# 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_226 # _entry.id 226 # 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" "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 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" "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" "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 MET 2 1 n PRO 3 1 n LEU 4 1 n VAL 5 1 n PRO 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n VAL 10 1 n SER 11 1 n ILE 12 1 n VAL 13 1 n PHE 14 1 n PRO 15 1 n GLY 16 1 n ILE 17 1 n GLN 18 1 n ALA 19 # _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 @ 2025-05-29 18:56:07)" _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 89.40 _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 78.71 1 1 A MET 2 2 82.77 1 2 A PRO 3 2 89.95 1 3 A LEU 4 2 88.09 1 4 A VAL 5 2 91.49 1 5 A PRO 6 2 94.02 1 6 A LEU 7 2 90.28 1 7 A LEU 8 2 91.28 1 8 A LEU 9 2 92.36 1 9 A VAL 10 2 93.43 1 10 A SER 11 2 93.53 1 11 A ILE 12 2 93.54 1 12 A VAL 13 2 95.05 1 13 A PHE 14 2 91.77 1 14 A PRO 15 2 94.78 1 15 A GLY 16 2 94.02 1 16 A ILE 17 2 86.27 1 17 A GLN 18 2 80.53 1 18 A ALA 19 2 80.93 1 19 # _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 MET . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n GLN . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? 5.739 2.981 16.505 1.00 85.23 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.419 3.561 15.192 1.00 86.21 1 A 1 ATOM 3 C C . MET A 1 1 ? 5.139 2.446 14.186 1.00 86.43 1 A 1 ATOM 4 O O . MET A 1 1 ? 6.042 1.983 13.492 1.00 83.20 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.575 4.428 14.696 1.00 80.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.813 5.644 15.573 1.00 74.35 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.223 6.619 15.013 1.00 70.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? 8.173 7.953 16.196 1.00 63.50 1 A 1 ATOM 9 N N . MET A 1 2 ? 3.869 2.007 14.113 1.00 88.99 2 A 1 ATOM 10 C CA . MET A 1 2 ? 3.471 0.939 13.206 1.00 89.60 2 A 1 ATOM 11 C C . MET A 1 2 ? 2.526 1.488 12.131 1.00 91.13 2 A 1 ATOM 12 O O . MET A 1 2 ? 1.315 1.561 12.359 1.00 89.43 2 A 1 ATOM 13 C CB . MET A 1 2 ? 2.797 -0.189 13.986 1.00 84.42 2 A 1 ATOM 14 C CG . MET A 1 2 ? 2.831 -1.520 13.248 1.00 79.06 2 A 1 ATOM 15 S SD . MET A 1 2 ? 4.460 -2.269 13.292 1.00 74.01 2 A 1 ATOM 16 C CE . MET A 1 2 ? 4.154 -3.784 12.376 1.00 65.52 2 A 1 ATOM 17 N N . PRO A 1 3 ? 3.059 1.879 10.964 1.00 90.56 3 A 1 ATOM 18 C CA . PRO A 1 3 ? 2.265 2.473 9.881 1.00 92.56 3 A 1 ATOM 19 C C . PRO A 1 3 ? 1.430 1.441 9.118 1.00 93.49 3 A 1 ATOM 20 O O . PRO A 1 3 ? 1.577 1.282 7.907 1.00 90.50 3 A 1 ATOM 21 C CB . PRO A 1 3 ? 