# 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_spkb28487 # _entry.id spkb28487 # 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" "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 ASN 2 1 n VAL 3 1 n LYS 4 1 n SER 5 1 n ILE 6 1 n ALA 7 1 n LEU 8 1 n SER 9 1 n ALA 10 1 n VAL 11 1 n ILE 12 1 n ALA 13 1 n THR 14 1 n SER 15 1 n PHE 16 1 n LEU 17 1 n ALA 18 1 n ALA 19 1 n GLY 20 1 n ALA 21 1 n MET 22 1 n ALA 23 # _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 @ 2025-07-02 19:31:32)" _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 95.23 _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 85.62 1 1 A ASN 2 2 93.03 1 2 A VAL 3 2 96.34 1 3 A LYS 4 2 91.79 1 4 A SER 5 2 96.56 1 5 A ILE 6 2 96.23 1 6 A ALA 7 2 98.52 1 7 A LEU 8 2 96.26 1 8 A SER 9 2 97.32 1 9 A ALA 10 2 98.50 1 10 A VAL 11 2 98.23 1 11 A ILE 12 2 97.15 1 12 A ALA 13 2 98.40 1 13 A THR 14 2 97.36 1 14 A SER 15 2 97.39 1 15 A PHE 16 2 95.47 1 16 A LEU 17 2 95.09 1 17 A ALA 18 2 98.09 1 18 A ALA 19 2 98.12 1 19 A GLY 20 2 97.58 1 20 A ALA 21 2 96.89 1 21 A MET 22 2 90.04 1 22 A ALA 23 2 88.93 1 23 # _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 ASN . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLY . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n MET . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? -15.368 4.776 -1.047 1.00 89.35 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.857 3.420 -0.793 1.00 92.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.725 3.161 0.702 1.00 94.41 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.583 4.090 1.491 1.00 91.38 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.503 3.209 -1.468 1.00 86.64 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.542 4.357 -1.270 1.00 81.95 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.047 4.123 -2.233 1.00 78.96 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.744 5.786 -2.793 1.00 69.60 1 A 1 ATOM 9 N N . ASN A 1 2 ? -14.783 1.898 1.079 1.00 94.07 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -14.724 1.500 2.478 1.00 96.50 2 A 1 ATOM 11 C C . ASN A 1 2 ? -13.281 1.408 2.965 1.00 97.27 2 A 1 ATOM 12 O O . ASN A 1 2 ? -12.337 1.542 2.185 1.00 96.64 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -15.421 0.155 2.660 1.00 95.26 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -16.872 