# 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_397 # _entry.id 397 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "L-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" "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 SER 2 1 n ALA 3 1 n CYS 4 1 n ARG 5 1 n SER 6 1 n PHE 7 1 n ALA 8 1 n VAL 9 1 n ALA 10 1 n ILE 11 1 n CYS 12 1 n ILE 13 1 n LEU 14 1 n GLU 15 1 n ILE 16 1 n SER 17 1 n ILE 18 1 n LEU 19 1 n THR 20 1 n ALA 21 # _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 @ 2025-05-30 03:57:23)" _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 93.30 _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 77.19 1 1 A SER 2 2 87.50 1 2 A ALA 3 2 92.95 1 3 A CYS 4 2 92.77 1 4 A ARG 5 2 87.13 1 5 A SER 6 2 94.19 1 6 A PHE 7 2 93.92 1 7 A ALA 8 2 97.25 1 8 A VAL 9 2 96.20 1 9 A ALA 10 2 97.58 1 10 A ILE 11 2 95.64 1 11 A CYS 12 2 95.95 1 12 A ILE 13 2 96.18 1 13 A LEU 14 2 95.59 1 14 A GLU 15 2 92.75 1 15 A ILE 16 2 96.28 1 16 A SER 17 2 96.70 1 17 A ILE 18 2 97.01 1 18 A LEU 19 2 95.73 1 19 A THR 20 2 94.36 1 20 A ALA 21 2 91.79 1 21 # _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 SER . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n GLU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -17.453 1.974 -0.391 1.00 79.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.988 1.906 -0.228 1.00 82.70 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.625 1.591 1.228 1.00 86.28 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.571 2.481 2.071 1.00 83.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.334 3.228 -0.647 1.00 77.55 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.787 4.439 0.167 1.00 75.40 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.016 5.977 -0.354 1.00 70.94 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.138 6.468 -1.651 1.00 61.20 1 A 1 ATOM 9 N N . SER A 1 2 ? -15.409 0.344 1.529 1.00 86.84 2 A 1 ATOM 10 C CA . SER A 1 2 ? -15.075 -0.062 2.895 1.00 91.37 2 A 1 ATOM 11 C C . SER A 1 2 ? -13.814 -0.924 2.926 1.00 92.90 2 A 1 ATOM 12 O O . SER A 1 2 ? -12.796 -0.531 3.483 1.00 90.10 2 A 1 ATOM 13 C CB . SER A 1 2 ? -16.250 -0.806 3.526 1.00 87.80 2 A 1 ATOM 14 O OG . SER A 1 2 ? -17.403 0.014 3.561 1.00 76.00 2 A 1 