# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb39643 # _entry.id spkb39643 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C4 H9 N O2" 103.120 UNK y UNKNOWN CC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n LEU 2 1 n PRO 3 1 n SER 4 1 n MET 5 1 n SER 6 1 n LEU 7 1 n PRO 8 1 n SER 9 1 n LEU 10 1 n UNK 11 1 n TRP 12 1 n MET 13 1 n LEU 14 1 n LEU 15 1 n SER 16 1 n CYS 17 1 n LEU 18 1 n MET 19 1 n LEU 20 1 n LEU 21 1 n SER 22 1 n GLN 23 1 n VAL 24 1 n GLN 25 1 n GLY 26 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-09 05:19:51)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 88.06 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 67.03 1 1 A LEU 2 2 66.59 1 2 A PRO 3 2 75.06 1 3 A SER 4 2 78.23 1 4 A MET 5 2 74.66 1 5 A SER 6 2 81.99 1 6 A LEU 7 2 86.64 1 7 A PRO 8 2 92.45 1 8 A SER 9 2 92.93 1 9 A LEU 10 2 93.33 1 10 A UNK 11 2 97.22 1 11 A TRP 12 2 92.74 1 12 A MET 13 2 91.89 1 13 A LEU 14 2 94.47 1 14 A LEU 15 2 95.32 1 15 A SER 16 2 95.89 1 16 A CYS 17 2 96.92 1 17 A LEU 18 2 95.31 1 18 A MET 19 2 92.61 1 19 A LEU 20 2 94.34 1 20 A LEU 21 2 94.73 1 21 A SER 22 2 94.88 1 22 A GLN 23 2 90.82 1 23 A VAL 24 2 93.60 1 24 A GLN 25 2 84.65 1 25 A GLY 26 2 73.62 1 26 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n LEU . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n MET . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PRO . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n UNK . 11 A 11 A 12 1 n TRP . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n CYS . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n MET . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n GLN . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n GLN . 25 A 25 A 26 1 n GLY . 26 A 26 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # 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 1 1 ? -14.602 14.296 -3.076 1.00 70.50 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.356 12.974 -2.471 1.00 73.58 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.461 13.112 -1.248 1.00 75.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.421 13.759 -1.322 1.00 71.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.676 12.040 -3.475 1.00 68.