# 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_spkb30984 # _entry.id spkb30984 # 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" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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" "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 TRP 2 1 n HIS 3 1 n LEU 4 1 n LEU 5 1 n VAL 6 1 n TRP 7 1 n ILE 8 1 n ILE 9 1 n LEU 10 1 n LEU 11 1 n ALA 12 1 n THR 13 1 n ALA 14 1 n GLN 15 1 n GLN 16 1 n MET 17 1 n ILE 18 1 n THR 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 @ 2025-07-12 05:01:01)" _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 94.94 _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 90.94 1 1 A TRP 2 2 92.58 1 2 A HIS 3 2 93.15 1 3 A LEU 4 2 96.72 1 4 A LEU 5 2 96.94 1 5 A VAL 6 2 98.23 1 6 A TRP 7 2 95.63 1 7 A ILE 8 2 97.44 1 8 A ILE 9 2 97.52 1 9 A LEU 10 2 96.94 1 10 A LEU 11 2 96.33 1 11 A ALA 12 2 98.50 1 12 A THR 13 2 96.75 1 13 A ALA 14 2 98.48 1 14 A GLN 15 2 92.62 1 15 A GLN 16 2 92.34 1 16 A MET 17 2 92.76 1 17 A ILE 18 2 95.08 1 18 A THR 19 2 90.50 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 TRP . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n VAL . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n GLN . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n MET . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n THR . 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 ? -14.067 -6.250 -0.441 1.00 95.34 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.991 -5.454 0.166 1.00 95.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.770 -5.419 -0.746 1.00 96.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.632 -5.559 -0.301 1.00 95.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.607 -6.047 1.518 1.00 93.32 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.723 -5.920 2.526 1.00 88.12 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.214 -6.549 4.126 1.00 85.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.631 -6.112 5.099 1.00 76.86 1 A 1 ATOM 9 N N . TRP A 1 2 ? -12.035 -5.243 -2.025 1.00 96.27 2 A 1 ATOM 10 C CA . TRP A 1 2 ? -10.971 -5.234 -3.007 1.00 97.09 2 A 1 ATOM 11 C C . TRP A 1 2 ? -10.141 -3.964 -2.882 1.00 97.74 2 A 1 ATOM 12 O O . TRP A 1 2 ? -8.915 -4.016 -2.923 1.00 97.26 2 A 1 ATOM 13 C CB . TRP A 1 2 ? -11.577 -5.327 -4.416 1.00 96.05 2 A 1 ATOM 14 C CG . TRP A 1 2 ? -12.345 -6.593 -4.662 1.00 92.98 2 A 1 ATOM 15 C CD1 . TRP A 1 2 ? -12.382 -7.291 -5.835 1.00 91.44 2 A 1 ATOM 16 C CD2 . TRP A 1 2 ? -13.188 -7.330 -3.758 1.00 92.09 2 A 1 ATOM 17 N NE1 . TRP A 1 2 ? -13.183 -8.389 -5.717 1.00 89.27 2 A 1 ATOM 18 C CE2 . TRP A 1 2 ? -13.695 -8.450 -4.451 1.00 91.06 2 A 1 ATOM 19 C CE3 . TRP A 1 2 ? -13.581 -7.167 -2.426 1.00 89.25 2 A 1 ATOM 20 C CZ2 . TRP A 1 2 ? -14.555 -9.377 -3.845 1.00 89.56 2 A 1 ATOM 21 C CZ3 . TRP A 1 2 ? -14.439 -8.101 -1.827 1.00 88.30 2 A 1 ATOM 22 C CH2 . TRP A 1 2 ? -14.910 -9.182 -2.533 1.00 87.78 2 A 1 ATOM 23 N N . HIS A 1 3 ? -10.816 -2.834 -2.729 1.00 97.66 3 A 1 ATOM 24 C CA . HIS A 1 3 ? -10.116 -1.563 -2.585 1.00 97.90 3 A 1 ATOM 25 C C . HIS A 1 3 ? -9.363 -1.497 -1.261 1.00 98.33 3 A 1 ATOM 26 O O . HIS A 1 3 ? -8.350 -0.805 -1.150 1.00 98.06 3 A 1 ATOM 27 C CB . HIS A 1 3 ? -11.108 -0.403 -2.676 1.00 96.99 3 A 1 ATOM 28 C CG . HIS A 1 3 ? -11.295 0.087 -4.078 1.00 93.94 3 A 1 ATOM 29 N ND1 . HIS A 1 3 ? -12.375 -0.247 -4.853 1.00 87.02 3 A 1 ATOM 30 C CD2 . HIS A 1 3 ? -10.521 0.901 -4.833 1.00 86.25 3 A 1 ATOM 31 C CE1 . HIS A 1 3 ? -12.249 0.344 -6.030 1.00 87.22 3 A 1 ATOM 32 N NE2 . HIS A 1 3 ? -11.130 1.048 -6.050 1.00 88.13 3 A 1 ATOM 33 N N . LEU A 1 4 ? -9.872 -2.220 -0.272 1.00 98.35 4 A 1 ATOM 34 C CA . LEU A 1 4 ? -9.232 -2.238 1.039 1.00 98.54 4 A 1 ATOM 35 C C . LEU A 1 4 ? -7.863 -2.898 0.963 1.00 98.71 4 A 1 ATOM 36 O O . LEU A 1 4 ? -6.898 -2.399 1.539 1.00 98.59 4 A 1 ATOM 37 C CB . LEU A 1 4 ? -10.117 -2.965 2.050 1.00 98.39 4 A 1 ATOM 38 C CG . LEU A 1 4 ? -11.245 -2.107 2.627 1.00 95.14 4 A 1 ATOM 39 C CD1 . LEU A 1 4 ? -12.307 -2.983 3.264 1.00 92.73 4 A 1 ATOM 40 C CD2 . LEU A 1 4 ? -10.681 -1.138 3.659 1.00 93.30 4 A 1 ATOM 41 N N . LEU A 1 5 ? -7.793 -4.016 0.254 1.00 98.62 5 A 1 ATOM 42 C CA . LEU A 1 5 ? -6.520 -4.716 0.105 1.00 98.62 5 A 1 ATOM 43 C C . LEU A 1 5 ? -5.527 -3.839 -0.649 1.00 98.72 5 A 1 ATOM 44 O O . LEU A 1 5 ? -4.330 -3.848 -0.357 1.00 98.63 5 A 1 ATOM 45 C CB . LEU A 1 5 ? -6.735 -6.053 -0.614 1.00 98.45 5 A 1 ATOM 46 C CG . LEU A 1 5 ? -6.772 -5.973 -2.139 1.00 95.27 5 A 1 ATOM 47 C CD1 . LEU A 1 5 ? -5.378 -6.217 -2.716 1.00 93.42 5 A 1 ATOM 48 C CD2 . LEU A 1 5 ? -7.737 -7.007 -2.690 1.00 93.76 5 A 1 ATOM 49 N N . VAL A 1 6 ? -6.035 -3.092 -1.608 1.00 98.65 6 A 1 ATOM 50 C CA . VAL A 1 6 ? -5.201 -2.175 -2.382 1.00 98.62 