ATOM 15 N N . ALA A 1 3 ? -13.883 -2.108 2.316 1.00 91.70 3 A 1 ATOM 16 C CA . ALA A 1 3 ? -12.753 -3.037 2.295 1.00 93.42 3 A 1 ATOM 17 C C . ALA A 1 3 ? -11.615 -2.536 1.408 1.00 94.82 3 A 1 ATOM 18 O O . ALA A 1 3 ? -10.442 -2.780 1.690 1.00 93.31 3 A 1 ATOM 19 C CB . ALA A 1 3 ? -13.224 -4.407 1.823 1.00 91.52 3 A 1 ATOM 20 N N . CYS A 1 4 ? -11.967 -1.824 0.338 1.00 93.18 4 A 1 ATOM 21 C CA . CYS A 1 4 ? -10.978 -1.296 -0.600 1.00 94.79 4 A 1 ATOM 22 C C . CYS A 1 4 ? -10.010 -0.334 0.087 1.00 95.75 4 A 1 ATOM 23 O O . CYS A 1 4 ? -8.814 -0.318 -0.201 1.00 94.04 4 A 1 ATOM 24 C CB . CYS A 1 4 ? -11.677 -0.592 -1.766 1.00 92.55 4 A 1 ATOM 25 S SG . CYS A 1 4 ? -10.524 -0.026 -3.037 1.00 86.31 4 A 1 ATOM 26 N N . ARG A 1 5 ? -10.530 0.469 1.013 1.00 94.26 5 A 1 ATOM 27 C CA . ARG A 1 5 ? -9.709 1.447 1.727 1.00 95.89 5 A 1 ATOM 28 C C . ARG A 1 5 ? -8.661 0.758 2.593 1.00 96.73 5 A 1 ATOM 29 O O . ARG A 1 5 ? -7.499 1.165 2.609 1.00 96.42 5 A 1 ATOM 30 C CB . ARG A 1 5 ? -10.588 2.359 2.586 1.00 95.28 5 A 1 ATOM 31 C CG . ARG A 1 5 ? -9.822 3.561 3.116 1.00 88.90 5 A 1 ATOM 32 C CD . ARG A 1 5 ? -10.718 4.465 3.940 1.00 86.62 5 A 1 ATOM 33 N NE . ARG A 1 5 ? -9.991 5.649 4.405 1.00 81.15 5 A 1 ATOM 34 C CZ . ARG A 1 5 ? -10.482 6.548 5.254 1.00 79.46 5 A 1 ATOM 35 N NH1 . ARG A 1 5 ? -11.694 6.407 5.755 1.00 72.12 5 A 1 ATOM 36 N NH2 . ARG A 1 5 ? -9.747 7.590 5.608 1.00 71.55 5 A 1 ATOM 37 N N . SER A 1 6 ? -9.059 -0.280 3.312 1.00 94.99 6 A 1 ATOM 38 C CA . SER A 1 6 ? -8.144 -1.027 4.176 1.00 95.96 6 A 1 ATOM 39 C C . SER A 1 6 ? -7.021 -1.656 3.358 1.00 96.72 6 A 1 ATOM 40 O O . SER A 1 6 ? -5.862 -1.667 3.774 1.00 96.01 6 A 1 ATOM 41 C CB . SER A 1 6 ? -8.898 -2.108 4.936 1.00 94.58 6 A 1 ATOM 42 O OG . SER A 1 6 ? -9.900 -1.528 5.751 1.00 86.86 6 A 1 ATOM 43 N N . PHE A 1 7 ? -7.372 -2.160 2.182 1.00 96.03 7 A 1 ATOM 44 C CA . PHE A 1 7 ? -6.392 -2.763 1.284 1.00 96.46 7 A 1 ATOM 45 C C . PHE A 1 7 ? -5.386 -1.722 0.810 1.00 97.14 7 A 1 ATOM 46 O O . PHE A 1 7 ? -4.182 -1.976 0.789 1.00 96.64 7 A 1 ATOM 47 C CB . PHE A 1 7 ? -7.106 -3.394 0.088 1.00 96.38 7 A 1 ATOM 48 C CG . PHE A 1 7 ? -6.159 -4.074 -0.862 1.00 94.60 7 A 1 ATOM 49 C CD1 . PHE A 1 7 ? -5.600 -5.302 -0.538 1.00 92.42 7 A 1 ATOM 