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.577 11.690 -4.641 1.00 65.41 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.741 10.627 -5.834 1.00 59.91 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.030 10.411 -7.036 1.00 51.01 1 A 1 ATOM 9 N N . LEU A 1 2 ? -13.869 12.538 -0.122 1.00 69.23 2 A 1 ATOM 10 C CA . LEU A 1 2 ? -13.079 12.584 1.102 1.00 71.35 2 A 1 ATOM 11 C C . LEU A 1 2 ? -12.195 11.347 1.210 1.00 74.22 2 A 1 ATOM 12 O O . LEU A 1 2 ? -12.590 10.261 0.766 1.00 70.02 2 A 1 ATOM 13 C CB . LEU A 1 2 ? -13.996 12.686 2.328 1.00 66.20 2 A 1 ATOM 14 C CG . LEU A 1 2 ? -14.875 11.462 2.567 1.00 63.29 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? -15.015 11.214 4.055 1.00 59.45 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? -16.243 11.657 1.936 1.00 58.95 2 A 1 ATOM 17 N N . PRO A 1 3 ? -10.991 11.491 1.778 1.00 75.71 3 A 1 ATOM 18 C CA . PRO A 1 3 ? -10.066 10.366 1.943 1.00 78.12 3 A 1 ATOM 19 C C . PRO A 1 3 ? -10.568 9.380 2.999 1.00 80.03 3 A 1 ATOM 20 O O . PRO A 1 3 ? -10.346 9.563 4.196 1.00 75.06 3 A 1 ATOM 21 C CB . PRO A 1 3 ? -8.759 11.036 2.389 1.00 72.84 3 A 1 ATOM 22 C CG . PRO A 1 3 ? -9.164 12.328 3.009 1.00 70.17 3 A 1 ATOM 23 C CD . PRO A 1 3 ? -10.429 12.750 2.293 1.00 73.46 3 A 1 ATOM 24 N N . SER A 1 4 ? -11.244 8.346 2.554 1.00 80.36 4 A 1 ATOM 25 C CA . SER A 1 4 ? -11.773 7.329 3.453 1.00 82.50 4 A 1 ATOM 26 C C . SER A 1 4 ? -10.776 6.188 3.602 1.00 83.64 4 A 1 ATOM 27 O O . SER A 1 4 ? -10.407 5.544 2.621 1.00 79.31 4 A 1 ATOM 28 C CB . SER A 1 4 ? -13.102 6.802 2.928 1.00 77.00 4 A 1 ATOM 29 O OG . SER A 1 4 ? -14.056 7.842 2.851 1.00 66.59 4 A 1 ATOM 30 N N . MET A 1 5 ? -10.332 5.954 4.827 1.00 81.38 5 A 1 ATOM 31 C CA . MET A 1 5 ? -9.387 4.878 5.103 1.00 80.99 5 A 1 ATOM 32 C C . MET A 1 5 ? -10.131 3.590 5.438 1.00 83.00 5 A 1 ATOM 33 O O . MET A 1 5 ? -10.931 3.551 6.363 1.00 79.32 5 A 1 ATOM 34 C CB . MET A 1 5 ? -8.468 5.264 6.258 1.00 75.99 5 A 1 ATOM 35 C CG . MET A 1 5 ? -7.353 6.198 5.819 1.00 71.56 5 A 1 ATOM 36 S SD . MET A 1 5 ? -6.165 5.369 4.776 1.00 66.50 5 A 1 ATOM 37 C CE . MET A 1 5 ? -4.701 6.341 5.118 1.00 58.50 5 A 1 ATOM 38 N N . SER A 1 6 ? -9.868 2.551 4.673 1.00 82.25 6 A 1 ATOM 39 C CA . SER A 1 6 ? -10.484 1.250 4.900 1.00 86.01 6 A 1 ATOM 40 C C . SER A 1 6 ? -9.411 0.222 5.247 1.00 88.47 6 A 1 ATOM 41 O O . SER A 1 6 ? -8.286 0.301 4.759 1.00 85.25 6 A 1 ATOM 42 C CB . SER A 1 6 ? -11.270 0.809 3.668 1.00 80.59 6 A 1 ATOM 43 O OG . SER A 1 6 ? -10.555 1.049 2.483 1.00 69.38 6 A 1 ATOM 44 N N . LEU A 1 7 ? -9.753 -0.731 6.092 1.00 90.88 7 A 1 ATOM 45 C CA . LEU A 1 7 ? -8.814 -1.777 6.499 1.00 91.39 7 A 1 ATOM 46 C C . LEU A 1 7 ? -8.272 -2.560 5.302 1.00 92.92 7 A 1 ATOM 47 O O . LEU