6 A 1 ATOM 51 C C . VAL A 1 6 ? -4.690 -1.061 -1.479 1.00 98.69 6 A 1 ATOM 52 O O . VAL A 1 6 ? -3.569 -0.573 -1.647 1.00 98.55 6 A 1 ATOM 53 C CB . VAL A 1 6 ? -5.988 -1.580 -3.560 1.00 98.36 6 A 1 ATOM 54 C CG1 . VAL A 1 6 ? -5.141 -0.575 -4.322 1.00 97.41 6 A 1 ATOM 55 C CG2 . VAL A 1 6 ? -6.462 -2.677 -4.494 1.00 97.32 6 A 1 ATOM 56 N N . TRP A 1 7 ? -5.516 -0.669 -0.533 1.00 98.34 7 A 1 ATOM 57 C CA . TRP A 1 7 ? -5.151 0.381 0.407 1.00 98.35 7 A 1 ATOM 58 C C . TRP A 1 7 ? -3.954 -0.052 1.238 1.00 98.51 7 A 1 ATOM 59 O O . TRP A 1 7 ? -3.052 0.737 1.507 1.00 98.40 7 A 1 ATOM 60 C CB . TRP A 1 7 ? -6.337 0.706 1.325 1.00 98.21 7 A 1 ATOM 61 C CG . TRP A 1 7 ? -6.887 2.077 1.069 1.00 97.06 7 A 1 ATOM 62 C CD1 . TRP A 1 7 ? -8.190 2.407 0.863 1.00 94.35 7 A 1 ATOM 63 C CD2 . TRP A 1 7 ? -6.158 3.306 0.996 1.00 95.27 7 A 1 ATOM 64 N NE1 . TRP A 1 7 ? -8.313 3.759 0.667 1.00 93.27 7 A 1 ATOM 65 C CE2 . TRP A 1 7 ? -7.081 4.347 0.739 1.00 95.11 7 A 1 ATOM 66 C CE3 . TRP A 1 7 ? -4.804 3.647 1.121 1.00 93.38 7 A 1 ATOM 67 C CZ2 . TRP A 1 7 ? -6.688 5.680 0.612 1.00 94.33 7 A 1 ATOM 68 C CZ3 . TRP A 1 7 ? -4.416 4.971 0.993 1.00 92.10 7 A 1 ATOM 69 C CH2 . TRP A 1 7 ? -5.352 5.973 0.745 1.00 92.11 7 A 1 ATOM 70 N N . ILE A 1 8 ? -3.966 -1.319 1.620 1.00 98.45 8 A 1 ATOM 71 C CA . ILE A 1 8 ? -2.868 -1.861 2.413 1.00 98.41 8 A 1 ATOM 72 C C . ILE A 1 8 ? -1.576 -1.819 1.605 1.00 98.54 8 A 1 ATOM 73 O O . ILE A 1 8 ? -0.512 -1.478 2.129 1.00 98.48 8 A 1 ATOM 74 C CB . ILE A 1 8 ? -3.175 -3.301 2.856 1.00 98.29 8 A 1 ATOM 75 C CG1 . ILE A 1 8 ? -4.443 -3.339 3.712 1.00 97.16 8 A 1 ATOM 76 C CG2 . ILE A 1 8 ? -1.991 -3.866 3.644 1.00 96.85 8 A 1 ATOM 77 C CD1 . ILE A 1 8 ? -4.994 -4.731 3.889 1.00 93.35 8 A 1 ATOM 78 N N . ILE A 1 9 ? -1.684 -2.172 0.348 1.00 98.56 9 A 1 ATOM 79 C CA . ILE A 1 9 ? -0.522 -2.161 -0.534 1.00 98.51 9 A 1 ATOM 80 C C . ILE A 1 9 ? -0.025 -0.734 -0.724 1.00 98.56 9 A 1 ATOM 81 O O . ILE A 1 9 ? 1.185 -0.483 -0.729 1.00 98.46 9 A 1 ATOM 82 C CB . ILE A 1 9 ? -0.862 -2.788 -1.897 1.00 98.41 9 A 1 ATOM 83 C CG1 . ILE A 1 9 ? -1.299 -4.241 -1.733 1.00 97.40 9 A 1 ATOM 84 C CG2 . ILE A 1 9 ? 0.349 -2.706 -2.830 1.00 97.12 9 A 1 ATOM 85 C CD1 . ILE A 1 9 ? -2.056 -4.771 -2.928 1.00 93.15 9 A 1 ATOM 86 N N . LEU A 1 10 ? -0.963 0.178 -0.881 1.00 98.63 10 A 1 ATOM 87 C CA . LEU A 1 10 ? -0.622 1.585 -1.050 1.00 98.56 10 A 1 ATOM 88 C C . LEU A 1 10 ? 