0.211 2.234 1.00 90.74 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -17.480 1.268 2.197 1.00 88.40 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -17.439 -0.936 1.909 1.00 85.37 2 A 1 ATOM 17 N N . VAL A 1 3 ? -13.131 1.156 4.268 1.00 96.96 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -11.806 1.009 4.876 1.00 97.72 3 A 1 ATOM 19 C C . VAL A 1 3 ? -11.055 -0.146 4.223 1.00 98.14 3 A 1 ATOM 20 O O . VAL A 1 3 ? -9.828 -0.116 4.080 1.00 97.55 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -11.930 0.763 6.387 1.00 96.86 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -10.561 0.559 7.010 1.00 93.43 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -12.648 1.926 7.051 1.00 93.70 3 A 1 ATOM 24 N N . LYS A 1 4 ? -11.815 -1.161 3.830 1.00 97.73 4 A 1 ATOM 25 C CA . LYS A 1 4 ? -11.240 -2.333 3.175 1.00 97.49 4 A 1 ATOM 26 C C . LYS A 1 4 ? -10.477 -1.935 1.918 1.00 97.70 4 A 1 ATOM 27 O O . LYS A 1 4 ? -9.349 -2.373 1.698 1.00 97.46 4 A 1 ATOM 28 C CB . LYS A 1 4 ? -12.354 -3.314 2.819 1.00 96.85 4 A 1 ATOM 29 C CG . LYS A 1 4 ? -11.829 -4.560 2.132 1.00 91.49 4 A 1 ATOM 30 C CD . LYS A 1 4 ? -12.972 -5.469 1.722 1.00 88.15 4 A 1 ATOM 31 C CE . LYS A 1 4 ? -12.457 -6.672 0.944 1.00 82.64 4 A 1 ATOM 32 N NZ . LYS A 1 4 ? -13.584 -7.526 0.478 1.00 76.61 4 A 1 ATOM 33 N N . SER A 1 5 ? -11.091 -1.101 1.101 1.00 97.94 5 A 1 ATOM 34 C CA . SER A 1 5 ? -10.475 -0.645 -0.137 1.00 98.06 5 A 1 ATOM 35 C C . SER A 1 5 ? -9.234 0.190 0.149 1.00 98.36 5 A 1 ATOM 36 O O . SER A 1 5 ? -8.208 0.045 -0.508 1.00 98.11 5 A 1 ATOM 37 C CB . SER A 1 5 ? -11.472 0.177 -0.949 1.00 97.53 5 A 1 ATOM 38 O OG . SER A 1 5 ? -12.604 -0.601 -1.272 1.00 89.33 5 A 1 ATOM 39 N N . ILE A 1 6 ? -9.343 1.061 1.145 1.00 97.66 6 A 1 ATOM 40 C CA . ILE A 1 6 ? -8.226 1.913 1.535 1.00 97.60 6 A 1 ATOM 41 C C . ILE A 1 6 ? -7.074 1.068 2.057 1.00 98.02 6 A 1 ATOM 42 O O . ILE A 1 6 ? -5.911 1.302 1.723 1.00 98.01 6 A 1 ATOM 43 C CB . ILE A 1 6 ? -8.663 2.924 2.601 1.00 97.58 6 A 1 ATOM 44 C CG1 . ILE A 1 6 ? -9.737 3.856 2.035 1.00 95.48 6 A 1 ATOM 45 C CG2 . ILE A 1 6 ? -7.463 3.734 3.082 1.00 94.63 6 A 1 ATOM 46 C CD1 . ILE A 1 6 ? -10.399 4.711 3.096 1.00 90.90 6 A 1 ATOM 47 N N . ALA A 1 7 ? -7.409 0.087 2.889 1.00 98.45 7 A 1 ATOM 48 C CA . ALA A 1 7 ? -6.404 -0.798 3.464 1.00 98.55 7 A 1 ATOM 49 C C . ALA A 1 7 ? -5.679 -1.575 2.372 1.00 98.66 7 A 1 ATOM 50 O O . ALA A 1 7 ? -4.456 -1.722 2.405 1.00 98.49 7 A 1 ATOM 51 C CB . ALA A 1 7 ? -7.063 -1.763 4.442 1.00 98.43 7 A 1 ATOM 52 N N . LEU A 1 8 ? -6.442 -2.064 1.409 1.00 98.29 8 A 1 ATOM 53 C CA . LEU A 1 8 ? -5.869 -2.813 0.296 1.00 98.27 8 A 1 ATOM 54 C C . LEU A 1 8 ? -4.899 -1.944 -0.492 1.00 98.49 8 A 1 ATOM 55 O O . LEU A 1 8 ? -3.794 -2.366 -0.832 1.00 98.37 8 A 1 ATOM 56 C CB . LEU A 1 8 ? -6.984 -3.304 -0.627 1.00 98.00 8 A 1 ATOM 57 C CG . LEU A 1 8 ? -6.490 -4.290 -1.680 1.00 93.83 8 A 1 ATOM 58 C CD1 . LEU A 1 8 ? -6.237 -5.647 -1.054 1.00 92.16 8 A 1 ATOM 59 C CD2 . LEU A 1 8 ? -7.500 -4.411 -2.812 1.00 92.69 8 A 1 ATOM 60 N N . SER A 1 9 ? -5.317 -0.719 -0.767 1.00 98.43 9 A 1 ATOM 61 C CA . SER A 1 9 ? -4.487 0.228 -1.502 1.00 98.44 9 A 1 ATOM 62 C C . SER A 1 9 ? -3.218 0.541 -0.724 1.00 98.61 9 A 1 ATOM 63 O O . SER A 1 9 ? -2.133 0.655 -1.300 1.00 98.41 9 A 1 ATOM 64 C CB . SER A 1 9 ? -5.259 1.516 -1.766 1.00 98.04 9 A 1 ATOM 65 O OG . SER A 1 9 ? -4.479 2.401 -2.538 1.00 91.99 9 A 1 ATOM 66 N N . ALA A 1 10 ? -3.355 0.673 0.595 1.00 98.48 10 A 1 ATOM 67 C CA . ALA A 1 10 ? -2.222 0.958 1.464 1.00 98.55 10 A 1 ATOM 68 C C . ALA A 1 10 ? -1.204 -0.173 1.415 1.00 98.66 10 A 1 ATOM 69 O O . ALA A 1 10 ? 0.004 0.067 1.376 1.00 98.43 10 A 1 ATOM 70 C CB . ALA A 1 10 ? -2.702 1.168 2.895 1.00 98.36 10 A 1 ATOM 71 N N . VAL A 1 11 ? -1.693 -1.407 1.415 1.00 98.65 11 A 1 ATOM 72 C CA . VAL A 1 11 ? -0.818 -2.578 1.352 1.00 98.65 11 A 1 ATOM 73 C C . VAL A 1 11 ? -0.037 -2.584 0.047 1.00 98.72 11 A 1 ATOM 74 O O . VAL A 1 11 ? 1.164 -2.854 0.023 1.00 98.51 11 A 1 ATOM 75 C CB . VAL A 1 11 ? -1.630 -3.873 1.479 1.00 98.42 11 A 1 ATOM 76 C CG1 . VAL A 1 11 ? -0.742 -5.091 1.256 1.00 97.36 11 A 1 ATOM 77 C CG2 . VAL A 1 11 ? -2.280 -3.951 2.851 1.00 97.30 11 A 1 ATOM 78 N N . ILE A 1 12 ? -0.729 -2.286 -1.033 1.00 98.49 12 A 1 ATOM 79 C CA . ILE A 1 12 ? -0.097 -2.254 -2.348 1.00 98.36 12 A 1 ATOM 80 C C . ILE A 1 12 ? 0.983 -1.183 -2.390 1.00 98.42 12 A 1 ATOM 81 O O . ILE A 1 12 ? 2.092 -1.422 -2.876 1.00 98.32 12 A 1 ATOM 82 C CB . ILE A 1 12 ? -1.139 -1.988 -3.441 1.00 98.13 12 A 1 ATOM 83 C CG1 . ILE A 1 12 ? -2.138 -3.146 -3.510 1.00 96.69 12 A 1 ATOM 84 C CG2 . ILE A 1 12 ? -0.450 -1.806 -4.796 1.00 96.24 12 A 1 ATOM 85 C CD1 . ILE A 1 12 ? -3.359 -2.820 -4.346 1.00 92.56 12 A 1 ATOM 86 N N . ALA A 1 13 ? 