# 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_spkb21988 # _entry.id spkb21988 # 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" "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" "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" "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 GLU 2 1 n SER 3 1 n PRO 4 1 n ILE 5 1 n PHE 6 1 n ILE 7 1 n LEU 8 1 n ILE 9 1 n THR 10 1 n LEU 11 1 n SER 12 1 n PHE 13 1 n PHE 14 1 n LEU 15 1 n GLN 16 1 n SER 17 1 n VAL 18 1 n LEU 19 1 n ALA 20 # _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 @ 2025-07-06 05:50:52)" _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 92.25 _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 79.62 1 1 A GLU 2 2 75.38 1 2 A SER 3 2 86.91 1 3 A PRO 4 2 93.16 1 4 A ILE 5 2 92.61 1 5 A PHE 6 2 92.90 1 6 A ILE 7 2 93.96 1 7 A LEU 8 2 95.01 1 8 A ILE 9 2 95.80 1 9 A THR 10 2 95.28 1 10 A LEU 11 2 94.34 1 11 A SER 12 2 95.60 1 12 A PHE 13 2 94.73 1 13 A PHE 14 2 95.62 1 14 A LEU 15 2 95.83 1 15 A GLN 16 2 93.10 1 16 A SER 17 2 96.20 1 17 A VAL 18 2 95.81 1 18 A LEU 19 2 94.26 1 19 A ALA 20 2 89.10 1 20 # _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 GLU . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLN . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -17.175 -6.705 -4.400 1.00 85.22 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.603 -5.956 -3.266 1.00 87.47 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.178 -6.407 -3.000 1.00 87.65 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.942 -7.556 -2.643 1.00 83.01 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.446 -6.157 -2.004 1.00 83.17 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.967 -5.316 -0.832 1.00 77.08 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.963 -5.528 0.655 1.00 70.75 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.471 -4.714 0.162 1.00 62.64 1 A 1 ATOM 9 N N . GLU A 1 2 ? -14.233 -5.501 -3.178 1.00 82.97 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -12.829 -5.806 -2.942 1.00 85.96 2 A 1 ATOM 11 C C . GLU A 1 2 ? -12.433 -5.501 -1.500 1.00 87.10 2 A 1 ATOM 12 O O . GLU A 1 2 ? -13.263 -5.108 -0.685 1.00 82.48 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -11.955 -5.000 -3.895 1.00 79.02 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -12.271 -5.250 -5.346 1.00 70.52 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -11.209 -4.704 -6.257 1.00 