.924 -5.626 1.00 63.77 8 A 1 ATOM 67 C CG . HIS A 0 8 . -9.650 4.425 -7.652 1.00 63.77 8 A 1 ATOM 68 C CD2 . HIS A 0 8 . -9.326 5.344 -6.689 1.00 63.77 8 A 1 ATOM 69 N ND1 . HIS A 0 8 . -10.902 4.754 -8.119 1.00 63.77 8 A 1 ATOM 70 C CE1 . HIS A 0 8 . -11.314 5.850 -7.461 1.00 63.77 8 A 1 ATOM 71 N NE2 . HIS A 0 8 . -10.390 6.243 -6.574 1.00 63.77 8 A 1 ATOM 72 N N . PHE A 0 9 . -10.336 0.526 -7.367 1.00 67.22 9 A 1 ATOM 73 C CA . PHE A 0 9 . -11.551 -0.229 -7.056 1.00 67.22 9 A 1 ATOM 74 C C . PHE A 0 9 . -11.412 -1.024 -5.751 1.00 67.22 9 A 1 ATOM 75 C CB . PHE A 0 9 . -11.893 -1.140 -8.239 1.00 67.22 9 A 1 ATOM 76 O O . PHE A 0 9 . -12.313 -0.998 -4.914 1.00 67.22 9 A 1 ATOM 77 C CG . PHE A 0 9 . -13.280 -1.741 -8.150 1.00 67.22 9 A 1 ATOM 78 C CD1 . PHE A 0 9 . -13.458 -3.078 -7.751 1.00 67.22 9 A 1 ATOM 79 C CD2 . PHE A 0 9 . -14.400 -0.952 -8.472 1.00 67.22 9 A 1 ATOM 80 C CE1 . PHE A 0 9 . -14.753 -3.623 -7.684 1.00 67.22 9 A 1 ATOM 81 C CE2 . PHE A 0 9 . -15.695 -1.494 -8.391 1.00 67.22 9 A 1 ATOM 82 C CZ . PHE A 0 9 . -15.871 -2.830 -7.993 1.00 67.22 9 A 1 ATOM 83 N N . VAL A 0 10 . -10.253 -1.652 -5.530 1.00 66.73 10 A 1 ATOM 84 C CA . VAL A 0 10 . -9.925 -2.329 -4.268 1.00 66.73 10 A 1 ATOM 85 C C . VAL A 0 10 . -9.862 -1.324 -3.115 1.00 66.73 10 A 1 ATOM 86 C CB . VAL A 0 10 . -8.618 -3.132 -4.413 1.00 66.73 10 A 1 ATOM 87 O O . VAL A 0 10 . -10.398 -1.604 -2.046 1.00 66.73 10 A 1 ATOM 88 C CG1 . VAL A 0 10 . -8.121 -3.700 -3.078 1.00 66.73 10 A 1 ATOM 89 C CG2 . VAL A 0 10 . -8.831 -4.325 -5.357 1.00 66.73 10 A 1 ATOM 90 N N . LEU A 0 11 . -9.315 -0.123 -3.337 1.00 64.93 11 A 1 ATOM 91 C CA . LEU A 0 11 . -9.339 0.965 -2.352 1.00 64.93 11 A 1 ATOM 92 C C . LEU A 0 11 . -10.766 1.357 -1.953 1.00 64.93 11 A 1 ATOM 93 C CB . LEU A 0 11 . -8.652 2.217 -2.930 1.00 64.93 11 A 1 ATOM 94 O O . LEU A 0 11 . -11.042 1.563 -0.773 1.00 64.93 11 A 1 ATOM 95 C CG . LEU A 0 11 . -7.637 2.856 -1.970 1.00 64.93 11 A 1 ATOM 96 C CD1 . LEU A 0 11 . -6.230 2.436 -2.388 1.00 64.93 11 A 1 ATOM 97 C CD2 . LEU A 0 11 . -7.730 4.381 -2.024 1.00 64.93 11 A 1 ATOM 98 N N . LEU A 0 12 . -11.663 1.483 -2.934 1.00 68.45 12 A 1 ATOM 99 C CA . LEU A 0 12 . -13.061 1.858 -2.718 1.00 68.45 12 A 1 ATOM 100 C C . LEU A 0 12 . -13.821 0.772 -1.955 1.00 68.45 12 A 1 ATOM 101 C CB . LEU A 0 12 . -13.732 2.152 -4.072 1.00 68.45 12 A 1 ATOM 102 O O . LEU A 0 12 . -14.507 1.095 -0.988 1.00 68.45 12 A 1 ATOM 103 C CG . LEU A 0 12 . -13.445 3.563 -4.610 1.00 68.45 12 A 1 ATOM 104 C CD1 . LEU A 0 12 . -13.834 3.636 -6.086 1.00 68.45 12 A 1 ATOM 105 C CD2 . LEU A 0 12 . -14.256 4.623 -3.853 1.00 68.45 12 A 1 ATOM 106 N N . LEU A 0 13 . -13.649 -0.495 -2.339 1.00 68.10 13 A 1 ATOM 107 C CA . LEU A 0 13 . -14.208 -1.652 -1.629 1.00 68.10 13 A 1 ATOM 108 C C . LEU A 0 13 . -13.701 -1.730 -0.190 1.00 68.10 13 A 1 ATOM 109 C CB . LEU A 0 13 . -13.841 -2.933 -2.400 1.00 68.10 13 A 1 ATOM 110 O O . LEU A 0 13 . -14.486 -1.939 0.731 1.00 68.10 13 A 1 ATOM 111 C CG . LEU A 0 13 . -15.018 -3.456 -3.238 1.00 68.10 13 A 1 ATOM 112 C CD1 . LEU A 0 13 . -14.499 -4.204 -4.457 1.00 68.10 13 A 1 ATOM 113 C CD2 . LEU A 0 13 . -15.882 -4.414 -2.418 1.00 68.10 13 A 1 ATOM 114 N N . TYR A 0 14 . -12.405 -1.505 0.017 1.00 65.88 14 A 1 ATOM 115 C CA . TYR A 0 14 . -11.802 -1.501 1.344 1.00 65.88 14 A 1 ATOM 116 C C . TYR A 0 14 . -12.326 -0.341 2.198 1.00 65.88 14 A 1 ATOM 117 C CB . TYR A 0 14 . -10.281 -1.457 1.180 1.00 65.88 14 A 1 ATOM 118 O O . TYR A 0 14 . -12.654 -0.528 3.366 1.00 65.88 14 A 1 ATOM 119 C CG . TYR A 0 14 . -9.537 -1.767 2.453 1.00 65.88 14 A 1 ATOM 120 C CD1 . TYR A 0 14 . -9.210 -0.729 3.338 1.00 65.88 14 A 1 ATOM 121 C CD2 . TYR A 0 14 . -9.189 -3.098 2.758 1.00 65.88 14 A 1 ATOM 122 C CE1 . TYR A 0 14 . -8.528 -1.021 4.529 1.00 65.88 14 A 1 ATOM 123 C CE2 . TYR A 0 14 . -8.511 -3.392 3.956 1.00 65.88 14 A 1 ATOM 124 O OH . TYR A 0 14 . -7.527 -2.619 6.007 1.00 65.88 14 A 1 ATOM 125 C CZ . TYR A 0 14 . -8.182 -2.352 4.849 1.00 65.88 14 A 1 ATOM 126 N N . ARG A 0 15 . -12.481 0.854 1.614 1.00 64.29 15 A 1 ATOM 127 C CA . ARG A 0 15 . -13.038 2.023 2.306 1.00 64.29 15 A 1 ATOM 128 C C . ARG A 0 15 . -14.511 1.820 2.666 1.00 64.29 15 A 1 ATOM 129 C CB . ARG A 0 15 . -12.802 3.273 1.448 1.00 64.29 15 A 1 ATOM 130 O O . ARG A 0 15 . -14.895 2.207 3.763 1.00 64.29 15 A 1 ATOM 131 C CG . ARG A 0 15 . -12.810 4.562 2.276 1.00 64.29 15 A 1 ATOM 132 C CD . ARG A 0 15 . -12.520 5.757 1.360 1.00 64.29 15 A 1 ATOM 133 N NE . ARG A 0 15 . -12.377 7.008 2.129 1.00 64.29 15 A 1 ATOM 134 N NH1 . ARG A 0 15 . -12.620 8.469 0.374 1.00 64.29 15 A 1 ATOM 135 N NH2 . ARG A 0 15 . -12.262 9.265 2.426 1.00 64.29 15 A 1 ATOM 136 C CZ . ARG A 0 15 . -12.420 8.235 1.641 1.00 64.29 15 A 1 ATOM 137 N N . TYR A 0 16 . -15.297 1.185 1.794 1.00 65.66 16 A 1 ATOM 138 C CA . TYR A 0 16 . -16.678 0.790 2.088 1.00 65.66 16 A 1 ATOM 139 C C . TYR A 0 16 . -16.739 -0.249 3.208 1.00 65.66 16 A 1 ATOM 140 C CB . TYR A 0 16 . -17.390 0.283 0.823 1.00 65.66 16 A 1 ATOM 141 O O . TYR A 0 16 . -17.462 -0.032 4.170 1.00 65.66 16 A 1 ATOM 142 C CG . TYR A 0 16 . -18.381 1.279 0.258 1.00 65.66 16 A 1 ATOM 143 C CD1 . TYR A 0 16 . -19.709 1.277 0.728 1.00 65.66 16 A 1 ATOM 144 C CD2 . TYR A 0 16 . -17.979 2.212 -0.717 1.00 65.66 16 A 1 ATOM 145 C CE1 . TYR A 0 16 . -20.640 2.199 0.215 1.00 65.66 16 A 1 ATOM 146 C CE2 . TYR A 0 16 . -18.908 3.137 -1.233 1.00 65.66 16 A 1 ATOM 147 O OH . TYR A 0 16 . -21.149 4.011 -1.265 1.00 65.66 16 A 1 ATOM 148 C CZ . TYR A 0 16 . -20.243 3.128 -0.768 1.00 65.66 16 A 1 ATOM 149 N N . ASN A 0 17 . -15.927 -1.311 3.150 1.00 63.93 17 A 1 ATOM 150 C CA . ASN A 0 17 . -15.887 -2.323 4.209 1.00 63.93 17 A 1 ATOM 151 C C . ASN A 0 17 . -15.418 -1.747 5.550 1.00 63.93 17 A 1 ATOM 152 C CB . ASN A 0 17 . -15.009 -3.515 3.780 1.00 63.93 17 A 1 ATOM 153 O O . ASN A 0 17 . -16.046 -2.025 6.566 1.00 63.93 17 A 1 ATOM 154 C CG . ASN A 0 17 . -15.799 -4.664 3.177 1.00 63.93 17 A 1 ATOM 155 N ND2 . ASN A 0 17 . -15.128 -5.615 2.569 1.00 63.93 17 A 1 ATOM 156 O OD1 . ASN A 0 17 . -17.007 -4.762 3.260 1.00 63.93 17 A 1 ATOM 157 N N . CYS A 0 18 . -14.383 -0.897 5.578 1.00 60.34 18 A 1 ATOM 158 C CA . CYS A 0 18 . -14.009 -0.201 6.813 1.00 60.34 18 A 1 ATOM 159 C C . CYS A 0 18 . -15.164 0.673 7.333 1.00 60.34 18 A 1 ATOM 160 C CB . CYS A 0 18 . -12.785 0.709 6.632 1.00 60.34 18 A 1 ATOM 161 O O . CYS A 0 18 . -15.329 0.771 8.544 1.00 60.34 18 A 1 ATOM 162 S SG . CYS A 0 18 . -11.143 0.019 6.276 1.00 60.34 18 A 1 ATOM 163 N N . PHE A 0 19 . -15.952 1.293 6.441 1.00 60.80 19 A 1 ATOM 164 C CA . PHE A 0 19 . -17.098 2.130 6.811 1.00 60.80 19 A 1 ATOM 165 C C . PHE A 0 19 . -18.305 1.311 7.316 1.00 60.80 19 A 1 ATOM 166 C CB . PHE A 0 19 . -17.498 3.039 5.646 1.00 60.80 19 A 1 ATOM 167 O O . PHE A 0 19 . -19.085 1.761 8.155 1.00 60.80 19 A 1 ATOM 168 C CG . PHE A 0 19 . -18.258 4.273 6.091 1.00 60.80 19 A 1 ATOM 169 C CD1 . PHE A 0 19 . -19.659 4.251 6.209 1.00 60.80 19 A 1 ATOM 170 C CD2 . PHE A 0 19 . -17.548 5.443 6.420 1.00 60.80 19 A 1 ATOM 171 C CE1 . PHE A 0 19 . -20.348 5.398 6.644 1.00 60.80 19 A 1 ATOM 172 C CE2 . PHE A 0 19 . -18.236 6.592 6.848 1.00 60.80 19 A 1 ATOM 173 C CZ . PHE A 0 19 . -19.637 6.569 6.959 1.00 60.80 19 A 1 ATOM 174 N N . THR A 0 20 . -18.474 0.084 6.832 1.00 57.68 20 A 1 ATOM 175 C CA . THR A 0 20 . -19.481 -0.844 7.362 1.00 57.68 20 A 1 ATOM 176 C C . THR A 0 20 . -19.056 -1.368 8.734 1.00 57.68 20 A 1 ATOM 177 C CB . THR A 0 20 . -19.729 -1.993 6.376 1.00 57.68 20 A 1 ATOM 178 O O . THR A 0 20 . -19.860 -1.377 9.658 1.00 57.68 20 A 1 ATOM 179 C CG2 . THR A 0 20 . -20.980 -2.791 