A 1 7 ? -7.053 -2.729 5.183 1.00 92.40 7 A 1 ATOM 48 C CB . LEU A 1 7 ? -9.487 -2.720 7.494 1.00 89.51 7 A 1 ATOM 49 C CG . LEU A 1 7 ? -9.674 -2.129 8.885 1.00 82.63 7 A 1 ATOM 50 C CD1 . LEU A 1 7 ? -10.572 -3.018 9.721 1.00 77.60 7 A 1 ATOM 51 C CD2 . LEU A 1 7 ? -8.327 -1.955 9.573 1.00 75.82 7 A 1 ATOM 52 N N . PRO A 1 8 ? -9.141 -3.047 4.398 1.00 93.56 8 A 1 ATOM 53 C CA . PRO A 1 8 ? -8.659 -3.787 3.223 1.00 94.40 8 A 1 ATOM 54 C C . PRO A 1 8 ? -7.779 -2.943 2.315 1.00 95.54 8 A 1 ATOM 55 O O . PRO A 1 8 ? -6.797 -3.441 1.767 1.00 94.02 8 A 1 ATOM 56 C CB . PRO A 1 8 ? -9.945 -4.216 2.510 1.00 91.32 8 A 1 ATOM 57 C CG . PRO A 1 8 ? -11.007 -3.325 3.042 1.00 87.85 8 A 1 ATOM 58 C CD . PRO A 1 8 ? -10.597 -2.979 4.445 1.00 90.44 8 A 1 ATOM 59 N N . SER A 1 9 ? -8.119 -1.665 2.151 1.00 95.31 9 A 1 ATOM 60 C CA . SER A 1 9 ? -7.324 -0.762 1.319 1.00 95.97 9 A 1 ATOM 61 C C . SER A 1 9 ? -5.956 -0.509 1.939 1.00 96.68 9 A 1 ATOM 62 O O . SER A 1 9 ? -4.947 -0.461 1.235 1.00 95.37 9 A 1 ATOM 63 C CB . SER A 1 9 ? -8.049 0.563 1.121 1.00 93.84 9 A 1 ATOM 64 O OG . SER A 1 9 ? -9.190 0.378 0.315 1.00 80.43 9 A 1 ATOM 65 N N . LEU A 1 10 ? -5.917 -0.338 3.270 1.00 96.38 10 A 1 ATOM 66 C CA . LEU A 1 10 ? -4.663 -0.120 3.983 1.00 96.51 10 A 1 ATOM 67 C C . LEU A 1 10 ? -3.746 -1.325 3.835 1.00 97.04 10 A 1 ATOM 68 O O . LEU A 1 10 ? -2.559 -1.187 3.539 1.00 96.88 10 A 1 ATOM 69 C CB . LEU A 1 10 ? -4.931 0.131 5.465 1.00 96.14 10 A 1 ATOM 70 C CG . LEU A 1 10 ? -3.722 0.710 6.199 1.00 90.95 10 A 1 ATOM 71 C CD1 . LEU A 1 10 ? -3.725 2.227 6.109 1.00 85.73 10 A 1 ATOM 72 C CD2 . LEU A 1 10 ? -3.725 0.270 7.653 1.00 87.00 10 A 1 HETATM 73 N N . UNK A 1 11 ? -4.292 -2.522 4.047 1.00 97.32 11 A 1 HETATM 74 C CA . UNK A 1 11 ? -3.533 -3.760 3.917 1.00 97.15 11 A 1 HETATM 75 C C . UNK A 1 11 ? -3.029 -3.940 2.503 1.00 97.42 11 A 1 HETATM 76 O O . UNK A 1 11 ? -1.883 -4.336 2.277 1.00 97.01 11 A 1 ATOM 77 N N . TRP A 1 12 ? -3.881 -3.626 1.522 1.00 96.72 12 A 1 ATOM 78 C CA . TRP A 1 12 ? -3.520 -3.730 0.108 1.00 96.87 12 A 1 ATOM 79 C C . TRP A 1 12 ? -2.392 -2.767 -0.238 1.00 97.34 12 A 1 ATOM 80 O O . TRP A 1 12 ? -1.463 -3.128 -0.965 1.00 96.98 12 A 1 ATOM 81 C CB . TRP A 1 12 ? -4.742 -3.434 -0.756 1.00 96.37 12 A 1 ATOM 82 C CG . TRP A 1 12 ? -4.457 -3.580 -2.214 1.00 93.69 12 A 1 ATOM 83 C CD1 . TRP A 1 12 ? -4.204 -2.577 -3.093 1.00 90.07 12 A 1 ATOM 84 C CD2 . TRP A 1 12 ? -4.370 -4.807 -2.963 1.00 92.30 12 A 1 ATOM 85 N NE1 . TRP