0.656 -0.007 -1.877 1.00 98.53 13 A 1 ATOM 87 C CA . ALA A 1 13 ? 1.600 1.102 -1.857 1.00 98.49 13 A 1 ATOM 88 C C . ALA A 1 13 ? 2.820 0.761 -1.008 1.00 98.55 13 A 1 ATOM 89 O O . ALA A 1 13 ? 3.957 1.027 -1.400 1.00 98.22 13 A 1 ATOM 90 C CB . ALA A 1 13 ? 0.922 2.355 -1.320 1.00 98.23 13 A 1 ATOM 91 N N . THR A 1 14 ? 2.574 0.165 0.154 1.00 98.56 14 A 1 ATOM 92 C CA . THR A 1 14 ? 3.652 -0.217 1.062 1.00 98.46 14 A 1 ATOM 93 C C . THR A 1 14 ? 4.537 -1.276 0.420 1.00 98.54 14 A 1 ATOM 94 O O . THR A 1 14 ? 5.764 -1.228 0.532 1.00 98.14 14 A 1 ATOM 95 C CB . THR A 1 14 ? 3.090 -0.761 2.376 1.00 98.04 14 A 1 ATOM 96 O OG1 . THR A 1 14 ? 2.271 0.229 2.993 1.00 95.17 14 A 1 ATOM 97 C CG2 . THR A 1 14 ? 4.216 -1.131 3.331 1.00 94.59 14 A 1 ATOM 98 N N . SER A 1 15 ? 3.908 -2.237 -0.248 1.00 98.33 15 A 1 ATOM 99 C CA . SER A 1 15 ? 4.636 -3.307 -0.920 1.00 98.23 15 A 1 ATOM 100 C C . SER A 1 15 ? 5.532 -2.741 -2.010 1.00 98.35 15 A 1 ATOM 101 O O . SER A 1 15 ? 6.686 -3.144 -2.157 1.00 97.87 15 A 1 ATOM 102 C CB . SER A 1 15 ? 3.663 -4.310 -1.528 1.00 97.83 15 A 1 ATOM 103 O OG . SER A 1 15 ? 4.367 -5.367 -2.128 1.00 93.76 15 A 1 ATOM 104 N N . PHE A 1 16 ? 4.995 -1.801 -2.771 1.00 97.97 16 A 1 ATOM 105 C CA . PHE A 1 16 ? 5.747 -1.163 -3.845 1.00 97.84 16 A 1 ATOM 106 C C . PHE A 1 16 ? 6.946 -0.410 -3.289 1.00 98.11 16 A 1 ATOM 107 O O . PHE A 1 16 ? 8.064 -0.530 -3.799 1.00 97.69 16 A 1 ATOM 108 C CB . PHE A 1 16 ? 4.833 -0.204 -4.607 1.00 97.38 16 A 1 ATOM 109 C CG . PHE A 1 16 ? 5.530 0.485 -5.747 1.00 95.85 16 A 1 ATOM 110 C CD1 . PHE A 1 16 ? 5.825 -0.204 -6.910 1.00 93.68 16 A 1 ATOM 111 C CD2 . PHE A 1 16 ? 5.883 1.821 -5.653 1.00 94.11 16 A 1 ATOM 112 C CE1 . PHE A 1 16 ? 6.466 0.430 -7.964 1.00 92.76 16 A 1 ATOM 113 C CE2 . PHE A 1 16 ? 6.529 2.462 -6.706 1.00 92.31 16 A 1 ATOM 114 C CZ . PHE A 1 16 ? 6.819 1.762 -7.862 1.00 92.48 16 A 1 ATOM 115 N N . LEU A 1 17 ? 6.706 0.358 -2.237 1.00 97.99 17 A 1 ATOM 116 C CA . LEU A 1 17 ? 7.767 1.136 -1.605 1.00 97.78 17 A 1 ATOM 117 C C . LEU A 1 17 ? 8.811 0.223 -0.982 1.00 98.14 17 A 1 ATOM 118 O O . LEU A 1 17 ? 10.015 0.447 -1.128 1.00 97.95 17 A 1 ATOM 119 C CB . LEU A 1 17 ? 7.180 2.051 -0.533 1.00 97.24 17 A 1 ATOM 120 C CG . LEU A 1 17 ? 8.190 3.032 0.057 1.00 91.52 17 A 1 ATOM 121 C CD1 . LEU A 1 17 ? 