# 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_spkb28963 # _entry.id spkb28963 # 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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LYS 2 1 n LYS 3 1 n LEU 4 1 n LYS 5 1 n ILE 6 1 n ASN 7 1 n TYR 8 1 n LEU 9 1 n PHE 10 1 n ILE 11 1 n GLY 12 1 n ILE 13 1 n LEU 14 1 n ALA 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n ALA 19 1 n VAL 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 @ 2025-07-12 00:44:10)" _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 92.45 _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 80.80 1 1 A LYS 2 2 86.24 1 2 A LYS 3 2 86.48 1 3 A LEU 4 2 89.68 1 4 A LYS 5 2 87.55 1 5 A ILE 6 2 92.98 1 6 A ASN 7 2 92.37 1 7 A TYR 8 2 94.78 1 8 A LEU 9 2 94.94 1 9 A PHE 10 2 94.14 1 10 A ILE 11 2 95.32 1 11 A GLY 12 2 97.96 1 12 A ILE 13 2 96.30 1 13 A LEU 14 2 94.93 1 14 A ALA 15 2 97.91 1 15 A LEU 16 2 94.93 1 16 A LEU 17 2 96.20 1 17 A LEU 18 2 95.05 1 18 A ALA 19 2 97.54 1 19 A VAL 20 2 93.72 1 20 A ALA 21 2 87.71 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 LYS . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n TYR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n VAL . 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 ? -14.576 -1.462 4.314 1.00 86.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.804 -0.896 3.179 1.00 89.70 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.582 -1.761 2.880 1.00 91.02 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.570 -1.661 3.563 1.00 84.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.339 0.511 3.507 1.00 82.69 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.467 1.382 4.018 1.00 76.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.959 3.086 4.189 1.00 71.07 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.292 3.347 5.920 1.00 63.64 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.695 -2.614 1.878 1.00 94.25 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.583 -3.491 1.501 1.00 94.77 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.463 -2.699 0.825 1.00 95.62 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.289 -3.045 0.952 1.00 94.40 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -12.087 -4.577 0.547 1.00 92.78 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.211 -5.424 1.136 1.00 84.56 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -12.694 -6.427 2.131 1.00 80.70 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -13.798 -7.357 2.598 1.00 73.53 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -13.960 -8.495 1.679 1.00 65.58 2 A 1 ATOM 18 N N . LYS A 1 3 ? -10.834 -1.654 0.108 1.00 94.91 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -9.851 -0.827 -0.599 1.00 95.70 3 A 1 ATOM 20 C C . LYS A 1 3 ? -8.955 -0.068 0.375 1.00 96.31 3 A 1 ATOM 21 O O . LYS A 1 3 ? -7.855 0.348 0.010 1.00 95.28 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -10.578 0.151 -1.516 1.00 94.04 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -11.334 -0.557 -2.633 1.00 84.36 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -10.389 -1.104 -3.682 1.00 81.06 