A 1 12 ? -3.964 -3.104 -4.347 1.00 89.12 12 A 1 ATOM 86 C CE2 . TRP A 1 12 ? -4.061 -4.468 -4.300 1.00 91.67 12 A 1 ATOM 87 C CE3 . TRP A 1 12 ? -4.527 -6.156 -2.634 1.00 90.24 12 A 1 ATOM 88 C CZ2 . TRP A 1 12 ? -3.910 -5.435 -5.295 1.00 91.44 12 A 1 ATOM 89 C CZ3 . TRP A 1 12 ? -4.379 -7.123 -3.630 1.00 87.70 12 A 1 ATOM 90 C CH2 . TRP A 1 12 ? -4.071 -6.756 -4.946 1.00 87.88 12 A 1 ATOM 91 N N . MET A 1 13 ? -2.469 -1.541 0.290 1.00 97.13 13 A 1 ATOM 92 C CA . MET A 1 13 ? -1.435 -0.532 0.056 1.00 97.13 13 A 1 ATOM 93 C C . MET A 1 13 ? -0.085 -0.999 0.593 1.00 97.65 13 A 1 ATOM 94 O O . MET A 1 13 ? 0.927 -0.924 -0.100 1.00 97.26 13 A 1 ATOM 95 C CB . MET A 1 13 ? -1.819 0.786 0.724 1.00 96.64 13 A 1 ATOM 96 C CG . MET A 1 13 ? -2.652 1.673 -0.182 1.00 90.91 13 A 1 ATOM 97 S SD . MET A 1 13 ? -2.997 3.263 0.568 1.00 83.49 13 A 1 ATOM 98 C CE . MET A 1 13 ? -3.404 4.214 -0.887 1.00 74.94 13 A 1 ATOM 99 N N . LEU A 1 14 ? -0.078 -1.472 1.831 1.00 97.12 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 1.150 -1.950 2.455 1.00 97.34 14 A 1 ATOM 101 C C . LEU A 1 14 ? 1.713 -3.153 1.711 1.00 97.74 14 A 1 ATOM 102 O O . LEU A 1 14 ? 2.918 -3.237 1.468 1.00 97.75 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 0.876 -2.319 3.912 1.00 97.11 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 0.650 -1.118 4.823 1.00 90.70 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 0.090 -1.571 6.159 1.00 88.14 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 1.953 -0.358 5.034 1.00 89.86 14 A 1 ATOM 107 N N . LEU A 1 15 ? 0.834 -4.064 1.339 1.00 97.82 15 A 1 ATOM 108 C CA . LEU A 1 15 ? 1.237 -5.266 0.616 1.00 97.74 15 A 1 ATOM 109 C C . LEU A 1 15 ? 1.843 -4.906 -0.734 1.00 97.93 15 A 1 ATOM 110 O O . LEU A 1 15 ? 2.889 -5.436 -1.122 1.00 97.70 15 A 1 ATOM 111 C CB . LEU A 1 15 ? 0.023 -6.182 0.435 1.00 97.38 15 A 1 ATOM 112 C CG . LEU A 1 15 ? 0.334 -7.672 0.573 1.00 92.84 15 A 1 ATOM 113 C CD1 . LEU A 1 15 ? -0.962 -8.463 0.712 1.00 89.84 15 A 1 ATOM 114 C CD2 . LEU A 1 15 ? 1.126 -8.184 -0.611 1.00 91.31 15 A 1 ATOM 115 N N . SER A 1 16 ? 1.192 -3.987 -1.453 1.00 97.69 16 A 1 ATOM 116 C CA . SER A 1 16 ? 1.668 -3.547 -2.762 1.00 97.60 16 A 1 ATOM 117 C C . SER A 1 16 ? 3.021 -2.855 -2.647 1.00 97.83 16 A 1 ATOM 118 O O . SER A 1 16 ? 3.926 -3.117 -3.437 1.00 97.20 16 A 1 ATOM 119 C CB . SER A 1 16 ? 0.656 -2.598 -3.401 1.00 96.83 16 A 1 ATOM 120 O OG . SER A 1 16 ? -0.565 -3.257 -3.644 1.00 88.18 16 A 1 ATOM 121 N N . CYS A 1 17 ? 