67.40 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -10.161 -5.338 -6.390 1.00 60.45 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -11.434 -3.632 -6.834 1.00 62.53 2 A 1 ATOM 18 N N . SER A 1 3 ? -11.152 -5.670 -1.189 1.00 86.88 3 A 1 ATOM 19 C CA . SER A 1 3 ? -10.657 -5.426 0.163 1.00 91.11 3 A 1 ATOM 20 C C . SER A 1 3 ? -9.779 -4.175 0.206 1.00 93.26 3 A 1 ATOM 21 O O . SER A 1 3 ? -8.577 -4.248 -0.043 1.00 90.44 3 A 1 ATOM 22 C CB . SER A 1 3 ? -9.872 -6.631 0.661 1.00 85.14 3 A 1 ATOM 23 O OG . SER A 1 3 ? -8.920 -7.048 -0.284 1.00 74.62 3 A 1 ATOM 24 N N . PRO A 1 4 ? -10.365 -3.021 0.526 1.00 92.92 4 A 1 ATOM 25 C CA . PRO A 1 4 ? -9.623 -1.759 0.599 1.00 95.18 4 A 1 ATOM 26 C C . PRO A 1 4 ? -8.592 -1.757 1.720 1.00 96.55 4 A 1 ATOM 27 O O . PRO A 1 4 ? -7.613 -1.011 1.667 1.00 94.96 4 A 1 ATOM 28 C CB . PRO A 1 4 ? -10.711 -0.713 0.855 1.00 92.42 4 A 1 ATOM 29 C CG . PRO A 1 4 ? -11.819 -1.462 1.495 1.00 89.16 4 A 1 ATOM 30 C CD . PRO A 1 4 ? -11.781 -2.839 0.898 1.00 90.94 4 A 1 ATOM 31 N N . ILE A 1 5 ? -8.825 -2.585 2.726 1.00 95.22 5 A 1 ATOM 32 C CA . ILE A 1 5 ? -7.910 -2.685 3.859 1.00 95.99 5 A 1 ATOM 33 C C . ILE A 1 5 ? -6.521 -3.124 3.402 1.00 96.63 5 A 1 ATOM 34 O O . ILE A 1 5 ? -5.507 -2.638 3.900 1.00 96.16 5 A 1 ATOM 35 C CB . ILE A 1 5 ? -8.453 -3.662 4.922 1.00 95.07 5 A 1 ATOM 36 C CG1 . ILE A 1 5 ? -7.588 -3.604 6.181 1.00 90.41 5 A 1 ATOM 37 C CG2 . ILE A 1 5 ? -8.516 -5.082 4.377 1.00 88.77 5 A 1 ATOM 38 C CD1 . ILE A 1 5 ? -7.800 -2.349 6.990 1.00 82.60 5 A 1 ATOM 39 N N . PHE A 1 6 ? -6.483 -4.034 2.448 1.00 96.05 6 A 1 ATOM 40 C CA . PHE A 1 6 ? -5.221 -4.537 1.921 1.00 96.31 6 A 1 ATOM 41 C C . PHE A 1 6 ? -4.439 -3.423 1.237 1.00 96.88 6 A 1 ATOM 42 O O . PHE A 1 6 ? -3.221 -3.322 1.385 1.00 96.61 6 A 1 ATOM 43 C CB . PHE A 1 6 ? -5.479 -5.675 0.935 1.00 95.34 6 A 1 ATOM 44 C CG . PHE A 1 6 ? -4.215 -6.297 0.408 1.00 93.59 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? -3.244 -6.750 1.279 1.00 90.24 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? -4.013 -6.429 -0.952 1.00 90.24 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? -2.075 -7.325 0.809 1.00 89.11 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? -2.843 -7.005 -1.433 1.00 88.84 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? -1.876 -7.448 -0.553 1.00 88.68 6 A 1 ATOM 50 N N . ILE A 1 7 ? -5.149 -2.598 0.501 1.00 95.83 7 A 1 ATOM 51 C CA . ILE A 1 7 ? -4.529 -1.471 -0.188 1.00 96.01 7 A 1 ATOM 52 C C . ILE A 1 7 ? -3.991 -0.463 0.819 1.00 96.62 7 A 1 ATOM 53 O O . ILE A 1 7 ? -2.918 0.113 0.629 1.00 96.44 7 A 1 ATOM 54 C CB . ILE A 1 7 ? -5.533 -0.782 -1.129 1.00 95.54 7 A 1 ATOM 55 C CG1 . ILE A 1 7 ? -6.099 -1.788 -2.127 1.00 92.66 7 A 1 ATOM 56 C CG2 . ILE A 1 7 ? -4.869 0.375 -1.859 1.00 91.47 7 A 1 ATOM 57 C CD1 . ILE A 1 7 ? -7.219 -1.228 -2.967 1.00 87.12 7 A 1 ATOM 58 N N . LEU A 1 8 ? -4.741 -0.258 1.884 1.00 97.14 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -4.338 0.661 2.942 1.00 97.36 8 A 1 ATOM 60 C C . LEU A 1 8 ? -3.048 0.198 3.610 1.00 97.34 8 A 1 ATOM 61 O O . LEU A 1 8 ? -2.137 0.990 3.850 1.00 97.07 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -5.456 0.782 3.982 1.00 97.15 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -6.209 2.113 3.987 1.00 93.29 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -6.507 2.569 2.567 1.00 90.26 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -7.487 1.992 4.786 1.00 90.49 8 A 1 ATOM 66 N N . ILE A 1 9 ? -2.987 -1.082 3.908 1.00 97.16 9 A 1 ATOM 67 C CA . ILE A 1 9 ? -1.804 -1.665 4.542 1.00 97.03 9 A 1 ATOM 68 C C . ILE A 1 9 ? -0.601 -1.560 3.615 1.00 97.34 9 A 1 ATOM 69 O O . ILE A 1 9 ? 0.494 -1.179 4.031 1.00 96.97 9 A 1 ATOM 70 C CB . ILE A 1 9 ? -2.051 -3.137 4.914 1.00 96.70 9 A 1 ATOM 71 C CG1 . ILE A 1 9 ? -3.182 -3.244 5.944 1.00 95.14 9 A 1 ATOM 72 C CG2 . ILE A 1 9 ? -0.775 -3.761 5.472 1.00 94.67 9 A 1 ATOM 73 C CD1 . ILE A 1 9 ? -2.855 -2.576 7.261 1.00 91.38 9 A 1 ATOM 74 N N . THR A 1 10 ? -0.811 -1.898 2.368 1.00 96.80 10 A 1 ATOM 75 C CA . THR A 1 10 ? 0.255 -1.843 1.374 1.00 97.05 10 A 1 ATOM 76 C C . THR A 1 10 ? 0.744 -0.410 1.186 1.00 97.38 10 A 1 ATOM 77 O O . THR A 1 10 ? 1.944 -0.161 1.073 1.00 96.79 10 A 1 ATOM 78 C CB . THR A 1 10 ? -0.226 -2.392 0.028 1.00 96.23 10 A 1 ATOM 79 O OG1 . THR A 1 10 ? -0.748 -3.707 0.205 1.00 92.29 10 A 1 ATOM 80 C CG2 . THR A 1 10 ? 0.916 -2.437 -0.969 1.00 90.41 10 A 1 ATOM 81 N N . LEU A 1 11 ? -0.187 0.517 1.156 1.00 96.89 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 0.144 1.927 0.997 1.00 96.82 11 A 1 ATOM 83 C C . LEU A 1 11 ? 0.967 2.424 2.178 1.00 97.19 11 A 1 ATOM 84 O O . LEU A 1 11 ? 1.946 3.150 2.001 1.00 96.95 11 A 1 ATOM 85 C CB . LEU A 1 11 ? -1.139 2.754 0.872 1.00 96.47 11 A 1 ATOM 86 C CG . LEU A 1 11 ? -0.921 4.242 0.617 1.00 92.09 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? -0.247 4.464 -0.726 1.00 88.76 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? -2.246 4.987 0.673 1.00 89.58 11 A 1 ATOM 89 N N . SER A 1 12 ? 