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -11.130 -1.901 -4.736 1.00 71.54 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -10.183 -2.650 -5.582 1.00 65.14 3 A 1 ATOM 27 N N . LEU A 1 4 ? -9.422 0.115 1.592 1.00 94.11 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -8.655 0.835 2.610 1.00 94.90 4 A 1 ATOM 29 C C . LEU A 1 4 ? -7.325 0.138 2.884 1.00 96.35 4 A 1 ATOM 30 O O . LEU A 1 4 ? -6.324 0.777 3.197 1.00 95.70 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -9.471 0.942 3.905 1.00 93.55 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -9.471 2.339 4.533 1.00 84.52 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -8.052 2.794 4.838 1.00 79.76 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -10.156 3.329 3.613 1.00 78.52 4 A 1 ATOM 35 N N . LYS A 1 5 ? -7.328 -1.191 2.749 1.00 94.93 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -6.103 -1.964 2.984 1.00 96.05 5 A 1 ATOM 37 C C . LYS A 1 5 ? -5.021 -1.555 1.993 1.00 96.50 5 A 1 ATOM 38 O O . LYS A 1 5 ? -3.839 -1.501 2.340 1.00 95.74 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -6.402 -3.455 2.850 1.00 95.43 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -7.285 -3.953 3.978 1.00 87.31 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -7.634 -5.420 3.787 1.00 81.99 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -6.509 -6.323 4.234 1.00 74.00 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -6.920 -7.747 4.156 1.00 65.98 5 A 1 ATOM 44 N N . ILE A 1 6 ? -5.425 -1.270 0.767 1.00 95.43 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -4.484 -0.833 -0.263 1.00 95.79 6 A 1 ATOM 46 C C . ILE A 1 6 ? -3.888 0.515 0.120 1.00 96.27 6 A 1 ATOM 47 O O . ILE A 1 6 ? -2.723 0.801 -0.160 1.00 96.02 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -5.180 -0.728 -1.631 1.00 95.74 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -5.985 -2.001 -1.936 1.00 91.47 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -4.144 -0.480 -2.732 1.00 90.51 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -5.132 -3.257 -1.942 1.00 82.59 6 A 1 ATOM 52 N N . ASN A 1 7 ? -4.699 1.334 0.767 1.00 96.94 7 A 1 ATOM 53 C CA . ASN A 1 7 ? -4.260 2.660 1.200 1.00 96.77 7 A 1 ATOM 54 C C . ASN A 1 7 ? -3.102 2.535 2.186 1.00 97.24 7 A 1 ATOM 55 O O . ASN A 1 7 ? -2.095 3.229 2.075 1.00 97.12 7 A 1 ATOM 56 C CB . ASN A 1 7 ? -5.427 3.401 1.848 1.00 96.02 7 A 1 ATOM 57 C CG . ASN A 1 7 ? -5.241 4.900 1.742 1.00 89.88 7 A 1 ATOM 58 O OD1 . ASN A 1 7 ? -4.234 5.443 2.143 1.00 81.99 7 A 1 ATOM 59 N ND2 . ASN A 1 7 ? -6.229 5.586 1.197 1.00 83.02 7 A 1 ATOM 60 N N . TYR A 1 8 ? -3.255 1.623 3.139 1.00 96.88 8 A 1 ATOM 61 C CA . TYR A 1 8 ? -2.204 1.404 4.128 1.00 97.24 8 A 1 ATOM 62 C C . TYR A 1 8 ? -0.941 0.863 3.468 1.00 97.36 8 A 1 ATOM 63 O O . TYR A 1 8 ? 0.173 1.268 3.808 1.00 96.95 8 A 1 ATOM 64 C CB . TYR A 1 8 ? -2.693 0.408 5.182 1.00 97.18 8 A 1 ATOM 65 C CG . TYR A 1 8 ? -3.191 1.108 6.426 1.00 96.16 8 A 1 ATOM 66 C CD1 . TYR A 1 8 ? -2.299 1.757 7.273 1.00 92.08 8 A 1 ATOM 67 C CD2 . TYR A 1 8 ? -4.543 1.110 6.744 1.00 93.23 8 A 1 ATOM 68 C CE1 . TYR A 1 8 ? -2.748 2.402 8.417 1.00 92.09 8 A 1 ATOM 69 C CE2 . TYR A 1 8 ? -5.001 1.755 7.889 1.00 92.57 8 A 1 ATOM 70 C CZ . TYR A 1 8 ? -4.095 2.395 8.721 1.00 93.82 8 A 1 ATOM 71 O OH . TYR A 1 8 ? -4.546 3.031 9.854 1.00 91.75 8 A 1 ATOM 72 N N . LEU A 1 9 ? -1.126 -0.054 2.522 1.00 97.22 9 A 1 ATOM 73 C CA . LEU A 1 9 ? 