3.162 -1.970 -1.652 1.00 97.54 17 A 1 ATOM 122 C CA . CYS A 1 17 ? 4.412 -1.247 -1.440 1.00 97.73 17 A 1 ATOM 123 C C . CYS A 1 17 ? 5.555 -2.207 -1.115 1.00 97.94 17 A 1 ATOM 124 O O . CYS A 1 17 ? 6.636 -2.111 -1.689 1.00 97.29 17 A 1 ATOM 125 C CB . CYS A 1 17 ? 4.240 -0.232 -0.306 1.00 97.46 17 A 1 ATOM 126 S SG . CYS A 1 17 ? 3.257 1.192 -0.805 1.00 93.55 17 A 1 ATOM 127 N N . LEU A 1 18 ? 5.306 -3.122 -0.193 1.00 97.31 18 A 1 ATOM 128 C CA . LEU A 1 18 ? 6.326 -4.090 0.207 1.00 97.19 18 A 1 ATOM 129 C C . LEU A 1 18 ? 6.695 -5.010 -0.951 1.00 97.45 18 A 1 ATOM 130 O O . LEU A 1 18 ? 7.870 -5.318 -1.161 1.00 97.20 18 A 1 ATOM 131 C CB . LEU A 1 18 ? 5.814 -4.916 1.386 1.00 96.80 18 A 1 ATOM 132 C CG . LEU A 1 18 ? 5.734 -4.140 2.696 1.00 94.40 18 A 1 ATOM 133 C CD1 . LEU A 1 18 ? 4.943 -4.926 3.728 1.00 90.79 18 A 1 ATOM 134 C CD2 . LEU A 1 18 ? 7.131 -3.844 3.228 1.00 91.32 18 A 1 ATOM 135 N N . MET A 1 19 ? 5.692 -5.437 -1.699 1.00 97.80 19 A 1 ATOM 136 C CA . MET A 1 19 ? 5.911 -6.315 -2.848 1.00 97.42 19 A 1 ATOM 137 C C . MET A 1 19 ? 6.748 -5.618 -3.922 1.00 97.65 19 A 1 ATOM 138 O O . MET A 1 19 ? 7.702 -6.192 -4.446 1.00 97.21 19 A 1 ATOM 139 C CB . MET A 1 19 ? 4.566 -6.752 -3.429 1.00 97.02 19 A 1 ATOM 140 C CG . MET A 1 19 ? 4.691 -7.955 -4.330 1.00 92.97 19 A 1 ATOM 141 S SD . MET A 1 19 ? 3.134 -8.428 -5.097 1.00 84.14 19 A 1 ATOM 142 C CE . MET A 1 19 ? 2.350 -9.290 -3.753 1.00 76.64 19 A 1 ATOM 143 N N . LEU A 1 20 ? 6.382 -4.372 -4.232 1.00 96.84 20 A 1 ATOM 144 C CA . LEU A 1 20 ? 7.105 -3.600 -5.241 1.00 96.97 20 A 1 ATOM 145 C C . LEU A 1 20 ? 8.539 -3.336 -4.802 1.00 97.58 20 A 1 ATOM 146 O O . LEU A 1 20 ? 9.473 -3.482 -5.593 1.00 97.39 20 A 1 ATOM 147 C CB . LEU A 1 20 ? 6.381 -2.274 -5.499 1.00 96.67 20 A 1 ATOM 148 C CG . LEU A 1 20 ? 5.085 -2.412 -6.296 1.00 91.09 20 A 1 ATOM 149 C CD1 . LEU A 1 20 ? 4.272 -1.131 -6.213 1.00 88.45 20 A 1 ATOM 150 C CD2 . LEU A 1 20 ? 5.392 -2.740 -7.754 1.00 89.74 20 A 1 ATOM 151 N N . LEU A 1 21 ? 8.716 -2.947 -3.531 1.00 97.64 21 A 1 ATOM 152 C CA . LEU A 1 21 ? 10.051 -2.690 -2.994 1.00 97.52 21 A 1 ATOM 153 C C . LEU A 1 21 ? 10.898 -3.954 -3.024 1.00 97.51 21 A 1 ATOM 154 O O . LEU A 1 21 ? 12.081 -3.913 -3.364 1.00 97.14 21 A 1 ATOM 155 C CB . LEU A 1 21 ? 9.940 -2.164 -1.560 1.00 97.26 21 A 1 ATOM 156 C CG . LEU A 1 21 ? 9.529 -0.695 -1.470 1.00 93.65 21 A 1 ATOM 157 C CD1 . LEU A 1 21 ? 9.129 -0.348 -0.042 1.00 87.97 21 A 1 ATOM 158 C CD2 . LEU A 1 21 ? 