# 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_spkb29035 # _entry.id spkb29035 # 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" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "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 ILE 2 1 n SER 3 1 n LYS 4 1 n ASN 5 1 n THR 6 1 n SER 7 1 n PHE 8 1 n CYS 9 1 n GLY 10 1 n PHE 11 1 n LEU 12 1 n ILE 13 1 n LEU 14 1 n VAL 15 1 n LEU 16 1 n ALA 17 1 n THR 18 1 n CYS 19 1 n MET 20 1 n SER 21 1 n ALA 22 # _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 @ 2025-07-12 06:30:53)" _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 89.49 _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 79.84 1 1 A ILE 2 2 81.97 1 2 A SER 3 2 84.78 1 3 A LYS 4 2 82.23 1 4 A ASN 5 2 84.67 1 5 A THR 6 2 88.53 1 6 A SER 7 2 90.55 1 7 A PHE 8 2 90.46 1 8 A CYS 9 2 91.85 1 9 A GLY 10 2 93.46 1 10 A PHE 11 2 92.13 1 11 A LEU 12 2 91.43 1 12 A ILE 13 2 93.30 1 13 A LEU 14 2 92.69 1 14 A VAL 15 2 95.35 1 15 A LEU 16 2 92.68 1 16 A ALA 17 2 96.57 1 17 A THR 18 2 93.78 1 18 A CYS 19 2 93.63 1 19 A MET 20 2 88.49 1 20 A SER 21 2 90.81 1 21 A ALA 22 2 84.79 1 22 # _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 ILE . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n CYS . 19 A 19 A 20 1 n MET . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ALA . 22 A 22 # _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 ? 1.915 -16.281 3.701 1.00 85.38 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.841 -14.928 4.299 1.00 88.27 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.690 -13.812 3.257 1.00 89.07 1 A 1 ATOM 4 O O . MET A 1 1 ? 1.687 -12.648 3.621 1.00 83.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? 3.056 -14.671 5.206 1.00 82.38 1 A 1 ATOM 6 C CG . MET A 1 1 ? 2.849 -15.247 6.608 1.00 75.30 1 A 1 ATOM 7 S SD . MET A 1 1 ? 4.282 -14.990 7.670 1.00 69.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.578 -15.358 9.273 1.00 65.07 1 A 1 ATOM 9 N N . ILE A 1 2 ? 1.551 -14.161 1.997 1.00 86.12 2 A 1 ATOM 10 C CA . ILE A 1 2 ? 1.432 -13.196 0.894 1.00 87.01 2 A 1 ATOM 11 C C . ILE A 1 2 ? 0.113 -12.418 0.978 1.00 88.13 2 A 1 ATOM 12 O O . ILE A 1 2 ? 0.101 -11.215 0.731 1.00 86.48 2 A 1 ATOM 13 C CB . ILE A 1 2 ? 1.613 -13.935 -0.442 1.00 84.68 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 3.024 -14.571 -0.515 1.00 78.05 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? 