0.007 -0.629 1.801 1.00 97.44 9 A 1 ATOM 74 C C . LEU A 1 9 ? 0.738 0.448 1.002 1.00 97.73 9 A 1 ATOM 75 O O . LEU A 1 9 ? 1.967 0.494 0.988 1.00 97.75 9 A 1 ATOM 76 C CB . LEU A 1 9 ? -0.480 -1.732 0.858 1.00 97.52 9 A 1 ATOM 77 C CG . LEU A 1 9 ? 0.394 -2.983 0.912 1.00 93.54 9 A 1 ATOM 78 C CD1 . LEU A 1 9 ? -0.158 -3.960 1.935 1.00 88.20 9 A 1 ATOM 79 C CD2 . LEU A 1 9 ? 0.468 -3.638 -0.452 1.00 90.11 9 A 1 ATOM 80 N N . PHE A 1 10 ? -0.039 1.302 0.348 1.00 97.20 10 A 1 ATOM 81 C CA . PHE A 1 10 ? 0.525 2.387 -0.451 1.00 97.13 10 A 1 ATOM 82 C C . PHE A 1 10 ? 1.336 3.336 0.424 1.00 97.41 10 A 1 ATOM 83 O O . PHE A 1 10 ? 2.466 3.690 0.093 1.00 97.43 10 A 1 ATOM 84 C CB . PHE A 1 10 ? -0.603 3.154 -1.140 1.00 96.88 10 A 1 ATOM 85 C CG . PHE A 1 10 ? -0.448 3.173 -2.642 1.00 94.71 10 A 1 ATOM 86 C CD1 . PHE A 1 10 ? 0.497 3.991 -3.241 1.00 90.58 10 A 1 ATOM 87 C CD2 . PHE A 1 10 ? -1.252 2.366 -3.436 1.00 91.74 10 A 1 ATOM 88 C CE1 . PHE A 1 10 ? 0.643 4.009 -4.622 1.00 90.44 10 A 1 ATOM 89 C CE2 . PHE A 1 10 ? -1.112 2.381 -4.819 1.00 90.66 10 A 1 ATOM 90 C CZ . PHE A 1 10 ? -0.164 3.202 -5.414 1.00 91.32 10 A 1 ATOM 91 N N . ILE A 1 11 ? 0.757 3.722 1.538 1.00 97.48 11 A 1 ATOM 92 C CA . ILE A 1 11 ? 1.437 4.630 2.460 1.00 97.41 11 A 1 ATOM 93 C C . ILE A 1 11 ? 2.688 3.970 3.028 1.00 97.58 11 A 1 ATOM 94 O O . ILE A 1 11 ? 3.727 4.616 3.184 1.00 97.34 11 A 1 ATOM 95 C CB . ILE A 1 11 ? 0.491 5.043 3.595 1.00 97.07 11 A 1 ATOM 96 C CG1 . ILE A 1 11 ? -0.689 5.841 3.036 1.00 94.79 11 A 1 ATOM 97 C CG2 . ILE A 1 11 ? 1.240 5.888 4.624 1.00 93.61 11 A 1 ATOM 98 C CD1 . ILE A 1 11 ? -1.849 5.924 4.009 1.00 87.31 11 A 1 ATOM 99 N N . GLY A 1 12 ? 2.578 2.687 3.328 1.00 97.93 12 A 1 ATOM 100 C CA . GLY A 1 12 ? 3.714 1.948 3.868 1.00 97.85 12 A 1 ATOM 101 C C . GLY A 1 12 ? 4.876 1.904 2.894 1.00 98.14 12 A 1 ATOM 102 O O . GLY A 1 12 ? 6.020 2.155 3.263 1.00 97.91 12 A 1 ATOM 103 N N . ILE A 1 13 ? 4.569 1.576 1.645 1.00 97.62 13 A 1 ATOM 104 C CA . ILE A 1 13 ? 5.597 1.507 0.605 1.00 97.65 13 A 1 ATOM 105 C C . ILE A 1 13 ? 6.201 2.887 0.356 1.00 97.95 13 A 1 ATOM 106 O O . ILE A 1 13 ? 7.422 3.026 0.236 1.00 97.64 13 A 1 ATOM 107 C CB . ILE A 1 13 ? 5.004 0.943 -0.700 1.00 97.45 13 A 1 ATOM 108 C CG1 . ILE A 1 13 ? 4.542 -0.503 -0.490 1.00 96.00 13 A 1 ATOM 109 C CG2 . ILE A 1 13 ? 6.047 0.996 -1.819 1.00 95.03 13 A 1 ATOM 110 C CD1 . ILE A 1 13 ? 3.584 -0.976 -1.561 1.00 91.03 13 A 1 ATOM 111 N N . LEU A 1 14 ? 5.344 3.888 0.279 1.00 97.68 14 A 1 ATOM 112 C CA . LEU A 1 14 ? 5.799 5.259 0.052 1.00 97.53 14 A 1 ATOM 113 C C . LEU A 1 14 ? 6.663 5.738 1.212 1.00 97.86 14 A 1 ATOM 114 O O . LEU A 1 14 ? 7.698 6.370 1.007 1.00 97.76 14 A 1 ATOM 115 C CB . LEU A 1 14 ? 4.595 6.184 -0.117 1.00 97.01 14 A 1 ATOM 116 C CG . LEU A 1 14 ? 4.351 6.591 -1.567 1.00 92.30 14 A 1 ATOM 117 C CD1 . LEU A 1 14 ? 3.765 5.444 -2.361 1.00 89.12 14 A 1 ATOM 118 C CD2 . LEU A 1 14 ? 