10.673 0.205 -1.919 1.00 89.18 21 A 1 ATOM 159 N N . SER A 1 22 ? 10.295 -5.068 -2.686 1.00 97.63 22 A 1 ATOM 160 C CA . SER A 1 22 ? 10.993 -6.351 -2.679 1.00 97.49 22 A 1 ATOM 161 C C . SER A 1 22 ? 11.424 -6.751 -4.084 1.00 97.46 22 A 1 ATOM 162 O O . SER A 1 22 ? 12.517 -7.284 -4.283 1.00 95.95 22 A 1 ATOM 163 C CB . SER A 1 22 ? 10.089 -7.425 -2.091 1.00 96.34 22 A 1 ATOM 164 O OG . SER A 1 22 ? 10.796 -8.627 -1.933 1.00 84.43 22 A 1 ATOM 165 N N . GLN A 1 23 ? 10.571 -6.490 -5.061 1.00 97.44 23 A 1 ATOM 166 C CA . GLN A 1 23 ? 10.876 -6.824 -6.451 1.00 97.23 23 A 1 ATOM 167 C C . GLN A 1 23 ? 11.946 -5.908 -7.030 1.00 97.39 23 A 1 ATOM 168 O O . GLN A 1 23 ? 12.794 -6.355 -7.804 1.00 95.59 23 A 1 ATOM 169 C CB . GLN A 1 23 ? 9.611 -6.730 -7.302 1.00 96.20 23 A 1 ATOM 170 C CG . GLN A 1 23 ? 8.678 -7.909 -7.080 1.00 90.91 23 A 1 ATOM 171 C CD . GLN A 1 23 ? 7.443 -7.822 -7.947 1.00 85.65 23 A 1 ATOM 172 O OE1 . GLN A 1 23 ? 7.500 -7.435 -9.110 1.00 79.51 23 A 1 ATOM 173 N NE2 . GLN A 1 23 ? 6.300 -8.188 -7.409 1.00 77.44 23 A 1 ATOM 174 N N . VAL A 1 24 ? 11.897 -4.626 -6.670 1.00 97.06 24 A 1 ATOM 175 C CA . VAL A 1 24 ? 12.851 -3.646 -7.192 1.00 96.77 24 A 1 ATOM 176 C C . VAL A 1 24 ? 14.170 -3.675 -6.430 1.00 96.49 24 A 1 ATOM 177 O O . VAL A 1 24 ? 15.247 -3.684 -7.038 1.00 93.99 24 A 1 ATOM 178 C CB . VAL A 1 24 ? 12.253 -2.225 -7.152 1.00 95.38 24 A 1 ATOM 179 C CG1 . VAL A 1 24 ? 13.256 -1.196 -7.657 1.00 88.36 24 A 1 ATOM 180 C CG2 . VAL A 1 24 ? 10.990 -2.152 -7.993 1.00 87.16 24 A 1 ATOM 181 N N . GLN A 1 25 ? 14.089 -3.659 -5.094 1.00 95.82 25 A 1 ATOM 182 C CA . GLN A 1 25 ? 15.285 -3.623 -4.244 1.00 94.38 25 A 1 ATOM 183 C C . GLN A 1 25 ? 15.581 -4.964 -3.580 1.00 92.08 25 A 1 ATOM 184 O O . GLN A 1 25 ? 16.688 -5.178 -3.088 1.00 86.59 25 A 1 ATOM 185 C CB . GLN A 1 25 ? 15.129 -2.547 -3.167 1.00 91.41 25 A 1 ATOM 186 C CG . GLN A 1 25 ? 15.204 -1.137 -3.720 1.00 82.89 25 A 1 ATOM 187 C CD . GLN A 1 25 ? 15.073 -0.097 -2.621 1.00 78.16 25 A 1 ATOM 188 O OE1 . GLN A 1 25 ? 13.977 0.211 -2.182 1.00 71.52 25 A 1 ATOM 189 N NE2 . GLN A 1 25 ? 16.173 0.444 -2.153 1.00 69.03 25 A 1 ATOM 190 N N . GLY A 1 26 ? 14.607 -5.838 -3.583 1.00 83.66 26 A 1 ATOM 191 C CA . GLY A 1 26 ? 14.777 -7.132 -2.934 1.00 78.61 26 A 1 ATOM 192 C C . GLY A 1 26 ? 16.024 -7.860 -3.411 1.00 71.38 26 A 1 ATOM 193 O O . GLY A 1 26 ? 16.273 -7.892 -4.616 1.00 65.45 26 A 1 ATOM 194 O OXT . GLY A 1 26 ? 16.756 -8.417 -2.581 1.00 68.98 26 A 1 #