3.327 3.101 8.973 1.00 89.09 3 A 1 ATOM 22 C CG . PRO A 1 3 ? 4.538 2.252 9.164 1.00 85.36 3 A 1 ATOM 23 C CD . PRO A 1 3 ? 4.483 1.793 10.608 1.00 88.12 3 A 1 ATOM 24 N N . LEU A 1 4 ? 0.543 0.740 9.824 1.00 91.44 4 A 1 ATOM 25 C CA . LEU A 1 4 ? -0.312 -0.272 9.211 1.00 92.04 4 A 1 ATOM 26 C C . LEU A 1 4 ? -1.374 0.370 8.323 1.00 93.23 4 A 1 ATOM 27 O O . LEU A 1 4 ? -1.706 -0.152 7.259 1.00 91.82 4 A 1 ATOM 28 C CB . LEU A 1 4 ? -0.981 -1.124 10.293 1.00 90.02 4 A 1 ATOM 29 C CG . LEU A 1 4 ? -0.027 -2.007 11.097 1.00 85.08 4 A 1 ATOM 30 C CD1 . LEU A 1 4 ? -0.763 -2.668 12.248 1.00 82.10 4 A 1 ATOM 31 C CD2 . LEU A 1 4 ? 0.614 -3.058 10.207 1.00 78.98 4 A 1 ATOM 32 N N . VAL A 1 5 ? -1.899 1.517 8.764 1.00 92.29 5 A 1 ATOM 33 C CA . VAL A 1 5 ? -2.920 2.243 8.010 1.00 93.13 5 A 1 ATOM 34 C C . VAL A 1 5 ? -2.389 2.734 6.657 1.00 93.69 5 A 1 ATOM 35 O O . VAL A 1 5 ? -3.024 2.487 5.626 1.00 93.18 5 A 1 ATOM 36 C CB . VAL A 1 5 ? -3.491 3.414 8.830 1.00 92.06 5 A 1 ATOM 37 C CG1 . VAL A 1 5 ? -4.536 4.168 8.019 1.00 87.78 5 A 1 ATOM 38 C CG2 . VAL A 1 5 ? -4.090 2.912 10.130 1.00 88.32 5 A 1 ATOM 39 N N . PRO A 1 6 ? -1.227 3.428 6.640 1.00 94.76 6 A 1 ATOM 40 C CA . PRO A 1 6 ? -0.660 3.886 5.360 1.00 94.79 6 A 1 ATOM 41 C C . PRO A 1 6 ? -0.341 2.734 4.417 1.00 95.13 6 A 1 ATOM 42 O O . PRO A 1 6 ? -0.585 2.830 3.215 1.00 93.94 6 A 1 ATOM 43 C CB . PRO A 1 6 ? 0.624 4.620 5.769 1.00 93.43 6 A 1 ATOM 44 C CG . PRO A 1 6 ? 0.402 5.015 7.187 1.00 92.20 6 A 1 ATOM 45 C CD . PRO A 1 6 ? -0.447 3.917 7.778 1.00 93.91 6 A 1 ATOM 46 N N . LEU A 1 7 ? 0.185 1.633 4.956 1.00 93.61 7 A 1 ATOM 47 C CA . LEU A 1 7 ? 0.525 0.467 4.145 1.00 93.37 7 A 1 ATOM 48 C C . LEU A 1 7 ? -0.717 -0.128 3.489 1.00 94.05 7 A 1 ATOM 49 O O . LEU A 1 7 ? -0.701 -0.494 2.313 1.00 93.07 7 A 1 ATOM 50 C CB . LEU A 1 7 ? 1.215 -0.596 5.007 1.00 92.26 7 A 1 ATOM 51 C CG . LEU A 1 7 ? 2.646 -0.261 5.420 1.00 87.32 7 A 1 ATOM 52 C CD1 . LEU A 1 7 ? 3.163 -1.284 6.417 1.00 85.19 7 A 1 ATOM 53 C CD2 . LEU A 1 7 ? 3.559 -0.212 4.206 1.00 83.39 7 A 1 ATOM 54 N N . LEU A 1 8 ? -1.797 -0.217 4.257 1.00 93.44 8 A 1 ATOM 55 C CA . LEU A 1 8 ? -3.058 -0.744 3.746 1.00 93.92 8 A 1 ATOM 56 C C . LEU A 1 8 ? -3.626 0.167 2.665 1.00 95.05 8 A 1 ATOM 57 O O . LEU A 1 8 ? -4.128 -0.303 1.643 1.00 94.78 8 A 1 ATOM 58 C CB . LEU A 1 8 ? -4.069 -0.899 4.885 1.00 93.60 8 A 1 ATOM 59 C CG . LEU A 1 8 ? -5.373 -1.594 4.493 1.00 88.05 8 A 1 ATOM 60 C CD1 . LEU A 1 8 ? -5.118 -3.047 4.113 1.00 86.07 8 A 1 ATOM 61 C CD2 . LEU A 1 8 ? -6.377 -1.523 5.635 1.00 85.34 8 A 1 ATOM 62 N N . LEU A 1 9 ? -3.526 1.475 2.889 1.00 93.91 9 A 1 ATOM 63 C CA . LEU A 1 9 ? -4.007 2.465 1.930 1.00 94.61 9 A 1 ATOM 64 C C . LEU A 1 9 ? -3.261 2.344 0.603 1.00 95.58 9 A 1 ATOM 65 O O . LEU A 1 9 ? -3.872 2.356 -0.467 1.00 95.59 9 A 1 ATOM 66 C CB . LEU A 1 9 ? -3.836 3.874 2.500 1.00 94.06 9 A 1 ATOM 67 C CG . LEU A 1 9 ? -4.415 4.992 1.634 1.00 88.81 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? -5.926 4.867 1.529 1.00 88.32 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? -4.037 6.350 2.203 1.00 87.97 9 A 1 ATOM 70 N N . VAL A 1 10 ? -1.940 2.216 0.674 1.00 94.19 10 A 1 ATOM 71 C CA . VAL A 1 10 ? -1.108 2.066 -0.520 1.00 94.43 10 A 1 ATOM 72 C C . VAL A 1 10 ? -1.467 0.788 -1.271 1.00 95.22 10 A 1 ATOM 73 O O . VAL A 1 10 ? -1.492 0.761 -2.502 1.00 94.55 10 A 1 ATOM 74 C CB . VAL A 1 10 ? 0.386 2.059 -0.152 1.00 93.57 10 A 1 ATOM 75 C CG1 . VAL A 1 10 ? 1.253 1.744 -1.368 1.00 90.84 10 A 1 ATOM 76 C CG2 . VAL A 1 10 ? 0.798 3.397 0.433 1.00 91.19 10 A 1 ATOM 77 N N . SER A 1 11 ? -1.763 -0.273 -0.525 1.00 94.93 11 A 1 ATOM 78 C CA . SER A 1 11 ? -2.144 -1.556 -1.112 1.00 95.12 11 A 1 ATOM 79 C C . SER A 1 11 ? -3.443 -1.439 -1.906 1.00 96.01 11 A 1 ATOM 80 O O . SER A 1 11 ? -3.608 -2.082 -2.940 1.00 95.11 11 A 1 ATOM 81 C CB . SER A 1 11 ? -2.302 -2.612 -0.022 1.00 93.93 11 A 1 ATOM 82 O OG . SER A 1 11 ? -2.614 -3.865 -0.585 1.00 86.07 11 A 1 ATOM 83 N N . ILE A 1 12 ? -4.363 -0.601 -1.425 1.00 94.86 12 A 1 ATOM 84 C CA . ILE A 1 12 ? -5.645 -0.394 -2.094 1.00 95.14 12 A 1 ATOM 85 C C . ILE A 1 12 ? -5.474 0.456 -3.352 1.00 96.00 12 A 1 ATOM 86 O O . ILE A 1 12 ? -6.027 0.141 -4.409 1.00 95.13 12 A 1 ATOM 87 C CB . ILE A 1 12 ? -6.657 0.269 -1.143 1.00 94.66 12 A 1 ATOM 88 C CG1 . ILE A 1 12 ? -6.942 -0.649 0.050 1.00 92.23 12 A 1 ATOM 89 C CG2 . ILE A 1 12 ? -7.956 0.595 -1.880 1.00 91.67 12 A 1 ATOM 90 C CD1 . ILE A 1 12 ? -7.697 0.028 1.171 1.00 88.62 12 A 1 ATOM 91 N N . VAL A 1 13 ? -4.703 1.541 -3.230 1.00 96.25 13 A 1 ATOM 92 C CA . VAL A 1 13 ? -4.469 2.452 -4.351 1.00 96.30 13 A 1 ATOM 93 C C . VAL A 1 13 ? -3.579 1.803 -5.411 1.00 96.57 13 A 1 ATOM 94 O O . VAL A 1 13 ? -3.839 1.908 -6.612 1.00 95.62 13 A 1 ATOM 95 C CB . VAL A 1 13 ? -3.833 3.768 -3.870 1.00 95.44 13 A 1 ATOM 96 C CG1 . VAL A 1 13 ? -3.558 4.696 -5.045 1.00 92.56 13 A 1 ATOM 97 C CG2 . VAL A 1 13 ? -4.728 4.465 -2.861 1.00 92.61 13 A 1 ATOM 98 N N . PHE A 1 14 ? -2.532 1.129 -4.958 1.00 95.15 14 A 1 ATOM 99 C CA . PHE A 1 14 ? -1.593 0.471 -5.855 1.00 95.12 14 A 1 ATOM 100 C C . PHE A 1 14 ? -1.435 -1.001 -5.476 1.00 95.73 14 A 1 ATOM 101 O O . PHE A 1 14 ? -0.541 -1.355 -4.705 1.00 94.80 14 A 1 ATOM 102 C CB . PHE A 1 14 ? -0.237 1.177 -5.807 1.00 93.99 14 A 1 ATOM 103 C CG . PHE A 1 