50 C CD2 . PHE A 1 7 ? -5.834 -3.486 -2.074 1.00 91.95 7 A 1 ATOM 51 C CE1 . PHE A 1 7 ? -4.723 -5.932 -1.409 1.00 90.67 7 A 1 ATOM 52 C CE2 . PHE A 1 7 ? -4.952 -4.112 -2.952 1.00 90.42 7 A 1 ATOM 53 C CZ . PHE A 1 7 ? -4.399 -5.335 -2.615 1.00 90.40 7 A 1 ATOM 54 N N . ALA A 1 8 ? -5.880 -0.538 0.446 1.00 97.14 8 A 1 ATOM 55 C CA . ALA A 1 8 ? -5.019 0.546 -0.019 1.00 97.44 8 A 1 ATOM 56 C C . ALA A 1 8 ? -4.027 0.964 1.065 1.00 97.73 8 A 1 ATOM 57 O O . ALA A 1 8 ? -2.860 1.237 0.778 1.00 97.02 8 A 1 ATOM 58 C CB . ALA A 1 8 ? -5.869 1.739 -0.443 1.00 96.93 8 A 1 ATOM 59 N N . VAL A 1 9 ? -4.476 1.004 2.311 1.00 97.13 9 A 1 ATOM 60 C CA . VAL A 1 9 ? -3.616 1.358 3.440 1.00 97.34 9 A 1 ATOM 61 C C . VAL A 1 9 ? -2.511 0.318 3.606 1.00 97.62 9 A 1 ATOM 62 O O . VAL A 1 9 ? -1.349 0.661 3.834 1.00 97.03 9 A 1 ATOM 63 C CB . VAL A 1 9 ? -4.427 1.481 4.737 1.00 96.79 9 A 1 ATOM 64 C CG1 . VAL A 1 9 ? -3.507 1.698 5.936 1.00 93.70 9 A 1 ATOM 65 C CG2 . VAL A 1 9 ? -5.411 2.633 4.628 1.00 93.78 9 A 1 ATOM 66 N N . ALA A 1 10 ? -2.868 -0.952 3.489 1.00 97.50 10 A 1 ATOM 67 C CA . ALA A 1 10 ? -1.898 -2.038 3.621 1.00 97.71 10 A 1 ATOM 68 C C . ALA A 1 10 ? -0.815 -1.941 2.546 1.00 97.93 10 A 1 ATOM 69 O O . ALA A 1 10 ? 0.366 -2.154 2.824 1.00 97.29 10 A 1 ATOM 70 C CB . ALA A 1 10 ? -2.609 -3.383 3.530 1.00 97.49 10 A 1 ATOM 71 N N . ILE A 1 11 ? -1.213 -1.614 1.325 1.00 97.17 11 A 1 ATOM 72 C CA . ILE A 1 11 ? -0.273 -1.457 0.222 1.00 97.00 11 A 1 ATOM 73 C C . ILE A 1 11 ? 0.654 -0.276 0.477 1.00 97.24 11 A 1 ATOM 74 O O . ILE A 1 11 ? 1.856 -0.345 0.216 1.00 96.45 11 A 1 ATOM 75 C CB . ILE A 1 11 ? -1.026 -1.271 -1.110 1.00 96.72 11 A 1 ATOM 76 C CG1 . ILE A 1 11 ? -1.835 -2.531 -1.456 1.00 94.93 11 A 1 ATOM 77 C CG2 . ILE A 1 11 ? -0.052 -0.946 -2.243 1.00 94.53 11 A 1 ATOM 78 C CD1 . ILE A 1 11 ? -0.970 -3.772 -1.647 1.00 91.06 11 A 1 ATOM 79 N N . CYS A 1 12 ? 0.111 0.810 1.003 1.00 97.05 12 A 1 ATOM 80 C CA . CYS A 1 12 ? 0.896 2.000 1.312 1.00 97.15 12 A 1 ATOM 81 C C . CYS A 1 12 ? 1.988 1.677 2.332 1.00 97.59 12 A 1 ATOM 82 O O . CYS A 1 12 ? 3.140 2.089 2.183 1.00 96.69 12 A 1 ATOM 83 C CB . CYS A 1 12 ? -0.014 3.107 1.849 1.00 96.25 12 A 1 ATOM 84 S SG . CYS A 1 12 ? 