6.731 1.00 57.68 20 A 1 ATOM 180 O OG1 . THR A 0 20 . -19.949 -1.479 5.081 1.00 57.68 20 A 1 ATOM 181 N N . ILE A 0 21 . -17.772 -1.692 8.900 1.00 54.02 21 A 1 ATOM 182 C CA . ILE A 0 21 . -17.183 -2.144 10.169 1.00 54.02 21 A 1 ATOM 183 C C . ILE A 0 21 . -17.224 -1.043 11.247 1.00 54.02 21 A 1 ATOM 184 C CB . ILE A 0 21 . -15.751 -2.645 9.879 1.00 54.02 21 A 1 ATOM 185 O O . ILE A 0 21 . -17.421 -1.338 12.424 1.00 54.02 21 A 1 ATOM 186 C CG1 . ILE A 0 21 . -15.785 -3.971 9.080 1.00 54.02 21 A 1 ATOM 187 C CG2 . ILE A 0 21 . -14.932 -2.837 11.160 1.00 54.02 21 A 1 ATOM 188 C CD1 . ILE A 0 21 . -14.435 -4.358 8.459 1.00 54.02 21 A 1 ATOM 189 N N . THR A 0 22 . -17.087 0.236 10.875 1.00 50.66 22 A 1 ATOM 190 C CA . THR A 0 22 . -17.189 1.360 11.828 1.00 50.66 22 A 1 ATOM 191 C C . THR A 0 22 . -18.500 1.459 12.569 1.00 50.66 22 A 1 ATOM 192 C CB . THR A 0 22 . -17.104 2.734 11.161 1.00 50.66 22 A 1 ATOM 193 O O . THR A 0 22 . -18.525 2.079 13.630 1.00 50.66 22 A 1 ATOM 194 C CG2 . THR A 0 22 . -15.710 3.241 11.196 1.00 50.66 22 A 1 ATOM 195 O OG1 . THR A 0 22 . -17.381 2.759 9.805 1.00 50.66 22 A 1 ATOM 196 N N . LEU A 0 23 . -19.585 0.944 11.992 1.00 56.88 23 A 1 ATOM 197 C CA . LEU A 0 23 . -20.883 1.021 12.645 1.00 56.88 23 A 1 ATOM 198 C C . LEU A 0 23 . -20.933 0.136 13.897 1.00 56.88 23 A 1 ATOM 199 C CB . LEU A 0 23 . -21.993 0.674 11.634 1.00 56.88 23 A 1 ATOM 200 O O . LEU A 0 23 . -21.723 0.424 14.790 1.00 56.88 23 A 1 ATOM 201 C CG . LEU A 0 23 . -22.998 1.828 11.430 1.00 56.88 23 A 1 ATOM 202 C CD1 . LEU A 0 23 . -22.954 2.341 9.988 1.00 56.88 23 A 1 ATOM 203 C CD2 . LEU A 0 23 . -24.423 1.377 11.745 1.00 56.88 23 A 1 ATOM 204 N N . GLU A 0 24 . -20.077 -0.889 13.972 1.00 58.87 24 A 1 ATOM 205 C CA . GLU A 0 24 . -19.993 -1.794 15.118 1.00 58.87 24 A 1 ATOM 206 C C . GLU A 0 24 . -18.844 -1.437 16.073 1.00 58.87 24 A 1 ATOM 207 C CB . GLU A 0 24 . -19.947 -3.254 14.632 1.00 58.87 24 A 1 ATOM 208 O O . GLU A 0 24 . -19.053 -1.495 17.280 1.00 58.87 24 A 1 ATOM 209 C CG . GLU A 0 24 . -21.322 -3.697 14.104 1.00 58.87 24 A 1 ATOM 210 C CD . GLU A 0 24 . -21.363 -5.196 13.773 1.00 58.87 24 A 1 ATOM 211 O OE1 . GLU A 0 24 . -21.820 -5.978 14.638 1.00 58.87 24 A 1 ATOM 212 O OE2 . GLU A 0 24 . -20.977 -5.548 12.633 1.00 58.87 24 A 1 ATOM 213 N N . ASP A 0 25 . -17.675 -0.981 15.591 1.00 54.11 25 A 1 ATOM 214 C CA . ASP A 0 25 . -16.532 -0.718 16.482 1.00 54.11 25 A 1 ATOM 215 C C . ASP A 0 25 . -15.554 0.373 15.993 1.00 54.11 25 A 1 ATOM 216 C CB . ASP A 0 25 . -15.789 -2.039 16.751 1.00 54.11 25 A 1 ATOM 217 O O . ASP A 0 25 . -14.845 0.241 14.988 1.00 54.11 25 A 1 ATOM 218 C CG . ASP A 0 25 . -16.270 -2.707 18.043 1.00 54.11 25 A 1 ATOM 219 O OD1 . ASP A 0 25 . -15.955 -2.112 19.102 1.00 54.11 25 A 1 ATOM 220 O OD2 . ASP A 0 25 . -16.813 -3.829 17.965 1.00 54.11 25 A 1 ATOM 221 N N . HIS A 0 26 . -15.420 1.449 16.782 1.00 62.13 26 A 1 ATOM 222 C CA . HIS A 0 26 . -14.492 2.564 16.529 1.00 62.13 26 A 1 ATOM 223 C C . HIS A 0 26 . -13.008 2.145 16.515 1.00 62.13 26 A 1 ATOM 224 C CB . HIS A 0 26 . -14.710 3.658 17.591 1.00 62.13 26 A 1 ATOM 225 O O . HIS A 0 26 . -12.200 2.755 15.810 1.00 62.13 26 A 1 ATOM 226 C CG . HIS A 0 26 . -15.677 4.734 17.169 1.00 62.13 26 A 1 ATOM 227 C CD2 . HIS A 0 26 . -17.035 4.752 17.348 1.00 62.13 26 A 1 ATOM 228 N ND1 . HIS A 0 26 . -15.334 5.915 16.549 1.00 62.13 26 A 1 ATOM 229 C CE1 . HIS A 0 26 . -16.456 6.629 16.363 1.00 62.13 26 A 1 ATOM 230 N NE2 . HIS A 0 26 . -17.515 5.965 16.839 1.00 62.13 26 A 1 ATOM 231 N N . LEU A 0 27 . -12.634 1.110 17.277 1.00 59.87 27 A 1 ATOM 232 C CA . LEU A 0 27 . -11.247 0.637 17.380 1.00 59.87 27 A 1 ATOM 233 C C . LEU A 0 27 . -10.795 -0.075 16.097 1.00 59.87 27 A 1 ATOM 234 C CB . LEU A 0 27 . -11.124 -0.292 18.609 1.00 59.87 27 A 1 ATOM 235 O O . LEU