14 ? -0.289 2.624 -6.231 1.00 92.21 14 A 1 ATOM 104 C CD1 . PHE A 1 14 ? -0.338 2.960 -7.571 1.00 88.85 14 A 1 ATOM 105 C CD2 . PHE A 1 14 ? -0.293 3.632 -5.282 1.00 89.33 14 A 1 ATOM 106 C CE1 . PHE A 1 14 ? -0.386 4.288 -7.965 1.00 88.10 14 A 1 ATOM 107 C CE2 . PHE A 1 14 ? -0.347 4.964 -5.668 1.00 87.94 14 A 1 ATOM 108 C CZ . PHE A 1 14 ? -0.393 5.292 -7.011 1.00 88.26 14 A 1 ATOM 109 N N . PRO A 1 15 ? -2.300 -1.880 -6.025 1.00 96.16 15 A 1 ATOM 110 C CA . PRO A 1 15 ? -2.250 -3.314 -5.717 1.00 95.83 15 A 1 ATOM 111 C C . PRO A 1 15 ? -0.963 -3.979 -6.195 1.00 95.62 15 A 1 ATOM 112 O O . PRO A 1 15 ? -0.633 -5.085 -5.761 1.00 92.39 15 A 1 ATOM 113 C CB . PRO A 1 15 ? -3.470 -3.883 -6.455 1.00 94.40 15 A 1 ATOM 114 C CG . PRO A 1 15 ? -3.766 -2.892 -7.532 1.00 93.29 15 A 1 ATOM 115 C CD . PRO A 1 15 ? -3.364 -1.551 -6.980 1.00 95.79 15 A 1 ATOM 116 N N . GLY A 1 16 ? -0.232 -3.318 -7.080 1.00 95.01 16 A 1 ATOM 117 C CA . GLY A 1 16 ? 1.025 -3.859 -7.598 1.00 94.56 16 A 1 ATOM 118 C C . GLY A 1 16 ? 2.217 -3.593 -6.699 1.00 94.48 16 A 1 ATOM 119 O O . GLY A 1 16 ? 3.325 -4.046 -6.987 1.00 92.01 16 A 1 ATOM 120 N N . ILE A 1 17 ? 1.995 -2.849 -5.609 1.00 91.74 17 A 1 ATOM 121 C CA . ILE A 1 17 ? 3.073 -2.520 -4.677 1.00 90.65 17 A 1 ATOM 122 C C . ILE A 1 17 ? 3.324 -3.662 -3.698 1.00 90.77 17 A 1 ATOM 123 O O . ILE A 1 17 ? 4.455 -4.112 -3.522 1.00 88.23 17 A 1 ATOM 124 C CB . ILE A 1 17 ? 2.764 -1.225 -3.909 1.00 88.55 17 A 1 ATOM 125 C CG1 . ILE A 1 17 ? 2.638 -0.041 -4.875 1.00 83.46 17 A 1 ATOM 126 C CG2 . ILE A 1 17 ? 3.837 -0.953 -2.863 1.00 81.91 17 A 1 ATOM 127 C CD1 . ILE A 1 17 ? 3.915 0.259 -5.626 1.00 74.83 17 A 1 ATOM 128 N N . GLN A 1 18 ? 2.253 -4.111 -3.045 1.00 88.61 18 A 1 ATOM 129 C CA . GLN A 1 18 ? 2.356 -5.195 -2.069 1.00 87.66 18 A 1 ATOM 130 C C . GLN A 1 18 ? 2.082 -6.559 -2.698 1.00 86.92 18 A 1 ATOM 131 O O . GLN A 1 18 ? 2.333 -7.593 -2.080 1.00 82.65 18 A 1 ATOM 132 C CB . GLN A 1 18 ? 1.395 -4.957 -0.907 1.00 83.87 18 A 1 ATOM 133 C CG . GLN A 1 18 ? 1.833 -3.831 0.010 1.00 79.34 18 A 1 ATOM 134 C CD . GLN A 1 18 ? 0.952 -3.708 1.233 1.00 76.37 18 A 1 ATOM 135 O OE1 . GLN A 1 18 ? -0.235 -4.011 1.189 1.00 70.93 18 A 1 ATOM 136 N NE2 . GLN A 1 18 ? 1.517 -3.263 2.343 1.00 68.40 18 A 1 ATOM 137 N N . ALA A 1 19 ? 1.587 -6.562 -3.926 1.00 87.50 19 A 1 ATOM 138 C CA . ALA A 1 19 ? 1.265 -7.799 -4.632 1.00 85.48 19 A 1 ATOM 139 C C . ALA A 1 19 ? 2.189 -7.982 -5.830 1.00 82.34 19 A 1 ATOM 140 O O . ALA A 1 19 ? 1.856 -7.551 -6.939 1.00 77.43 19 A 1 ATOM 141 C CB . ALA A 1 19 ? -0.194 -7.789 -5.057 1.00 80.37 19 A 1 ATOM 142 O OXT . ALA A 1 19 ? 3.289 -8.551 -5.636 1.00 72.47 19 A 1 #