0.569 2.043 3.374 1.00 97.13 12 A 1 ATOM 90 C CA . SER A 1 12 ? 1.276 2.430 4.587 1.00 97.16 12 A 1 ATOM 91 C C . SER A 1 12 ? 2.697 1.878 4.582 1.00 97.41 12 A 1 ATOM 92 O O . SER A 1 12 ? 3.650 2.579 4.924 1.00 96.66 12 A 1 ATOM 93 C CB . SER A 1 12 ? 0.533 1.932 5.825 1.00 96.24 12 A 1 ATOM 94 O OG . SER A 1 12 ? 1.200 2.352 6.993 1.00 88.99 12 A 1 ATOM 95 N N . PHE A 1 13 ? 2.832 0.629 4.193 1.00 97.61 13 A 1 ATOM 96 C CA . PHE A 1 13 ? 4.134 -0.019 4.127 1.00 97.53 13 A 1 ATOM 97 C C . PHE A 1 13 ? 5.008 0.646 3.069 1.00 97.80 13 A 1 ATOM 98 O O . PHE A 1 13 ? 6.207 0.841 3.263 1.00 97.39 13 A 1 ATOM 99 C CB . PHE A 1 13 ? 3.953 -1.502 3.807 1.00 97.04 13 A 1 ATOM 100 C CG . PHE A 1 13 ? 4.759 -2.401 4.708 1.00 94.89 13 A 1 ATOM 101 C CD1 . PHE A 1 13 ? 6.126 -2.527 4.536 1.00 92.36 13 A 1 ATOM 102 C CD2 . PHE A 1 13 ? 4.135 -3.109 5.724 1.00 93.04 13 A 1 ATOM 103 C CE1 . PHE A 1 13 ? 6.873 -3.347 5.365 1.00 91.64 13 A 1 ATOM 104 C CE2 . PHE A 1 13 ? 4.878 -3.933 6.557 1.00 91.23 13 A 1 ATOM 105 C CZ . PHE A 1 13 ? 6.246 -4.054 6.378 1.00 91.50 13 A 1 ATOM 106 N N . PHE A 1 14 ? 4.389 0.994 1.960 1.00 97.50 14 A 1 ATOM 107 C CA . PHE A 1 14 ? 5.090 1.653 0.866 1.00 97.64 14 A 1 ATOM 108 C C . PHE A 1 14 ? 5.633 3.008 1.307 1.00 97.84 14 A 1 ATOM 109 O O . PHE A 1 14 ? 6.790 3.339 1.049 1.00 97.47 14 A 1 ATOM 110 C CB . PHE A 1 14 ? 4.148 1.829 -0.325 1.00 97.35 14 A 1 ATOM 111 C CG . PHE A 1 14 ? 4.778 2.569 -1.478 1.00 96.45 14 A 1 ATOM 112 C CD1 . PHE A 1 14 ? 5.735 1.959 -2.269 1.00 93.62 14 A 1 ATOM 113 C CD2 . PHE A 1 14 ? 4.409 3.871 -1.755 1.00 94.22 14 A 1 ATOM 114 C CE1 . PHE A 1 14 ? 6.319 2.635 -3.328 1.00 93.03 14 A 1 ATOM 115 C CE2 . PHE A 1 14 ? 4.995 4.556 -2.812 1.00 93.10 14 A 1 ATOM 116 C CZ . PHE A 1 14 ? 5.951 3.938 -3.598 1.00 93.63 14 A 1 ATOM 117 N N . LEU A 1 15 ? 4.790 3.781 1.977 1.00 97.81 15 A 1 ATOM 118 C CA . LEU A 1 15 ? 5.187 5.100 2.456 1.00 97.84 15 A 1 ATOM 119 C C . LEU A 1 15 ? 6.321 4.996 3.468 1.00 97.78 15 A 1 ATOM 120 O O . LEU A 1 15 ? 7.257 5.793 3.449 1.00 97.34 15 A 1 ATOM 121 C CB . LEU A 1 15 ? 3.990 5.812 3.085 1.00 97.61 15 A 1 ATOM 122 C CG . LEU A 1 15 ? 2.919 6.243 2.087 1.00 95.09 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? 