A 0 27 . -9.668 0.113 15.627 1.00 59.87 27 A 1 ATOM 236 C CG . LEU A 0 27 . -9.938 0.066 19.531 1.00 59.87 27 A 1 ATOM 237 C CD1 . LEU A 0 27 . -10.445 0.523 20.900 1.00 59.87 27 A 1 ATOM 238 C CD2 . LEU A 0 27 . -9.004 -1.126 19.730 1.00 59.87 27 A 1 ATOM 239 N N . LEU A 0 28 . -11.704 -0.844 15.491 1.00 59.10 28 A 1 ATOM 240 C CA . LEU A 0 28 . -11.442 -1.566 14.251 1.00 59.10 28 A 1 ATOM 241 C C . LEU A 0 28 . -11.276 -0.609 13.068 1.00 59.10 28 A 1 ATOM 242 C CB . LEU A 0 28 . -12.562 -2.595 13.997 1.00 59.10 28 A 1 ATOM 243 O O . LEU A 0 28 . -10.498 -0.894 12.160 1.00 59.10 28 A 1 ATOM 244 C CG . LEU A 0 28 . -12.019 -4.027 13.845 1.00 59.10 28 A 1 ATOM 245 C CD1 . LEU A 0 28 . -11.593 -4.595 15.199 1.00 59.10 28 A 1 ATOM 246 C CD2 . LEU A 0 28 . -13.068 -4.964 13.252 1.00 59.10 28 A 1 ATOM 247 N N . HIS A 0 29 . -11.925 0.559 13.096 1.00 64.79 29 A 1 ATOM 248 C CA . HIS A 0 29 . -11.763 1.563 12.045 1.00 64.79 29 A 1 ATOM 249 C C . HIS A 0 29 . -10.333 2.090 11.935 1.00 64.79 29 A 1 ATOM 250 C CB . HIS A 0 29 . -12.686 2.746 12.306 1.00 64.79 29 A 1 ATOM 251 O O . HIS A 0 29 . -9.800 2.201 10.828 1.00 64.79 29 A 1 ATOM 252 C CG . HIS A 0 29 . -12.787 3.708 11.135 1.00 64.79 29 A 1 ATOM 253 C CD2 . HIS A 0 29 . -12.533 3.450 9.810 1.00 64.79 29 A 1 ATOM 254 N ND1 . HIS A 0 29 . -13.332 4.971 11.187 1.00 64.79 29 A 1 ATOM 255 C CE1 . HIS A 0 29 . -13.449 5.431 9.930 1.00 64.79 29 A 1 ATOM 256 N NE2 . HIS A 0 29 . -12.925 4.561 9.053 1.00 64.79 29 A 1 ATOM 257 N N . GLY A 0 30 . -9.708 2.396 13.078 1.00 63.08 30 A 1 ATOM 258 C CA . GLY A 0 30 . -8.327 2.873 13.126 1.00 63.08 30 A 1 ATOM 259 C C . GLY A 0 30 . -7.363 1.827 12.569 1.00 63.08 30 A 1 ATOM 260 O O . GLY A 0 30 . -6.567 2.128 11.681 1.00 63.08 30 A 1 ATOM 261 N N . LEU A 0 31 . -7.521 0.573 13.004 1.00 66.15 31 A 1 ATOM 262 C CA . LEU A 0 31 . -6.767 -0.579 12.499 1.00 66.15 31 A 1 ATOM 263 C C . LEU A 0 31 . -6.967 -0.788 10.992 1.00 66.15 31 A 1 ATOM 264 C CB . LEU A 0 31 . -7.191 -1.822 13.309 1.00 66.15 31 A 1 ATOM 265 O O . LEU A 0 31 . -5.993 -0.963 10.259 1.00 66.15 31 A 1 ATOM 266 C CG . LEU A 0 31 . -6.135 -2.216 14.358 1.00 66.15 31 A 1 ATOM 267 C CD1 . LEU A 0 31 . -6.794 -2.790 15.609 1.00 66.15 31 A 1 ATOM 268 C CD2 . LEU A 0 31 . -5.177 -3.260 13.778 1.00 66.15 31 A 1 ATOM 269 N N . CYS A 0 32 . -8.208 -0.696 10.514 1.00 63.78 32 A 1 ATOM 270 C CA . CYS A 0 32 . -8.561 -0.867 9.109 1.00 63.78 32 A 1 ATOM 271 C C . CYS A 0 32 . -7.916 0.226 8.242 1.00 63.78 32 A 1 ATOM 272 C CB . CYS A 0 32 . -10.094 -0.919 9.005 1.00 63.78 32 A 1 ATOM 273 O O . CYS A 0 32 . -7.229 -0.094 7.268 1.00 63.78 32 A 1 ATOM 274 S SG . CYS A 0 32 . -10.792 -1.582 7.471 1.00 63.78 32 A 1 ATOM 275 N N . GLN A 0 33 . -8.020 1.505 8.630 1.00 65.92 33 A 1 ATOM 276 C CA . GLN A 0 33 . -7.339 2.607 7.935 1.00 65.92 33 A 1 ATOM 277 C C . GLN A 0 33 . -5.813 2.463 7.938 1.00 65.92 33 A 1 ATOM 278 C CB . GLN A 0 33 . -7.686 3.959 8.581 1.00 65.92 33 A 1 ATOM 279 O O . GLN A 0 33 . -5.163 2.784 6.938 1.00 65.92 33 A 1 ATOM 280 C CG . GLN A 0 33 . -8.920 4.627 7.964 1.00 65.92 33 A 1 ATOM 281 C CD . GLN A 0 33 . -9.033 6.098 8.363 1.00 65.92 33 A 1 ATOM 282 N NE2 . GLN A 0 33 . -9.855 6.870 7.691 1.00 65.92 33 A 1 ATOM 283 O OE1 . GLN A 0 33 . -8.361 6.613 9.237 1.00 65.92 33 A 1 ATOM 284 N N . GLN A 0 34 . -5.233 2.009 9.047 1.00 66.87 34 A 1 ATOM 285 C CA . GLN A 0 34 . -3.785 1.910 9.203 1.00 66.87 34 A 1 ATOM 286 C C . GLN A 0 34 . -3.200 0.744 8.395 1.00 66.87 34 A 1 ATOM 287 C CB . GLN A 0 34 . -3.484 1.855 10.704 1.00 66.87 34 A 1 ATOM 288 O O . GLN A 0 34 . -2.174 0.913 7.727 1.00 66.87 34 A 1 ATOM 289 C CG . GLN A 0 34 . -2.042 2.243 11.055 1.00 66.87 34 A 1 ATOM 290 C CD . GLN A 0 34 . -1.932 2.842 12.459 1.00 66.87 34 A 1 ATOM 291 N NE2 . GLN A 0 34 . -0.817 3.452 12.794 