# 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_spkb23891 # _entry.id spkb23891 # 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 @ 2025-07-10 06:29:06)" _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 ? -14.578 -1.428 4.365 1.00 86.73 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.806 -0.869 3.227 1.00 89.70 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.585 -1.737 2.930 1.00 91.02 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.572 -1.636 3.611 1.00 84.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.338 0.539 3.548 1.00 82.69 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.464 1.415 4.052 1.00 76.79 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.951 3.118 4.217 1.00 71.07 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.288 3.388 5.947 1.00 63.64 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.702 -2.596 1.934 1.00 94.25 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.592 -3.477 1.559 1.00 94.77 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.472 -2.692 0.876 1.00 95.62 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.299 -3.039 1.003 1.00 94.40 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -12.100 -4.569 0.612 1.00 92.78 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -13.224 -5.411 1.209 1.00 84.56 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -12.706 -6.402 2.216 1.00 80.70 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -13.809 -7.330 2.690 1.00 73.53 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -13.978 -8.468 1.772 1.00 65.58 2 A 1 ATOM 18 N N . LYS A 1 3 ? -10.843 -1.651 0.152 1.00 94.91 3 A 1 ATOM 19 C CA . LYS A 1 3 ? -9.861 -0.830 -0.562 1.00 95.70 3 A 1 ATOM 20 C C . LYS A 1 3 ? -8.962 -0.067 0.405 1.00 96.31 3 A 1 ATOM 21 O O . LYS A 1 3 ? -7.862 0.346 0.036 1.00 95.28 3 A 1 ATOM 22 C CB . LYS A 1 3 ? -10.589 0.142 -1.484 1.00 94.04 3 A 1 ATOM 23 C CG . LYS A 1 3 ? -11.346 -0.571 -2.596 1.00 84.36 3 A 1 ATOM 24 C CD . LYS A 1 3 ? -10.403 -1.124 -3.643 1.00 81.06 3 A 1 ATOM 25 C CE . LYS A 1 3 ? -11.145 -1.928 -4.690 1.00 71.54 3 A 1 ATOM 26 N NZ . LYS A 1 3 ? -10.199 -2.683 -5.533 1.00 65.14 3 A 1 ATOM 27 N N . LEU A 1 4 ? -9.426 0.126 1.623 1.00 94.11 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -8.656 0.852 2.634 1.00 94.90 4 A 1 ATOM 29 C C . LEU A 1 4 ? -7.327 0.154 2.911 1.00 96.35 4 A 1 ATOM 30 O O . LEU A 1 4 ? -6.324 0.796 3.218 1.00 95.70 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -9.469 0.968 3.930 1.00 93.55 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -9.467 2.368 4.549 1.00 84.52 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -8.047 2.825 4.846 1.00 79.76 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -10.154 3.354 3.624 1.00 78.52 4 A 1 ATOM 35 N N . LYS A 1 5 ? -7.332 -1.175 2.785 1.00 94.93 5 A 1 ATOM 36 C CA . LYS A 1 5 ? -6.107 -1.949 3.023 1.00 96.05 5 A 1 ATOM 37 C C . LYS A 1 5 ? -5.025 -1.547 2.028 1.00 96.50 5 A 1 ATOM 38 O O . LYS A 1 5 ? -3.843 -1.492 2.372 1.00 95.74 5 A 1 ATOM 39 C CB . LYS A 1 5 ? -6.407 -3.440 2.900 1.00 95.43 5 A 1 ATOM 40 C CG . LYS A 1 5 ? -7.290 -3.929 4.031 1.00 87.31 5 A 1 ATOM 41 C CD . LYS A 1 5 ? -7.637 -5.398 3.853 1.00 81.99 5 A 1 ATOM 42 C CE . LYS A 1 5 ? -6.512 -6.295 4.314 1.00 74.00 5 A 1 ATOM 43 N NZ . LYS A 1 5 ? -6.922 -7.720 4.252 1.00 65.98 5 A 1 ATOM 44 