1.670 6.704 2.814 1.00 91.50 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? 3.452 7.351 1.187 1.00 91.66 15 A 1 ATOM 125 N N . GLN A 1 16 ? 6.228 4.023 4.361 1.00 98.00 16 A 1 ATOM 126 C CA . GLN A 1 16 ? 7.262 3.808 5.369 1.00 97.89 16 A 1 ATOM 127 C C . GLN A 1 16 ? 8.573 3.385 4.725 1.00 97.96 16 A 1 ATOM 128 O O . GLN A 1 16 ? 9.643 3.834 5.127 1.00 96.79 16 A 1 ATOM 129 C CB . GLN A 1 16 ? 6.811 2.752 6.376 1.00 97.17 16 A 1 ATOM 130 C CG . GLN A 1 16 ? 6.264 3.348 7.658 1.00 93.07 16 A 1 ATOM 131 C CD . GLN A 1 16 ? 6.966 2.791 8.882 1.00 90.31 16 A 1 ATOM 132 O OE1 . GLN A 1 16 ? 8.080 2.281 8.799 1.00 85.70 16 A 1 ATOM 133 N NE2 . GLN A 1 16 ? 6.321 2.875 10.033 1.00 80.98 16 A 1 ATOM 134 N N . SER A 1 17 ? 8.489 2.536 3.731 1.00 97.78 17 A 1 ATOM 135 C CA . SER A 1 17 ? 9.665 2.043 3.031 1.00 97.67 17 A 1 ATOM 136 C C . SER A 1 17 ? 10.378 3.170 2.296 1.00 97.78 17 A 1 ATOM 137 O O . SER A 1 17 ? 11.606 3.223 2.266 1.00 96.49 17 A 1 ATOM 138 C CB . SER A 1 17 ? 9.278 0.944 2.041 1.00 96.72 17 A 1 ATOM 139 O OG . SER A 1 17 ? 10.420 0.432 1.405 1.00 90.79 17 A 1 ATOM 140 N N . VAL A 1 18 ? 9.614 4.074 1.714 1.00 97.62 18 A 1 ATOM 141 C CA . VAL A 1 18 ? 10.182 5.194 0.966 1.00 97.48 18 A 1 ATOM 142 C C . VAL A 1 18 ? 10.824 6.218 1.895 1.00 97.60 18 A 1 ATOM 143 O O . VAL A 1 18 ? 11.906 6.738 1.612 1.00 96.62 18 A 1 ATOM 144 C CB . VAL A 1 18 ? 9.112 5.885 0.101 1.00 96.44 18 A 1 ATOM 145 C CG1 . VAL A 1 18 ? 9.689 7.112 -0.592 1.00 92.81 18 A 1 ATOM 146 C CG2 . VAL A 1 18 ? 8.560 4.923 -0.933 1.00 92.11 18 A 1 ATOM 147 N N . LEU A 1 19 ? 10.146 6.513 2.994 1.00 97.07 19 A 1 ATOM 148 C CA . LEU A 1 19 ? 10.635 7.500 3.948 1.00 96.96 19 A 1 ATOM 149 C C . LEU A 1 19 ? 11.775 6.952 4.796 1.00 96.75 19 A 1 ATOM 150 O O . LEU A 1 19 ? 12.786 7.626 5.005 1.00 95.89 19 A 1 ATOM 151 C CB . LEU A 1 19 ? 9.491 7.967 4.847 1.00 96.23 19 A 1 ATOM 152 C CG . LEU A 1 19 ? 8.395 8.745 4.120 1.00 93.61 19 A 1 ATOM 153 C CD1 . LEU A 1 19 ? 7.217 8.993 5.044 1.00 89.28 19 A 1 ATOM 154 C CD2 . LEU A 1 19 ? 8.944 10.058 3.592 1.00 88.26 19 A 1 ATOM 155 N N . ALA A 1 20 ? 11.609 5.753 5.286 1.00 95.63 20 A 1 ATOM 156 C CA . ALA A 1 20 ? 12.607 5.105 6.135 1.00 93.89 20 A 1 ATOM 157 C C . ALA A 1 20 ? 13.584 4.302 5.286 1.00 90.82 20 A 1 ATOM 158 O O . ALA A 1 20 ? 14.794 4.589 5.324 1.00 85.76 20 A 1 ATOM 159 C CB . ALA A 1 20 ? 11.926 4.212 7.166 1.00 89.40 20 A 1 ATOM 160 O OXT . ALA A 1 20 ? 13.132 3.387 4.603 1.00 79.12 20 A 1 #