1.00 66.87 34 A 1 ATOM 292 O OE1 . GLN A 0 34 . -2.835 2.813 13.274 1.00 66.87 34 A 1 ATOM 293 N N . LEU A 0 35 . -3.902 -0.392 8.348 1.00 66.03 35 A 1 ATOM 294 C CA . LEU A 0 35 . -3.592 -1.507 7.449 1.00 66.03 35 A 1 ATOM 295 C C . LEU A 0 35 . -3.720 -1.094 5.980 1.00 66.03 35 A 1 ATOM 296 C CB . LEU A 0 35 . -4.523 -2.689 7.773 1.00 66.03 35 A 1 ATOM 297 O O . LEU A 0 35 . -2.804 -1.343 5.196 1.00 66.03 35 A 1 ATOM 298 C CG . LEU A 0 35 . -4.041 -3.519 8.975 1.00 66.03 35 A 1 ATOM 299 C CD1 . LEU A 0 35 . -5.187 -4.365 9.527 1.00 66.03 35 A 1 ATOM 300 C CD2 . LEU A 0 35 . -2.901 -4.459 8.570 1.00 66.03 35 A 1 ATOM 301 N N . GLY A 0 36 . -4.795 -0.383 5.624 1.00 66.64 36 A 1 ATOM 302 C CA . GLY A 0 36 . -5.012 0.104 4.261 1.00 66.64 36 A 1 ATOM 303 C C . GLY A 0 36 . -3.878 1.016 3.787 1.00 66.64 36 A 1 ATOM 304 O O . GLY A 0 36 . -3.297 0.782 2.729 1.00 66.64 36 A 1 ATOM 305 N N . LYS A 0 37 . -3.490 2.008 4.600 1.00 67.05 37 A 1 ATOM 306 C CA . LYS A 0 37 . -2.365 2.910 4.287 1.00 67.05 37 A 1 ATOM 307 C C . LYS A 0 37 . -1.041 2.163 4.129 1.00 67.05 37 A 1 ATOM 308 C CB . LYS A 0 37 . -2.230 3.986 5.372 1.00 67.05 37 A 1 ATOM 309 O O . LYS A 0 37 . -0.297 2.455 3.196 1.00 67.05 37 A 1 ATOM 310 C CG . LYS A 0 37 . -3.287 5.089 5.228 1.00 67.05 37 A 1 ATOM 311 C CD . LYS A 0 37 . -3.130 6.116 6.356 1.00 67.05 37 A 1 ATOM 312 C CE . LYS A 0 37 . -4.160 7.240 6.202 1.00 67.05 37 A 1 ATOM 313 N NZ . LYS A 0 37 . -4.099 8.189 7.343 1.00 67.05 37 A 1 ATOM 314 N N . THR A 0 38 . -0.761 1.199 5.005 1.00 71.43 38 A 1 ATOM 315 C CA . THR A 0 38 . 0.482 0.411 4.950 1.00 71.43 38 A 1 ATOM 316 C C . THR A 0 38 . 0.542 -0.430 3.678 1.00 71.43 38 A 1 ATOM 317 C CB . THR A 0 38 . 0.618 -0.489 6.187 1.00 71.43 38 A 1 ATOM 318 O O . THR A 0 38 . 1.559 -0.430 2.987 1.00 71.43 38 A 1 ATOM 319 C CG2 . THR A 0 38 . 1.976 -1.187 6.246 1.00 71.43 38 A 1 ATOM 320 O OG1 . THR A 0 38 . 0.507 0.294 7.355 1.00 71.43 38 A 1 ATOM 321 N N . PHE A 0 39 . -0.562 -1.088 3.321 1.00 72.69 39 A 1 ATOM 322 C CA . PHE A 0 39 . -0.636 -1.936 2.134 1.00 72.69 39 A 1 ATOM 323 C C . PHE A 0 39 . -0.493 -1.131 0.834 1.00 72.69 39 A 1 ATOM 324 C CB . PHE A 0 39 . -1.952 -2.717 2.179 1.00 72.69 39 A 1 ATOM 325 O O . PHE A 0 39 . 0.272 -1.512 -0.050 1.00 72.69 39 A 1 ATOM 326 C CG . PHE A 0 39 . -1.989 -3.870 1.201 1.00 72.69 39 A 1 ATOM 327 C CD1 . PHE A 0 39 . -2.681 -3.757 -0.018 1.00 72.69 39 A 1 ATOM 328 C CD2 . PHE A 0 39 . -1.320 -5.067 1.519 1.00 72.69 39 A 1 ATOM 329 C CE1 . PHE A 0 39 . -2.718 -4.847 -0.906 1.00 72.69 39 A 1 ATOM 330 C CE2 . PHE A 0 39 . -1.342 -6.149 0.622 1.00 72.69 39 A 1 ATOM 331 C CZ . PHE A 0 39 . -2.042 -6.039 -0.591 1.00 72.69 39 A 1 ATOM 332 N N . ILE A 0 40 . -1.153 0.028 0.744 1.00 71.71 40 A 1 ATOM 333 C CA . ILE A 0 40 . -1.014 0.949 -0.397 1.00 71.71 40 A 1 ATOM 334 C C . ILE A 0 40 . 0.426 1.451 -0.514 1.00 71.71 40 A 1 ATOM 335 C CB . ILE A 0 40 . -1.982 2.138 -0.242 1.00 71.71 40 A 1 ATOM 336 O O . ILE A 0 40 . 0.988 1.459 -1.606 1.00 71.71 40 A 1 ATOM 337 C CG1 . ILE A 0 40 . -3.447 1.663 -0.329 1.00 71.71 40 A 1 ATOM 338 C CG2 . ILE A 0 40 . -1.729 3.222 -1.310 1.00 71.71 40 A 1 ATOM 339 C CD1 . ILE A 0 40 . -4.401 2.633 0.385 1.00 71.71 40 A 1 ATOM 340 N N . SER A 0 41 . 1.038 1.841 0.607 1.00 69.09 41 A 1 ATOM 341 C CA . SER A 0 41 . 2.425 2.306 0.613 1.00 69.09 41 A 1 ATOM 342 C C . SER A 0 41 . 3.386 1.212 0.143 1.00 69.09 41 A 1 ATOM 343 C CB . SER A 0 41 . 2.809 2.788 2.012 1.00 69.09 41 A 1 ATOM 344 O O . SER A 0 41 . 4.325 1.504 -0.595 1.00 69.09 41 A 1 ATOM 345 O OG . SER A 0 41 . 3.950 3.616 1.939 1.00 69.09 41 A 1 ATOM 346 N N . LEU A 0 42 . 3.136 -0.046 0.521 1.00 73.99 42 A 1 ATOM 347 C CA . LEU A 0 42 . 3.921 -1.195 0.073 1.00 73.99 42 A 1 ATOM 348 C C . LEU A 0 42 . 3.762 -1.434 -1.436 1.00 73.99 42 A 1 ATOM 349 C CB . LEU A 0 42 . 