1.396 -12.984 -1.629 1.00 75.28 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 3.196 -15.568 -1.664 1.00 69.99 2 A 1 ATOM 17 N N . SER A 1 3 ? -0.983 -13.054 1.405 1.00 84.86 3 A 1 ATOM 18 C CA . SER A 1 3 ? -2.306 -12.421 1.484 1.00 88.34 3 A 1 ATOM 19 C C . SER A 1 3 ? -2.342 -11.197 2.405 1.00 89.50 3 A 1 ATOM 20 O O . SER A 1 3 ? -2.901 -10.168 2.025 1.00 87.94 3 A 1 ATOM 21 C CB . SER A 1 3 ? -3.347 -13.446 1.931 1.00 85.33 3 A 1 ATOM 22 O OG . SER A 1 3 ? -2.982 -14.042 3.160 1.00 72.74 3 A 1 ATOM 23 N N . LYS A 1 4 ? -1.692 -11.261 3.577 1.00 90.37 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -1.578 -10.096 4.468 1.00 91.11 4 A 1 ATOM 25 C C . LYS A 1 4 ? -0.724 -8.992 3.852 1.00 91.41 4 A 1 ATOM 26 O O . LYS A 1 4 ? -1.068 -7.819 3.963 1.00 90.02 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -1.022 -10.488 5.844 1.00 89.09 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -2.138 -10.839 6.833 1.00 80.68 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -1.674 -10.646 8.274 1.00 76.52 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -2.835 -10.826 9.249 1.00 68.90 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -2.499 -10.345 10.616 1.00 62.01 4 A 1 ATOM 32 N N . ASN A 1 5 ? 0.359 -9.359 3.185 1.00 88.90 5 A 1 ATOM 33 C CA . ASN A 1 5 ? 1.246 -8.409 2.522 1.00 90.56 5 A 1 ATOM 34 C C . ASN A 1 5 ? 0.546 -7.738 1.338 1.00 91.34 5 A 1 ATOM 35 O O . ASN A 1 5 ? 0.711 -6.546 1.119 1.00 90.55 5 A 1 ATOM 36 C CB . ASN A 1 5 ? 2.532 -9.131 2.099 1.00 88.65 5 A 1 ATOM 37 C CG . ASN A 1 5 ? 3.754 -8.345 2.510 1.00 80.53 5 A 1 ATOM 38 O OD1 . ASN A 1 5 ? 4.165 -8.371 3.645 1.00 73.08 5 A 1 ATOM 39 N ND2 . ASN A 1 5 ? 4.359 -7.619 1.597 1.00 73.75 5 A 1 ATOM 40 N N . THR A 1 6 ? -0.285 -8.474 0.611 1.00 92.36 6 A 1 ATOM 41 C CA . THR A 1 6 ? -1.094 -7.947 -0.494 1.00 92.35 6 A 1 ATOM 42 C C . THR A 1 6 ? -2.158 -6.975 0.008 1.00 92.90 6 A 1 ATOM 43 O O . THR A 1 6 ? -2.311 -5.908 -0.577 1.00 91.09 6 A 1 ATOM 44 C CB . THR A 1 6 ? -1.750 -9.083 -1.281 1.00 91.38 6 A 1 ATOM 45 O OG1 . THR A 1 6 ? -0.778 -10.035 -1.654 1.00 81.40 6 A 1 ATOM 46 C CG2 . THR A 1 6 ? -2.396 -8.594 -2.571 1.00 78.26 6 A 1 ATOM 47 N N . SER A 1 7 ? -2.840 -7.273 1.107 1.00 92.48 7 A 1 ATOM 48 C CA . SER A 1 7 ? -3.797 -6.343 1.717 1.00 92.76 7 A 1 ATOM 49 C C . SER A 1 7 ? -3.111 -5.074 2.225 1.00 93.78 7 A 1 ATOM 50 O O . SER A 1 7 ? -3.624 -3.976 2.017 1.00 92.90 7 A 1 ATOM 51 C CB . SER A 1 7 ? -4.532 -7.000 2.879 1.00 90.85 7 A 1 ATOM 52 O OG . SER A 1 7 ? -5.354 -8.048 2.408 1.00 80.53 7 A 1 ATOM 53 N N . PHE A 1 8 ? -1.928 -5.217 2.835 1.00 90.63 8 A 1 ATOM 54 C CA . PHE A 1 8 ? -1.133 -4.078 3.287 1.00 91.65 8 A 1 ATOM 55 C C . PHE A 1 8 ? -0.646 -3.231 2.107 1.00 93.42 8 A 1 ATOM 56 O O . PHE A 1 8 ? -0.757 -2.008 2.143 1.00 93.74 8 A 1 ATOM 57 C CB . PHE A 1 8 ? 