8.596 4.068 -0.977 1.00 89.81 17 A 1 ATOM 122 C CD2 . LEU A 1 17 ? 7.622 3.714 1.287 1.00 90.30 17 A 1 ATOM 123 N N . ALA A 1 18 ? 8.345 -0.810 -0.284 1.00 98.19 18 A 1 ATOM 124 C CA . ALA A 1 18 ? 9.238 -1.760 0.369 1.00 98.16 18 A 1 ATOM 125 C C . ALA A 1 18 ? 10.088 -2.499 -0.652 1.00 98.37 18 A 1 ATOM 126 O O . ALA A 1 18 ? 11.283 -2.712 -0.440 1.00 98.00 18 A 1 ATOM 127 C CB . ALA A 1 18 ? 8.429 -2.754 1.192 1.00 97.72 18 A 1 ATOM 128 N N . ALA A 1 19 ? 9.474 -2.882 -1.761 1.00 98.32 19 A 1 ATOM 129 C CA . ALA A 1 19 ? 10.183 -3.590 -2.821 1.00 98.25 19 A 1 ATOM 130 C C . ALA A 1 19 ? 11.289 -2.723 -3.401 1.00 98.41 19 A 1 ATOM 131 O O . ALA A 1 19 ? 12.395 -3.197 -3.653 1.00 97.90 19 A 1 ATOM 132 C CB . ALA A 1 19 ? 9.206 -3.998 -3.916 1.00 97.71 19 A 1 ATOM 133 N N . GLY A 1 20 ? 10.991 -1.449 -3.607 1.00 97.71 20 A 1 ATOM 134 C CA . GLY A 1 20 ? 11.974 -0.520 -4.142 1.00 97.46 20 A 1 ATOM 135 C C . GLY A 1 20 ? 13.096 -0.258 -3.162 1.00 97.79 20 A 1 ATOM 136 O O . GLY A 1 20 ? 14.264 -0.167 -3.544 1.00 97.37 20 A 1 ATOM 137 N N . ALA A 1 21 ? 12.749 -0.138 -1.884 1.00 97.08 21 A 1 ATOM 138 C CA . ALA A 1 21 ? 13.730 0.105 -0.832 1.00 97.10 21 A 1 ATOM 139 C C . ALA A 1 21 ? 14.621 -1.111 -0.619 1.00 97.40 21 A 1 ATOM 140 O O . ALA A 1 21 ? 15.816 -0.982 -0.351 1.00 96.55 21 A 1 ATOM 141 C CB . ALA A 1 21 ? 13.023 0.473 0.464 1.00 96.32 21 A 1 ATOM 142 N N . MET A 1 22 ? 14.031 -2.290 -0.723 1.00 96.73 22 A 1 ATOM 143 C CA . MET A 1 22 ? 14.759 -3.542 -0.544 1.00 96.32 22 A 1 ATOM 144 C C . MET A 1 22 ? 15.176 -4.121 -1.891 1.00 96.41 22 A 1 ATOM 145 O O . MET A 1 22 ? 14.833 -5.250 -2.234 1.00 94.90 22 A 1 ATOM 146 C CB . MET A 1 22 ? 13.894 -4.547 0.212 1.00 94.38 22 A 1 ATOM 147 C CG . MET A 1 22 ? 13.581 -4.096 1.618 1.00 88.42 22 A 1 ATOM 148 S SD . MET A 1 22 ? 12.556 -5.285 2.493 1.00 80.91 22 A 1 ATOM 149 C CE . MET A 1 22 ? 12.479 -4.487 4.091 1.00 72.28 22 A 1 ATOM 150 N N . ALA A 1 23 ? 15.941 -3.326 -2.647 1.00 92.97 23 A 1 ATOM 151 C CA . ALA A 1 23 ? 16.408 -3.757 -3.958 1.00 91.95 23 A 1 ATOM 152 C C . ALA A 1 23 ? 17.475 -4.835 -3.802 1.00 90.71 23 A 1 ATOM 153 O O . ALA A 1 23 ? 17.328 -5.923 -4.385 1.00 87.40 23 A 1 ATOM 154 C CB . ALA A 1 23 ? 16.958 -2.567 -4.738 1.00 88.51 23 A 1 ATOM 155 O OXT . ALA A 1 23 ? 18.459 -4.583 -3.107 1.00 82.04 23 A 1 #