3.497 -2.435 0.878 1.00 73.99 42 A 1 ATOM 350 O O . LEU A 0 42 . 4.754 -1.623 -2.134 1.00 73.99 42 A 1 ATOM 351 C CG . LEU A 0 42 . 4.593 -3.518 0.883 1.00 73.99 42 A 1 ATOM 352 C CD1 . LEU A 0 42 . 5.292 -3.556 2.243 1.00 73.99 42 A 1 ATOM 353 C CD2 . LEU A 0 42 . 4.012 -4.899 0.593 1.00 73.99 42 A 1 ATOM 354 N N . LEU A 0 43 . 2.530 -1.371 -1.952 1.00 73.87 43 A 1 ATOM 355 C CA . LEU A 0 43 . 2.253 -1.504 -3.384 1.00 73.87 43 A 1 ATOM 356 C C . LEU A 0 43 . 2.912 -0.389 -4.206 1.00 73.87 43 A 1 ATOM 357 C CB . LEU A 0 43 . 0.735 -1.519 -3.624 1.00 73.87 43 A 1 ATOM 358 O O . LEU A 0 43 . 3.519 -0.680 -5.233 1.00 73.87 43 A 1 ATOM 359 C CG . LEU A 0 43 . 0.032 -2.837 -3.256 1.00 73.87 43 A 1 ATOM 360 C CD1 . LEU A 0 43 . -1.476 -2.626 -3.390 1.00 73.87 43 A 1 ATOM 361 C CD2 . LEU A 0 43 . 0.435 -3.987 -4.185 1.00 73.87 43 A 1 ATOM 362 N N . CYS A 0 44 . 2.852 0.866 -3.752 1.00 72.81 44 A 1 ATOM 363 C CA . CYS A 0 44 . 3.556 1.975 -4.406 1.00 72.81 44 A 1 ATOM 364 C C . CYS A 0 44 . 5.078 1.794 -4.375 1.00 72.81 44 A 1 ATOM 365 C CB . CYS A 0 44 . 3.169 3.301 -3.735 1.00 72.81 44 A 1 ATOM 366 O O . CYS A 0 44 . 5.750 2.111 -5.352 1.00 72.81 44 A 1 ATOM 367 S SG . CYS A 0 44 . 1.565 3.875 -4.358 1.00 72.81 44 A 1 ATOM 368 N N . PHE A 0 45 . 5.630 1.264 -3.281 1.00 75.57 45 A 1 ATOM 369 C CA . PHE A 0 45 . 7.058 0.968 -3.192 1.00 75.57 45 A 1 ATOM 370 C C . PHE A 0 45 . 7.473 -0.139 -4.174 1.00 75.57 45 A 1 ATOM 371 C CB . PHE A 0 45 . 7.391 0.608 -1.741 1.00 75.57 45 A 1 ATOM 372 O O . PHE A 0 45 . 8.468 0.005 -4.881 1.00 75.57 45 A 1 ATOM 373 C CG . PHE A 0 45 . 8.870 0.434 -1.485 1.00 75.57 45 A 1 ATOM 374 C CD1 . PHE A 0 45 . 9.419 -0.852 -1.340 1.00 75.57 45 A 1 ATOM 375 C CD2 . PHE A 0 45 . 9.697 1.567 -1.379 1.00 75.57 45 A 1 ATOM 376 C CE1 . PHE A 0 45 . 10.788 -1.000 -1.061 1.00 75.57 45 A 1 ATOM 377 C CE2 . PHE A 0 45 . 11.072 1.416 -1.132 1.00 75.57 45 A 1 ATOM 378 C CZ . PHE A 0 45 . 11.618 0.131 -0.973 1.00 75.57 45 A 1 ATOM 379 N N . LEU A 0 46 . 6.676 -1.206 -4.280 1.00 77.41 46 A 1 ATOM 380 C CA . LEU A 0 46 . 6.869 -2.283 -5.255 1.00 77.41 46 A 1 ATOM 381 C C . LEU A 0 46 . 6.759 -1.787 -6.702 1.00 77.41 46 A 1 ATOM 382 C CB . LEU A 0 46 . 5.846 -3.398 -4.969 1.00 77.41 46 A 1 ATOM 383 O O . LEU A 0 46 . 7.583 -2.171 -7.528 1.00 77.41 46 A 1 ATOM 384 C CG . LEU A 0 46 . 6.403 -4.461 -4.004 1.00 77.41 46 A 1 ATOM 385 C CD1 . LEU A 0 46 . 5.324 -4.975 -3.054 1.00 77.41 46 A 1 ATOM 386 C CD2 . LEU A 0 46 . 6.952 -5.655 -4.788 1.00 77.41 46 A 1 ATOM 387 N N . ASP A 0 47 . 5.798 -0.913 -7.006 1.00 76.47 47 A 1 ATOM 388 C CA . ASP A 0 47 . 5.673 -0.296 -8.332 1.00 76.47 47 A 1 ATOM 389 C C . ASP A 0 47 . 6.871 0.614 -8.655 1.00 76.47 47 A 1 ATOM 390 C CB . ASP A 0 47 . 4.345 0.465 -8.422 1.00 76.47 47 A 1 ATOM 391 O O . ASP A 0 47 . 7.403 0.568 -9.763 1.00 76.47 47 A 1 ATOM 392 C CG . ASP A 0 47 . 4.105 0.978 -9.844 1.00 76.47 47 A 1 ATOM 393 O OD1 . ASP A 0 47 . 3.624 0.179 -10.682 1.00 76.47 47 A 1 ATOM 394 O OD2 . ASP A 0 47 . 4.417 2.163 -10.091 1.00 76.47 47 A 1 ATOM 395 N N . GLY A 0 48 . 7.371 1.370 -7.673 1.00 76.49 48 A 1 ATOM 396 C CA . GLY A 0 48 . 8.586 2.176 -7.811 1.00 76.49 48 A 1 ATOM 397 C C . GLY A 0 48 . 9.839 1.332 -8.070 1.00 76.49 48 A 1 ATOM 398 O O . GLY A 0 48 . 10.621 1.646 -8.973 1.00 76.49 48 A 1 ATOM 399 N N . ILE A 0 49 . 10.012 0.227 -7.335 1.00 82.68 49 A 1 ATOM 400 C CA . ILE A 0 49 . 11.094 -0.741 -7.577 1.00 82.68 49 A 1 ATOM 401 C C . ILE A 0 49 . 10.951 -1.352 -8.968 1.00 82.68 49 A 1 ATOM 402 C CB . ILE A 0 49 . 11.130 -1.842 -6.490 1.00 82.68 49 A 1 ATOM 403 O O . ILE A 0 49 . 11.933 -1.424 -9.702 1.00 82.68 49 A 1 ATOM 404 C CG1 . ILE A 0 49 . 11.637 -1.225 -5.171 1.00 82.68 49 A 1 ATOM 405 C CG2 . ILE A 0 49 . 12.048 -3.016 -6.906 1.00 82.68 49 A 1 ATOM 406 C CD1 . ILE A 0 49 . 