3.431 7.799 -1.611 1.00 90.17 14 A 1 ATOM 119 N N . ALA A 1 15 ? 6.232 5.425 2.416 1.00 98.00 15 A 1 ATOM 120 C CA . ALA A 1 15 ? 6.970 5.819 3.612 1.00 98.04 15 A 1 ATOM 121 C C . ALA A 1 15 ? 8.334 5.139 3.650 1.00 98.24 15 A 1 ATOM 122 O O . ALA A 1 15 ? 9.331 5.751 4.031 1.00 97.67 15 A 1 ATOM 123 C CB . ALA A 1 15 ? 6.164 5.457 4.854 1.00 97.61 15 A 1 ATOM 124 N N . LEU A 1 16 ? 8.362 3.872 3.249 1.00 97.84 16 A 1 ATOM 125 C CA . LEU A 1 16 ? 9.612 3.117 3.217 1.00 97.73 16 A 1 ATOM 126 C C . LEU A 1 16 ? 10.583 3.747 2.229 1.00 97.97 16 A 1 ATOM 127 O O . LEU A 1 16 ? 11.768 3.909 2.526 1.00 97.62 16 A 1 ATOM 128 C CB . LEU A 1 16 ? 9.333 1.665 2.823 1.00 97.40 16 A 1 ATOM 129 C CG . LEU A 1 16 ? 10.328 0.674 3.429 1.00 92.55 16 A 1 ATOM 130 C CD1 . LEU A 1 16 ? 9.815 0.180 4.773 1.00 88.46 16 A 1 ATOM 131 C CD2 . LEU A 1 16 ? 10.549 -0.497 2.494 1.00 89.89 16 A 1 ATOM 132 N N . LEU A 1 17 ? 10.072 4.082 1.060 1.00 98.05 17 A 1 ATOM 133 C CA . LEU A 1 17 ? 10.884 4.712 0.021 1.00 97.96 17 A 1 ATOM 134 C C . LEU A 1 17 ? 11.412 6.062 0.493 1.00 98.15 17 A 1 ATOM 135 O O . LEU A 1 17 ? 12.569 6.406 0.254 1.00 97.90 17 A 1 ATOM 136 C CB . LEU A 1 17 ? 10.049 4.888 -1.250 1.00 97.68 17 A 1 ATOM 137 C CG . LEU A 1 17 ? 10.652 4.196 -2.469 1.00 95.44 17 A 1 ATOM 138 C CD1 . LEU A 1 17 ? 10.344 2.708 -2.441 1.00 91.82 17 A 1 ATOM 139 C CD2 . LEU A 1 17 ? 10.112 4.820 -3.743 1.00 92.63 17 A 1 ATOM 140 N N . LEU A 1 18 ? 10.557 6.809 1.161 1.00 97.88 18 A 1 ATOM 141 C CA . LEU A 1 18 ? 10.930 8.126 1.673 1.00 97.70 18 A 1 ATOM 142 C C . LEU A 1 18 ? 12.005 8.006 2.747 1.00 97.83 18 A 1 ATOM 143 O O . LEU A 1 18 ? 12.935 8.811 2.801 1.00 97.29 18 A 1 ATOM 144 C CB . LEU A 1 18 ? 9.696 8.827 2.248 1.00 97.22 18 A 1 ATOM 145 C CG . LEU A 1 18 ? 9.784 10.346 2.156 1.00 94.11 18 A 1 ATOM 146 C CD1 . LEU A 1 18 ? 9.022 10.839 0.931 1.00 88.91 18 A 1 ATOM 147 C CD2 . LEU A 1 18 ? 9.224 10.987 3.410 1.00 89.48 18 A 1 ATOM 148 N N . ALA A 1 19 ? 11.875 7.002 3.589 1.00 97.93 19 A 1 ATOM 149 C CA . ALA A 1 19 ? 12.841 6.781 4.663 1.00 97.83 19 A 1 ATOM 150 C C . ALA A 1 19 ? 14.186 6.324 4.108 1.00 97.94 19 A 1 ATOM 151 O O . ALA A 1 19 ? 15.238 6.710 4.614 1.00 96.85 19 A 1 ATOM 152 C CB . ALA A 1 19 ? 12.292 5.747 5.638 1.00 97.13 19 A 1 ATOM 153 N N . VAL A 1 20 ? 14.132 5.485 3.079 1.00 96.60 20 A 1 ATOM 154 C CA . VAL A 1 20 ? 15.354 4.976 2.456 1.00 96.30 20 A 1 ATOM 155 C C . VAL A 1 20 ? 16.051 6.064 1.648 1.00 96.60 20 A 1 ATOM 156 O O . VAL A 1 20 ? 17.283 6.173 1.667 1.00 94.84 20 A 1 ATOM 157 C CB . VAL A 1 20 ? 15.043 3.770 1.552 1.00 94.89 20 A 1 ATOM 158 C CG1 . VAL A 1 20 ? 16.298 3.309 0.822 1.00 88.74 20 A 1 ATOM 159 C CG2 . VAL A 1 20 ? 14.487 2.621 2.378 1.00 88.06 20 A 1 ATOM 160 N N . ALA A 1 21 ? 15.261 6.853 0.938 1.00 94.21 21 A 1 ATOM 161 C CA . ALA A 1 21 ? 15.799 7.907 0.090 1.00 92.02 21 A 1 ATOM 162 C C . ALA A 1 21 ? 15.042 9.216 0.297 1.00 89.55 21 A 1 ATOM 163 O O . ALA A 1 21 ? 13.805 9.191 0.347 1.00 84.63 21 A 1 ATOM 164 C CB . ALA A 1 21 ? 15.729 7.487 -1.372 1.00 87.76 21 A 1 ATOM 165 O OXT . ALA A 1 21 ? 15.676 10.274 0.361 1.00 78.09 21 A 1 #