0.038 -4.598 4.118 1.00 92.27 8 A 1 ATOM 58 C CG . PHE A 1 8 ? 0.877 -3.488 4.709 1.00 91.65 8 A 1 ATOM 59 C CD1 . PHE A 1 8 ? 2.118 -3.158 4.147 1.00 88.70 8 A 1 ATOM 60 C CD2 . PHE A 1 8 ? 0.398 -2.774 5.815 1.00 89.31 8 A 1 ATOM 61 C CE1 . PHE A 1 8 ? 2.888 -2.122 4.693 1.00 87.76 8 A 1 ATOM 62 C CE2 . PHE A 1 8 ? 1.164 -1.731 6.364 1.00 87.89 8 A 1 ATOM 63 C CZ . PHE A 1 8 ? 2.408 -1.410 5.803 1.00 88.05 8 A 1 ATOM 64 N N . CYS A 1 9 ? -0.183 -3.867 1.033 1.00 92.58 9 A 1 ATOM 65 C CA . CYS A 1 9 ? 0.224 -3.171 -0.184 1.00 93.24 9 A 1 ATOM 66 C C . CYS A 1 9 ? -0.961 -2.436 -0.830 1.00 94.59 9 A 1 ATOM 67 O O . CYS A 1 9 ? -0.826 -1.280 -1.211 1.00 93.63 9 A 1 ATOM 68 C CB . CYS A 1 9 ? 0.861 -4.184 -1.139 1.00 91.71 9 A 1 ATOM 69 S SG . CYS A 1 9 ? 1.663 -3.313 -2.505 1.00 85.38 9 A 1 ATOM 70 N N . GLY A 1 10 ? -2.127 -3.066 -0.887 1.00 92.75 10 A 1 ATOM 71 C CA . GLY A 1 10 ? -3.354 -2.425 -1.369 1.00 92.77 10 A 1 ATOM 72 C C . GLY A 1 10 ? -3.732 -1.193 -0.543 1.00 94.59 10 A 1 ATOM 73 O O . GLY A 1 10 ? -4.074 -0.157 -1.107 1.00 93.74 10 A 1 ATOM 74 N N . PHE A 1 11 ? -3.600 -1.279 0.786 1.00 92.70 11 A 1 ATOM 75 C CA . PHE A 1 11 ? -3.817 -0.136 1.671 1.00 93.56 11 A 1 ATOM 76 C C . PHE A 1 11 ? -2.794 0.975 1.421 1.00 95.14 11 A 1 ATOM 77 O O . PHE A 1 11 ? -3.176 2.142 1.334 1.00 94.88 11 A 1 ATOM 78 C CB . PHE A 1 11 ? -3.785 -0.604 3.124 1.00 93.57 11 A 1 ATOM 79 C CG . PHE A 1 11 ? -4.216 0.475 4.094 1.00 92.70 11 A 1 ATOM 80 C CD1 . PHE A 1 11 ? -3.259 1.260 4.755 1.00 90.29 11 A 1 ATOM 81 C CD2 . PHE A 1 11 ? -5.583 0.710 4.305 1.00 90.87 11 A 1 ATOM 82 C CE1 . PHE A 1 11 ? -3.664 2.283 5.629 1.00 89.75 11 A 1 ATOM 83 C CE2 . PHE A 1 11 ? -5.989 1.734 5.180 1.00 89.57 11 A 1 ATOM 84 C CZ . PHE A 1 11 ? -5.031 2.515 5.837 1.00 90.37 11 A 1 ATOM 85 N N . LEU A 1 12 ? -1.518 0.627 1.232 1.00 93.97 12 A 1 ATOM 86 C CA . LEU A 1 12 ? -0.481 1.606 0.901 1.00 94.20 12 A 1 ATOM 87 C C . LEU A 1 12 ? -0.769 2.316 -0.421 1.00 95.30 12 A 1 ATOM 88 O O . LEU A 1 12 ? -0.595 3.527 -0.491 1.00 95.74 12 A 1 ATOM 89 C CB . LEU A 1 12 ? 