11.635 -2.186 -3.979 1.00 82.68 49 A 1 ATOM 407 N N . TRP A 0 50 . 9.743 -1.764 -9.348 1.00 77.36 50 A 1 ATOM 408 C CA . TRP A 0 50 . 9.491 -2.366 -10.651 1.00 77.36 50 A 1 ATOM 409 C C . TRP A 0 50 . 9.796 -1.396 -11.794 1.00 77.36 50 A 1 ATOM 410 C CB . TRP A 0 50 . 8.048 -2.866 -10.716 1.00 77.36 50 A 1 ATOM 411 O O . TRP A 0 50 . 10.509 -1.760 -12.726 1.00 77.36 50 A 1 ATOM 412 C CG . TRP A 0 50 . 7.743 -3.584 -11.988 1.00 77.36 50 A 1 ATOM 413 C CD1 . TRP A 0 50 . 7.074 -3.070 -13.042 1.00 77.36 50 A 1 ATOM 414 C CD2 . TRP A 0 50 . 8.196 -4.908 -12.398 1.00 77.36 50 A 1 ATOM 415 C CE2 . TRP A 0 50 . 7.743 -5.143 -13.729 1.00 77.36 50 A 1 ATOM 416 C CE3 . TRP A 0 50 . 8.971 -5.918 -11.789 1.00 77.36 50 A 1 ATOM 417 N NE1 . TRP A 0 50 . 7.070 -3.989 -14.075 1.00 77.36 50 A 1 ATOM 418 C CH2 . TRP A 0 50 . 8.798 -7.319 -13.783 1.00 77.36 50 A 1 ATOM 419 C CZ2 . TRP A 0 50 . 8.032 -6.328 -14.421 1.00 77.36 50 A 1 ATOM 420 C CZ3 . TRP A 0 50 . 9.268 -7.112 -12.473 1.00 77.36 50 A 1 ATOM 421 N N . ASN A 0 51 . 9.342 -0.144 -11.706 1.00 74.76 51 A 1 ATOM 422 C CA . ASN A 0 51 . 9.657 0.887 -12.696 1.00 74.76 51 A 1 ATOM 423 C C . ASN A 0 51 . 11.155 1.206 -12.748 1.00 74.76 51 A 1 ATOM 424 C CB . ASN A 0 51 . 8.838 2.153 -12.407 1.00 74.76 51 A 1 ATOM 425 O O . ASN A 0 51 . 11.686 1.417 -13.833 1.00 74.76 51 A 1 ATOM 426 C CG . ASN A 0 51 . 7.456 2.074 -13.023 1.00 74.76 51 A 1 ATOM 427 N ND2 . ASN A 0 51 . 6.415 2.120 -12.229 1.00 74.76 51 A 1 ATOM 428 O OD1 . ASN A 0 51 . 7.305 1.952 -14.229 1.00 74.76 51 A 1 ATOM 429 N N . THR A 0 52 . 11.853 1.191 -11.611 1.00 78.97 52 A 1 ATOM 430 C CA . THR A 0 52 . 13.309 1.393 -11.569 1.00 78.97 52 A 1 ATOM 431 C C . THR A 0 52 . 14.048 0.214 -12.198 1.00 78.97 52 A 1 ATOM 432 C CB . THR A 0 52 . 13.792 1.613 -10.130 1.00 78.97 52 A 1 ATOM 433 O O . THR A 0 52 . 14.977 0.419 -12.971 1.00 78.97 52 A 1 ATOM 434 C CG2 . THR A 0 52 . 15.293 1.894 -10.053 1.00 78.97 52 A 1 ATOM 435 O OG1 . THR A 0 52 . 13.134 2.722 -9.565 1.00 78.97 52 A 1 ATOM 436 N N . LEU A 0 53 . 13.614 -1.019 -11.930 1.00 83.01 53 A 1 ATOM 437 C CA . LEU A 0 53 . 14.185 -2.234 -12.510 1.00 83.01 53 A 1 ATOM 438 C C . LEU A 0 53 . 13.967 -2.277 -14.028 1.00 83.01 53 A 1 ATOM 439 C CB . LEU A 0 53 . 13.539 -3.451 -11.824 1.00 83.01 53 A 1 ATOM 440 O O . LEU A 0 53 . 14.906 -2.509 -14.783 1.00 83.01 53 A 1 ATOM 441 C CG . LEU A 0 53 . 14.216 -4.782 -12.196 1.00 83.01 53 A 1 ATOM 442 C CD1 . LEU A 0 53 . 15.498 -4.991 -11.388 1.00 83.01 53 A 1 ATOM 443 C CD2 . LEU A 0 53 . 13.268 -5.949 -11.924 1.00 83.01 53 A 1 ATOM 444 N N . VAL A 0 54 . 12.743 -2.007 -14.483 1.00 75.86 54 A 1 ATOM 445 C CA . VAL A 0 54 . 12.409 -1.904 -15.909 1.00 75.86 54 A 1 ATOM 446 C C . VAL A 0 54 . 13.186 -0.751 -16.546 1.00 75.86 54 A 1 ATOM 447 C CB . VAL A 0 54 . 10.887 -1.743 -16.091 1.00 75.86 54 A 1 ATOM 448 O O . VAL A 0 54 . 13.780 -0.934 -17.601 1.00 75.86 54 A 1 ATOM 449 C CG1 . VAL A 0 54 . 10.461 -1.431 -17.531 1.00 75.86 54 A 1 ATOM 450 C CG2 . VAL A 0 54 . 10.159 -3.038 -15.698 1.00 75.86 54 A 1 ATOM 451 N N . GLY A 0 55 . 13.266 0.405 -15.889 1.00 73.55 55 A 1 ATOM 452 C CA . GLY A 0 55 . 14.079 1.537 -16.331 1.00 73.55 55 A 1 ATOM 453 C C . GLY A 0 55 . 15.570 1.209 -16.409 1.00 73.55 55 A 1 ATOM 454 O O . GLY A 0 55 . 16.248 1.695 -17.300 1.00 73.55 55 A 1 ATOM 455 N N . PHE A 0 56 . 16.083 0.329 -15.554 1.00 77.96 56 A 1 ATOM 456 C CA . PHE A 0 56 . 17.470 -0.126 -15.615 1.00 77.96 56 A 1 ATOM 457 C C . PHE A 0 56 . 17.700 -1.109 -16.773 1.00 77.96 56 A 1 ATOM 458 C CB . PHE A 0 56 . 17.838 -0.732 -14.256 1.00 77.96 56 A 1 ATOM 459 O O . PHE A 0 56 . 18.674 -0.985 -17.511 1.00 77.96 56 A 1 ATOM 460 C CG . PHE A 0 56 . 19.327 -0.856 -14.036 1.00 77.96 56 A 1 ATOM 461 C CD1 . PHE A 0 56 . 