0.079 2.117 0.190 1.00 98.59 10 A 1 ATOM 89 O O . LEU A 1 10 ? 1.056 2.862 0.086 1.00 98.45 10 A 1 ATOM 90 C CB . LEU A 1 10 ? -1.889 2.396 -1.326 1.00 98.43 10 A 1 ATOM 91 C CG . LEU A 1 10 ? -2.257 2.496 -2.807 1.00 95.71 10 A 1 ATOM 92 C CD1 . LEU A 1 10 ? -3.744 2.768 -2.969 1.00 93.28 10 A 1 ATOM 93 C CD2 . LEU A 1 10 ? -1.449 3.597 -3.475 1.00 93.88 10 A 1 ATOM 94 N N . LEU A 1 11 ? -0.421 1.725 1.342 1.00 98.57 11 A 1 ATOM 95 C CA . LEU A 1 11 ? 0.171 2.152 2.604 1.00 98.42 11 A 1 ATOM 96 C C . LEU A 1 11 ? 1.577 1.597 2.748 1.00 98.50 11 A 1 ATOM 97 O O . LEU A 1 11 ? 2.497 2.311 3.161 1.00 98.31 11 A 1 ATOM 98 C CB . LEU A 1 11 ? -0.702 1.686 3.766 1.00 98.11 11 A 1 ATOM 99 C CG . LEU A 1 11 ? -1.681 2.742 4.266 1.00 94.21 11 A 1 ATOM 100 C CD1 . LEU A 1 11 ? -2.948 2.090 4.792 1.00 92.01 11 A 1 ATOM 101 C CD2 . LEU A 1 11 ? -1.031 3.585 5.345 1.00 92.49 11 A 1 ATOM 102 N N . ALA A 1 12 ? 1.727 0.335 2.413 1.00 98.58 12 A 1 ATOM 103 C CA . ALA A 1 12 ? 3.030 -0.310 2.497 1.00 98.53 12 A 1 ATOM 104 C C . ALA A 1 12 ? 4.008 0.328 1.521 1.00 98.63 12 A 1 ATOM 105 O O . ALA A 1 12 ? 5.178 0.530 1.845 1.00 98.41 12 A 1 ATOM 106 C CB . ALA A 1 12 ? 2.890 -1.793 2.208 1.00 98.37 12 A 1 ATOM 107 N N . THR A 1 13 ? 3.523 0.641 0.340 1.00 98.61 13 A 1 ATOM 108 C CA . THR A 1 13 ? 4.349 1.271 -0.683 1.00 98.49 13 A 1 ATOM 109 C C . THR A 1 13 ? 4.768 2.664 -0.245 1.00 98.56 13 A 1 ATOM 110 O O . THR A 1 13 ? 5.919 3.064 -0.443 1.00 98.15 13 A 1 ATOM 111 C CB . THR A 1 13 ? 3.590 1.360 -2.010 1.00 98.02 13 A 1 ATOM 112 O OG1 . THR A 1 13 ? 3.056 0.088 -2.343 1.00 92.77 13 A 1 ATOM 113 C CG2 . THR A 1 13 ? 4.514 1.814 -3.128 1.00 92.63 13 A 1 ATOM 114 N N . ALA A 1 14 ? 3.828 3.390 0.338 1.00 98.73 14 A 1 ATOM 115 C CA . ALA A 1 14 ? 4.104 4.741 0.813 1.00 98.60 14 A 1 ATOM 116 C C . ALA A 1 14 ? 5.144 4.711 1.922 1.00 98.64 14 A 1 ATOM 117 O O . ALA A 1 14 ? 6.034 5.561 1.971 1.00 98.22 14 A 1 ATOM 118 C CB . ALA A 1 14 ? 2.823 5.392 1.309 1.00 98.23 14 A 1 ATOM 119 N N . GLN A 1 15 ? 5.030 3.732 2.794 1.00 98.66 15 A 1 ATOM 120 C CA . GLN A 1 15 ? 5.971 3.589 3.900 1.00 98.57 15 A 1 ATOM 121 C C . GLN A 1 15 ? 7.356 3.231 3.382 1.00 98.56 15 A 1 ATOM 122 O O . GLN A 1 15 ? 8.363 3.734 3.876 1.00 98.03 15 A 1 ATOM 123 C CB . GLN A 1 15 ? 5.489 2.521 4.872 1.00 98.27 15 A 1 ATOM 124 C CG . GLN A 1 15 ? 