0.893 0.933 0.829 1.00 93.88 12 A 1 ATOM 90 C CG . LEU A 1 12 ? 1.528 0.595 2.182 1.00 88.09 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? 2.905 -0.015 1.923 1.00 84.89 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? 1.707 1.816 3.082 1.00 85.37 12 A 1 ATOM 93 N N . ILE A 1 13 ? -1.239 1.601 -1.439 1.00 95.12 13 A 1 ATOM 94 C CA . ILE A 1 13 ? -1.625 2.204 -2.723 1.00 95.27 13 A 1 ATOM 95 C C . ILE A 1 13 ? -2.766 3.208 -2.528 1.00 96.18 13 A 1 ATOM 96 O O . ILE A 1 13 ? -2.745 4.294 -3.104 1.00 95.63 13 A 1 ATOM 97 C CB . ILE A 1 13 ? -2.009 1.103 -3.730 1.00 94.70 13 A 1 ATOM 98 C CG1 . ILE A 1 13 ? -0.790 0.225 -4.128 1.00 92.45 13 A 1 ATOM 99 C CG2 . ILE A 1 13 ? -2.652 1.691 -4.997 1.00 91.36 13 A 1 ATOM 100 C CD1 . ILE A 1 13 ? 0.316 0.942 -4.906 1.00 85.69 13 A 1 ATOM 101 N N . LEU A 1 14 ? -3.737 2.875 -1.679 1.00 95.84 14 A 1 ATOM 102 C CA . LEU A 1 14 ? -4.859 3.756 -1.367 1.00 95.85 14 A 1 ATOM 103 C C . LEU A 1 14 ? -4.391 5.022 -0.639 1.00 96.67 14 A 1 ATOM 104 O O . LEU A 1 14 ? -4.802 6.131 -0.992 1.00 96.40 14 A 1 ATOM 105 C CB . LEU A 1 14 ? -5.882 2.935 -0.562 1.00 95.29 14 A 1 ATOM 106 C CG . LEU A 1 14 ? -7.337 3.286 -0.903 1.00 88.67 14 A 1 ATOM 107 C CD1 . LEU A 1 14 ? -8.219 2.046 -0.744 1.00 86.00 14 A 1 ATOM 108 C CD2 . LEU A 1 14 ? -7.880 4.379 -0.006 1.00 86.84 14 A 1 ATOM 109 N N . VAL A 1 15 ? -3.477 4.872 0.318 1.00 96.30 15 A 1 ATOM 110 C CA . VAL A 1 15 ? -2.843 6.003 1.015 1.00 96.41 15 A 1 ATOM 111 C C . VAL A 1 15 ? -2.024 6.852 0.043 1.00 97.00 15 A 1 ATOM 112 O O . VAL A 1 15 ? -2.115 8.078 0.079 1.00 96.58 15 A 1 ATOM 113 C CB . VAL A 1 15 ? -1.972 5.497 2.179 1.00 95.48 15 A 1 ATOM 114 C CG1 . VAL A 1 15 ? -1.169 6.617 2.843 1.00 92.95 15 A 1 ATOM 115 C CG2 . VAL A 1 15 ? -2.848 4.869 3.272 1.00 92.75 15 A 1 ATOM 116 N N . LEU A 1 16 ? -1.282 6.226 -0.852 1.00 96.36 16 A 1 ATOM 117 C CA . LEU A 1 16 ? -0.458 6.909 -1.851 1.00 96.17 16 A 1 ATOM 118 C C . LEU A 1 16 ? -1.325 7.708 -2.828 1.00 96.53 16 A 1 ATOM 119 O O . LEU A 1 16 ? -1.027 8.871 -3.104 1.00 96.33 16 A 1 ATOM 120 C CB . LEU A 1 16 ? 0.419 5.853 -2.550 1.00 95.61 16 A 1 ATOM 121 C CG . LEU A 1 16 ? 1.850 6.339 -2.843 1.00 89.40 16 A 1 ATOM 122 C CD1 . LEU A 1 16 ? 2.802 5.141 -2.897 1.00 84.99 16 A 1 ATOM 123 C CD2 . LEU A 1 16 ? 