19.998 -2.052 -14.343 1.00 77.96 56 A 1 ATOM 462 C CD2 . PHE A 0 56 . 20.044 0.245 -13.531 1.00 77.96 56 A 1 ATOM 463 C CE1 . PHE A 0 56 . 21.386 -2.149 -14.139 1.00 77.96 56 A 1 ATOM 464 C CE2 . PHE A 0 56 . 21.431 0.148 -13.329 1.00 77.96 56 A 1 ATOM 465 C CZ . PHE A 0 56 . 22.102 -1.050 -13.632 1.00 77.96 56 A 1 ATOM 466 N N . ILE A 0 57 . 16.776 -2.055 -16.976 1.00 76.79 57 A 1 ATOM 467 C CA . ILE A 0 57 . 16.863 -3.072 -18.037 1.00 76.79 57 A 1 ATOM 468 C C . ILE A 0 57 . 16.660 -2.453 -19.427 1.00 76.79 57 A 1 ATOM 469 C CB . ILE A 0 57 . 15.851 -4.212 -17.760 1.00 76.79 57 A 1 ATOM 470 O O . ILE A 0 57 . 17.370 -2.804 -20.365 1.00 76.79 57 A 1 ATOM 471 C CG1 . ILE A 0 57 . 16.228 -4.975 -16.467 1.00 76.79 57 A 1 ATOM 472 C CG2 . ILE A 0 57 . 15.785 -5.206 -18.937 1.00 76.79 57 A 1 ATOM 473 C CD1 . ILE A 0 57 . 15.115 -5.890 -15.939 1.00 76.79 57 A 1 ATOM 474 N N . TYR A 0 58 . 15.701 -1.537 -19.570 1.00 68.72 58 A 1 ATOM 475 C CA . TYR A 0 58 . 15.342 -0.929 -20.854 1.00 68.72 58 A 1 ATOM 476 C C . TYR A 0 58 . 15.990 0.444 -21.079 1.00 68.72 58 A 1 ATOM 477 C CB . TYR A 0 58 . 13.812 -0.861 -20.977 1.00 68.72 58 A 1 ATOM 478 O O . TYR A 0 58 . 16.241 0.815 -22.222 1.00 68.72 58 A 1 ATOM 479 C CG . TYR A 0 58 . 13.138 -2.213 -21.148 1.00 68.72 58 A 1 ATOM 480 C CD1 . TYR A 0 58 . 13.007 -2.765 -22.435 1.00 68.72 58 A 1 ATOM 481 C CD2 . TYR A 0 58 . 12.646 -2.922 -20.036 1.00 68.72 58 A 1 ATOM 482 C CE1 . TYR A 0 58 . 12.372 -4.009 -22.613 1.00 68.72 58 A 1 ATOM 483 C CE2 . TYR A 0 58 . 11.999 -4.160 -20.205 1.00 68.72 58 A 1 ATOM 484 O OH . TYR A 0 58 . 11.233 -5.898 -21.660 1.00 68.72 58 A 1 ATOM 485 C CZ . TYR A 0 58 . 11.859 -4.704 -21.496 1.00 68.72 58 A 1 ATOM 486 N N . GLY A 0 59 . 16.295 1.195 -20.018 1.00 59.65 59 A 1 ATOM 487 C CA . GLY A 0 59 . 16.968 2.499 -20.092 1.00 59.65 59 A 1 ATOM 488 C C . GLY A 0 59 . 18.492 2.412 -20.192 1.00 59.65 59 A 1 ATOM 489 O O . GLY A 0 59 . 19.112 3.379 -20.618 1.00 59.65 59 A 1 ATOM 490 N N . GLY A 0 60 . 19.095 1.243 -19.935 1.00 49.14 60 A 1 ATOM 491 C CA . GLY A 0 60 . 20.503 0.968 -20.260 1.00 49.14 60 A 1 ATOM 492 C C . GLY A 0 60 . 20.820 0.940 -21.766 1.00 49.14 60 A 1 ATOM 493 O O . GLY A 0 60 . 21.972 0.746 -22.138 1.00 49.14 60 A 1 ATOM 494 N N . ALA A 0 61 . 19.817 1.131 -22.634 1.00 48.36 61 A 1 ATOM 495 C CA . ALA A 0 61 . 19.973 1.213 -24.086 1.00 48.36 61 A 1 ATOM 496 C C . ALA A 0 61 . 19.744 2.622 -24.671 1.00 48.36 61 A 1 ATOM 497 C CB . ALA A 0 61 . 19.075 0.149 -24.729 1.00 48.36 61 A 1 ATOM 498 O O . ALA A 0 61 . 19.853 2.785 -25.885 1.00 48.36 61 A 1 ATOM 499 N N . THR A 0 62 . 19.466 3.648 -23.857 1.00 41.85 62 A 1 ATOM 500 C CA . THR A 0 62 . 19.371 5.041 -24.336 1.00 41.85 62 A 1 ATOM 501 C C . THR A 0 62 . 19.829 6.052 -23.280 1.00 41.85 62 A 1 ATOM 502 C CB . THR A 0 62 . 17.969 5.412 -24.868 1.00 41.85 62 A 1 ATOM 503 O O . THR A 0 62 . 19.016 6.815 -22.753 1.00 41.85 62 A 1 ATOM 504 C CG2 . THR A 0 62 . 17.597 4.762 -26.199 1.00 41.85 62 A 1 ATOM 505 O OG1 . THR A 0 62 . 16.974 5.073 -23.930 1.00 41.85 62 A 1 ATOM 506 N N . GLN A 0 63 . 21.128 6.038 -22.976 1.00 40.66 63 A 1 ATOM 507 C CA . GLN A 0 63 . 22.043 7.195 -22.943 1.00 40.66 63 A 1 ATOM 508 C C . GLN A 0 63 . 23.465 6.718 -22.647 1.00 40.66 63 A 1 ATOM 509 C CB . GLN A 0 63 . 21.613 8.289 -21.949 1.00 40.66 63 A 1 ATOM 510 O O . GLN A 0 63 . 23.626 5.910 -21.708 1.00 40.66 63 A 1 ATOM 511 C CG . GLN A 0 63 . 20.962 9.445 -22.722 1.00 40.66 63 A 1 ATOM 512 C CD . GLN A 0 63 . 20.365 10.500 -21.802 1.00 40.66 63 A 1 ATOM 513 N NE2 . GLN A 0 63 . 19.056 10.549 -21.672 1.00 40.66 63 A 1 ATOM 514 O OE1 . GLN A 0 63 . 21.041 11.309 -21.189 1.00 40.66 63 A 1 ATOM 515 O OXT . GLN A 0 63 . 24.343 7.154 -23.418 1.00 40.66 63 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 64.88 # loop_ _atom_type.symbol C N O S #