4.525 3.082 5.899 1.00 93.28 15 A 1 ATOM 125 C CD . GLN A 1 15 ? 4.096 2.039 6.902 1.00 87.22 15 A 1 ATOM 126 O OE1 . GLN A 1 15 ? 4.070 0.853 6.594 1.00 82.28 15 A 1 ATOM 127 N NE2 . GLN A 1 15 ? 3.744 2.457 8.107 1.00 78.71 15 A 1 ATOM 128 N N . GLN A 1 16 ? 7.388 2.369 2.395 1.00 98.55 16 A 1 ATOM 129 C CA . GLN A 1 16 ? 8.654 1.962 1.800 1.00 98.35 16 A 1 ATOM 130 C C . GLN A 1 16 ? 9.313 3.127 1.073 1.00 98.21 16 A 1 ATOM 131 O O . GLN A 1 16 ? 10.538 3.233 1.041 1.00 96.83 16 A 1 ATOM 132 C CB . GLN A 1 16 ? 8.423 0.810 0.830 1.00 97.93 16 A 1 ATOM 133 C CG . GLN A 1 16 ? 9.588 -0.156 0.802 1.00 93.37 16 A 1 ATOM 134 C CD . GLN A 1 16 ? 9.432 -1.226 -0.247 1.00 87.29 16 A 1 ATOM 135 O OE1 . GLN A 1 16 ? 8.674 -1.073 -1.199 1.00 82.14 16 A 1 ATOM 136 N NE2 . GLN A 1 16 ? 10.160 -2.318 -0.103 1.00 78.40 16 A 1 ATOM 137 N N . MET A 1 17 ? 8.492 3.980 0.488 1.00 98.20 17 A 1 ATOM 138 C CA . MET A 1 17 ? 8.989 5.148 -0.230 1.00 97.83 17 A 1 ATOM 139 C C . MET A 1 17 ? 9.689 6.123 0.708 1.00 97.66 17 A 1 ATOM 140 O O . MET A 1 17 ? 10.787 6.593 0.424 1.00 95.90 17 A 1 ATOM 141 C CB . MET A 1 17 ? 7.841 5.859 -0.946 1.00 97.09 17 A 1 ATOM 142 C CG . MET A 1 17 ? 7.738 5.481 -2.409 1.00 93.35 17 A 1 ATOM 143 S SD . MET A 1 17 ? 6.437 6.384 -3.253 1.00 85.34 17 A 1 ATOM 144 C CE . MET A 1 17 ? 7.060 6.373 -4.922 1.00 76.68 17 A 1 ATOM 145 N N . ILE A 1 18 ? 9.026 6.433 1.805 1.00 98.04 18 A 1 ATOM 146 C CA . ILE A 1 18 ? 9.588 7.355 2.786 1.00 97.68 18 A 1 ATOM 147 C C . ILE A 1 18 ? 10.657 6.684 3.636 1.00 97.44 18 A 1 ATOM 148 O O . ILE A 1 18 ? 11.653 7.303 4.006 1.00 95.82 18 A 1 ATOM 149 C CB . ILE A 1 18 ? 8.483 7.934 3.686 1.00 97.01 18 A 1 ATOM 150 C CG1 . ILE A 1 18 ? 7.619 6.825 4.275 1.00 93.92 18 A 1 ATOM 151 C CG2 . ILE A 1 18 ? 7.639 8.921 2.891 1.00 92.54 18 A 1 ATOM 152 C CD1 . ILE A 1 18 ? 6.946 7.236 5.565 1.00 88.19 18 A 1 ATOM 153 N N . THR A 1 19 ? 10.421 5.415 3.946 1.00 96.88 19 A 1 ATOM 154 C CA . THR A 1 19 ? 11.338 4.650 4.783 1.00 95.36 19 A 1 ATOM 155 C C . THR A 1 19 ? 12.396 3.957 3.942 1.00 92.82 19 A 1 ATOM 156 O O . THR A 1 19 ? 12.048 3.361 2.916 1.00 87.29 19 A 1 ATOM 157 C CB . THR A 1 19 ? 10.591 3.612 5.622 1.00 92.77 19 A 1 ATOM 158 O OG1 . THR A 1 19 ? 9.456 4.221 6.227 1.00 86.53 19 A 1 ATOM 159 C CG2 . THR A 1 19 ? 11.486 3.056 6.718 1.00 87.21 19 A 1 ATOM 160 O OXT . THR A 1 19 ? 13.556 3.977 4.332 1.00 85.13 19 A 1 #