1.943 7.086 -4.155 1.00 86.05 16 A 1 ATOM 124 N N . ALA A 1 17 ? -2.442 7.129 -3.281 1.00 97.04 17 A 1 ATOM 125 C CA . ALA A 1 17 ? -3.413 7.830 -4.120 1.00 96.81 17 A 1 ATOM 126 C C . ALA A 1 17 ? -4.025 9.039 -3.395 1.00 97.08 17 A 1 ATOM 127 O O . ALA A 1 17 ? -4.151 10.114 -3.980 1.00 95.97 17 A 1 ATOM 128 C CB . ALA A 1 17 ? -4.494 6.827 -4.547 1.00 95.95 17 A 1 ATOM 129 N N . THR A 1 18 ? -4.337 8.891 -2.107 1.00 96.57 18 A 1 ATOM 130 C CA . THR A 1 18 ? -4.831 9.999 -1.279 1.00 96.15 18 A 1 ATOM 131 C C . THR A 1 18 ? -3.764 11.083 -1.115 1.00 96.38 18 A 1 ATOM 132 O O . THR A 1 18 ? -4.079 12.261 -1.247 1.00 94.92 18 A 1 ATOM 133 C CB . THR A 1 18 ? -5.286 9.487 0.092 1.00 95.25 18 A 1 ATOM 134 O OG1 . THR A 1 18 ? -6.224 8.440 -0.053 1.00 89.18 18 A 1 ATOM 135 C CG2 . THR A 1 18 ? -5.981 10.573 0.909 1.00 87.98 18 A 1 ATOM 136 N N . CYS A 1 19 ? -2.517 10.696 -0.891 1.00 95.44 19 A 1 ATOM 137 C CA . CYS A 1 19 ? -1.394 11.627 -0.762 1.00 95.41 19 A 1 ATOM 138 C C . CYS A 1 19 ? -1.147 12.422 -2.051 1.00 95.90 19 A 1 ATOM 139 O O . CYS A 1 19 ? -0.858 13.612 -1.986 1.00 94.81 19 A 1 ATOM 140 C CB . CYS A 1 19 ? -0.148 10.833 -0.350 1.00 93.89 19 A 1 ATOM 141 S SG . CYS A 1 19 ? 1.200 11.955 0.088 1.00 86.31 19 A 1 ATOM 142 N N . MET A 1 20 ? -1.297 11.787 -3.215 1.00 94.77 20 A 1 ATOM 143 C CA . MET A 1 20 ? -1.185 12.487 -4.508 1.00 94.08 20 A 1 ATOM 144 C C . MET A 1 20 ? -2.374 13.413 -4.794 1.00 94.46 20 A 1 ATOM 145 O O . MET A 1 20 ? -2.251 14.320 -5.607 1.00 93.44 20 A 1 ATOM 146 C CB . MET A 1 20 ? -1.033 11.477 -5.651 1.00 92.44 20 A 1 ATOM 147 C CG . MET A 1 20 ? 0.359 10.848 -5.664 1.00 88.80 20 A 1 ATOM 148 S SD . MET A 1 20 ? 0.814 10.199 -7.287 1.00 79.20 20 A 1 ATOM 149 C CE . MET A 1 20 ? 2.506 9.701 -6.958 1.00 70.72 20 A 1 ATOM 150 N N . SER A 1 21 ? -3.515 13.179 -4.148 1.00 94.71 21 A 1 ATOM 151 C CA . SER A 1 21 ? -4.720 13.998 -4.317 1.00 94.35 21 A 1 ATOM 152 C C . SER A 1 21 ? -4.805 15.154 -3.320 1.00 93.84 21 A 1 ATOM 153 O O . SER A 1 21 ? -5.686 16.002 -3.466 1.00 90.60 21 A 1 ATOM 154 C CB . SER A 1 21 ? -5.973 13.124 -4.200 1.00 91.92 21 A 1 ATOM 155 O OG . SER A 1 21 ? -5.967 12.091 -5.170 1.00 79.44 21 A 1 ATOM 156 N N . ALA A 1 22 ? -3.920 15.168 -2.333 1.00 92.63 22 A 1 ATOM 157 C CA . ALA A 1 22 ? -3.858 16.207 -1.305 1.00 90.28 22 A 1 ATOM 158 C C . ALA A 1 22 ? -2.951 17.363 -1.737 1.00 87.00 22 A 1 ATOM 159 O O . ALA A 1 22 ? -3.316 18.525 -1.466 1.00 80.54 22 A 1 ATOM 160 C CB . ALA A 1 22 ? -3.378 15.575 0.009 1.00 84.78 22 A 1 ATOM 161 O OXT . ALA A 1 22 ? -1.894 17.082 -2.324 1.00 73.50 22 A 1 #