0.872 4.654 2.111 1.00 90.97 12 A 1 ATOM 85 N N . ILE A 1 13 ? 1.629 0.931 3.374 1.00 96.94 13 A 1 ATOM 86 C CA . ILE A 1 13 ? 2.574 0.532 4.414 1.00 97.14 13 A 1 ATOM 87 C C . ILE A 1 13 ? 3.648 -0.377 3.822 1.00 97.64 13 A 1 ATOM 88 O O . ILE A 1 13 ? 4.828 -0.273 4.173 1.00 97.21 13 A 1 ATOM 89 C CB . ILE A 1 13 ? 1.846 -0.179 5.568 1.00 97.04 13 A 1 ATOM 90 C CG1 . ILE A 1 13 ? 0.896 0.797 6.274 1.00 95.89 13 A 1 ATOM 91 C CG2 . ILE A 1 13 ? 2.858 -0.742 6.572 1.00 95.54 13 A 1 ATOM 92 C CD1 . ILE A 1 13 ? -0.065 0.118 7.232 1.00 92.04 13 A 1 ATOM 93 N N . LEU A 1 14 ? 3.242 -1.258 2.928 1.00 97.32 14 A 1 ATOM 94 C CA . LEU A 1 14 ? 4.173 -2.172 2.275 1.00 97.26 14 A 1 ATOM 95 C C . LEU A 1 14 ? 5.221 -1.401 1.481 1.00 97.77 14 A 1 ATOM 96 O O . LEU A 1 14 ? 6.411 -1.711 1.551 1.00 97.26 14 A 1 ATOM 97 C CB . LEU A 1 14 ? 3.401 -3.119 1.348 1.00 96.92 14 A 1 ATOM 98 C CG . LEU A 1 14 ? 4.274 -4.146 0.631 1.00 94.46 14 A 1 ATOM 99 C CD1 . LEU A 1 14 ? 4.923 -5.095 1.628 1.00 91.65 14 A 1 ATOM 100 C CD2 . LEU A 1 14 ? 3.443 -4.928 -0.371 1.00 92.12 14 A 1 ATOM 101 N N . GLU A 1 15 ? 4.782 -0.390 0.738 1.00 97.51 15 A 1 ATOM 102 C CA . GLU A 1 15 ? 5.684 0.436 -0.054 1.00 97.63 15 A 1 ATOM 103 C C . GLU A 1 15 ? 6.699 1.145 0.836 1.00 97.96 15 A 1 ATOM 104 O O . GLU A 1 15 ? 7.894 1.190 0.530 1.00 97.54 15 A 1 ATOM 105 C CB . GLU A 1 15 ? 4.890 1.469 -0.861 1.00 97.35 15 A 1 ATOM 106 C CG . GLU A 1 15 ? 4.094 0.856 -1.998 1.00 90.81 15 A 1 ATOM 107 C CD . GLU A 1 15 ? 5.011 0.412 -3.125 1.00 87.52 15 A 1 ATOM 108 O OE1 . GLU A 1 15 ? 5.602 1.281 -3.784 1.00 83.66 15 A 1 ATOM 109 O OE2 . GLU A 1 15 ? 5.144 -0.801 -3.341 1.00 84.77 15 A 1 ATOM 110 N N . ILE A 1 16 ? 6.236 1.693 1.950 1.00 97.76 16 A 1 ATOM 111 C CA . ILE A 1 16 ? 7.102 2.385 2.897 1.00 97.55 16 A 1 ATOM 112 C C . ILE A 1 16 ? 8.102 1.406 3.509 1.00 97.79 16 A 1 ATOM 113 O O . ILE A 1 16 ? 9.276 1.737 3.693 1.00 97.28 16 A 1 ATOM 114 C CB . ILE A 1 16 ? 6.270 3.067 3.997 1.00 97.30 16 A 1 ATOM 115 C CG1 . ILE A 1 16 ? 5.397 4.176 3.394 1.00 95.59 16 A 1 ATOM 116 C CG2 . ILE A 1 16 ? 7.191 3.657 5.074 1.00 95.43 16 A 1 ATOM 117 C CD1 . ILE A 1 16 ? 4.342 4.702 4.347 1.00 91.51 16 A 1 ATOM 118 N N . SER A 1 17 ? 7.646 0.197 3.819 1.00 97.94 17 A 1 ATOM 119 C CA . SER A 1 17 ? 8.503 -0.828 4.407 1.00 97.93 17 A 1 ATOM 120 C C . SER A 1 17 ? 9.651 -1.185 3.466 1.00 98.05 17 A 1 ATOM 121 O O . SER A 1 17 ? 10.790 -1.355 3.901 1.00 97.33 17 A 1 ATOM 122 C CB . SER A 1 17 ? 7.691 -2.080 4.733 1.00 97.44 17 A 1 ATOM 123 O OG . SER A 1 17 ? 6.701 -1.797 5.705 1.00 91.49 17 A 1 ATOM 124 N N . ILE A 1 18 ? 9.362 -1.285 2.179 1.00 98.12 18 A 1 ATOM 125 C CA . ILE A 1 18 ? 10.373 -1.601 1.171 1.00 98.01 18 A 1 ATOM 126 C C . ILE A 1 18 ? 11.416 -0.491 1.099 1.00 98.06 18 A 1 ATOM 127 O O . ILE A 1 18 ? 12.618 -0.757 1.029 1.00 97.52 18 A 1 ATOM 128 C CB . ILE A 1 18 ? 9.722 -1.812 -0.209 1.00 97.75 18 A 1 ATOM 129 C CG1 . ILE A 1 18 ? 8.829 -3.059 -0.184 1.00 96.28 18 A 1 ATOM 130 C CG2 . ILE A 1 18 ? 10.794 -1.955 -1.291 1.00 95.82 18 A 1 ATOM 131 C CD1 . ILE A 1 18 ? 7.903 -3.160 -1.382 1.00 94.50 18 A 1 ATOM 132 N N . LEU A 1 19 ? 10.959 0.755 1.132 1.00 97.97 19 A 1 ATOM 133 C CA . LEU A 1 19 ? 11.859 1.905 1.077 1.00 97.66 19 A 1 ATOM 134 C C . LEU A 1 19 ? 12.694 2.007 2.349 1.00 97.80 19 A 1 ATOM 135 O O . LEU A 1 19 ? 13.845 2.444 2.313 1.00 97.28 19 A 1 ATOM 136 C CB . LEU A 1 19 ? 11.049 3.190 0.880 1.00 97.40 19 A 1 ATOM 137 C CG . LEU A 1 19 ? 10.381 3.305 -0.492 1.00 94.95 19 A 1 ATOM 138 C CD1 . LEU A 1 19 ? 9.398 4.468 -0.512 1.00 91.40 19 A 1 ATOM 139 C CD2 . LEU A 1 19 ? 11.430 3.498 -1.582 1.00 91.42 19 A 1 ATOM 140 N N . THR A 1 20 ? 12.111 1.623 3.479 1.00 96.60 20 A 1 ATOM 141 C CA . THR A 1 20 ? 12.791 1.680 4.769 1.00 96.39 20 A 1 ATOM 142 C C . THR A 1 20 ? 13.825 0.562 4.902 1.00 96.25 20 A 1 ATOM 143 O O . THR A 1 20 ? 14.862 0.743 5.542 1.00 94.91 20 A 1 ATOM 144 C CB . THR A 1 20 ? 11.776 1.580 5.917 1.00 95.19 20 A 1 ATOM 145 O OG1 . THR A 1 20 ? 10.781 2.602 5.783 1.00 90.90 20 A 1 ATOM 146 C CG2 . THR A 1 20 ? 12.461 1.757 7.264 1.00 90.28 20 A 1 ATOM 147 N N . ALA A 1 21 ? 13.535 -0.580 4.304 1.00 95.94 21 A 1 ATOM 148 C CA . ALA A 1 21 ? 14.420 -1.739 4.364 1.00 94.90 21 A 1 ATOM 149 C C . ALA A 1 21 ? 15.625 -1.539 3.446 1.00 92.93 21 A 1 ATOM 150 O O . ALA A 1 21 ? 16.761 -1.804 3.878 1.00 89.93 21 A 1 ATOM 151 C CB . ALA A 1 21 ? 13.656 -3.006 3.987 1.00 92.96 21 A 1 ATOM 152 O OXT . ALA A 1 21 ? 15.437 -1.150 2.307 1.00 84.10 21 A 1 #