N N . ILE A 1 6 ? -5.431 -1.270 0.799 1.00 95.43 6 A 1 ATOM 45 C CA . ILE A 1 6 ? -4.491 -0.842 -0.235 1.00 95.79 6 A 1 ATOM 46 C C . ILE A 1 6 ? -3.893 0.509 0.138 1.00 96.27 6 A 1 ATOM 47 O O . ILE A 1 6 ? -2.728 0.791 -0.146 1.00 96.02 6 A 1 ATOM 48 C CB . ILE A 1 6 ? -5.189 -0.744 -1.603 1.00 95.74 6 A 1 ATOM 49 C CG1 . ILE A 1 6 ? -5.995 -2.019 -1.898 1.00 91.47 6 A 1 ATOM 50 C CG2 . ILE A 1 6 ? -4.154 -0.505 -2.706 1.00 90.51 6 A 1 ATOM 51 C CD1 . ILE A 1 6 ? -5.143 -3.276 -1.896 1.00 82.59 6 A 1 ATOM 52 N N . ASN A 1 7 ? -4.701 1.334 0.780 1.00 96.94 7 A 1 ATOM 53 C CA . ASN A 1 7 ? -4.261 2.662 1.203 1.00 96.77 7 A 1 ATOM 54 C C . ASN A 1 7 ? -3.101 2.543 2.189 1.00 97.24 7 A 1 ATOM 55 O O . ASN A 1 7 ? -2.094 3.236 2.072 1.00 97.12 7 A 1 ATOM 56 C CB . ASN A 1 7 ? -5.426 3.409 1.849 1.00 96.02 7 A 1 ATOM 57 C CG . ASN A 1 7 ? -5.239 4.907 1.732 1.00 89.88 7 A 1 ATOM 58 O OD1 . ASN A 1 7 ? -4.234 5.452 2.135 1.00 81.99 7 A 1 ATOM 59 N ND2 . ASN A 1 7 ? -6.222 5.589 1.174 1.00 83.02 7 A 1 ATOM 60 N N . TYR A 1 8 ? -3.253 1.637 3.148 1.00 96.88 8 A 1 ATOM 61 C CA . TYR A 1 8 ? -2.201 1.423 4.137 1.00 97.24 8 A 1 ATOM 62 C C . TYR A 1 8 ? -0.940 0.878 3.479 1.00 97.36 8 A 1 ATOM 63 O O . TYR A 1 8 ? 0.176 1.285 3.814 1.00 96.95 8 A 1 ATOM 64 C CB . TYR A 1 8 ? -2.689 0.435 5.198 1.00 97.18 8 A 1 ATOM 65 C CG . TYR A 1 8 ? -3.183 1.143 6.440 1.00 96.16 8 A 1 ATOM 66 C CD1 . TYR A 1 8 ? -2.288 1.795 7.280 1.00 92.08 8 A 1 ATOM 67 C CD2 . TYR A 1 8 ? -4.534 1.150 6.759 1.00 93.23 8 A 1 ATOM 68 C CE1 . TYR A 1 8 ? -2.733 2.448 8.422 1.00 92.09 8 A 1 ATOM 69 C CE2 . TYR A 1 8 ? -4.988 1.802 7.902 1.00 92.57 8 A 1 ATOM 70 C CZ . TYR A 1 8 ? -4.080 2.445 8.729 1.00 93.82 8 A 1 ATOM 71 O OH . TYR A 1 8 ? -4.528 3.089 9.859 1.00 91.75 8 A 1 ATOM 72 N N . LEU A 1 9 ? -1.126 -0.046 2.540 1.00 97.22 9 A 1 ATOM 73 C CA . LEU A 1 9 ? 0.005 -0.627 1.820 1.00 97.44 9 A 1 ATOM 74 C C . LEU A 1 9 ? 0.735 0.444 1.012 1.00 97.73 9 A 1 ATOM 75 O O . LEU A 1 9 ? 1.965 0.489 0.995 1.00 97.75 9 A 1 ATOM 76 C CB . LEU A 1 9 ? -0.484 -1.737 0.887 1.00 97.52 9 A 1 ATOM 77 C CG . LEU A 1 9 ? 0.387 -2.989 0.951 1.00 93.54 9 A 1 ATOM 78 C CD1 . LEU A 1 9 ? -0.164 -3.953 1.987 1.00 88.20 9 A 1 ATOM 79 C CD2 . LEU A 1 9 ? 0.455 -3.658 -0.406 1.00 90.11 9 A 1 ATOM 80 N N . PHE A 1 10 ? -0.042 1.294 0.354 1.00 97.20 10 A 1 ATOM 81 C CA . PHE A 1 10 ? 0.520 2.374 -0.455 1.00 97.13 10 A 1 ATOM 82 C C . PHE A 1 10 ? 1.333 3.328 0.412 1.00 97.41 10 A 1 ATOM 83 O O . PHE A 1 10 ? 2.463 3.679 0.077 1.00 97.43 10 A 1 ATOM 84 C CB . PHE A 1 10 ? -0.609 3.136 -1.147 1.00 96.88 10 A 1 ATOM 85 C CG . PHE A 1 10 ? -0.451 3.153 -2.648 1.00 94.71 10 A 1 ATOM 86 C CD1 . PHE A 1 10 ? 0.492 3.971 -3.247 1.00 90.58 10 A 1 ATOM 87 C CD2 . PHE A 1 10 ? -1.252 2.341 -3.442 1.00 91.74 10 A 1 ATOM 88 C CE1 . PHE A 1 10 ? 0.641 3.988 -4.628 1.00 90.44 10 A 1 ATOM 89 C CE2 . PHE A 1 10 ? -1.110 2.354 -4.825 1.00 90.66 10 A 1 ATOM 90 C CZ . PHE A 1 10 ? -0.163 3.177 -5.421 1.00 91.32 10 A 1 ATOM 91 N N . ILE A 1 11 ? 0.757 3.723 1.524 1.00 97.48 11 A 1 ATOM 92 C CA . ILE A 1 11 ? 1.440 4.637 2.438 1.00 97.41 11 A 1 ATOM 93 C C . ILE A 1 11 ? 2.691 3.979 3.010 1.00 97.58 11 A 1 ATOM 94 O O . ILE A 1 11 ? 3.730 4.625 3.159 1.00 97.34 11 A 1 ATOM 95 C CB . ILE A 1 11 ? 0.496 5.060 3.572 1.00 97.07 11 A 1 ATOM 96 C CG1 . ILE A 1 11 ? -0.685 5.854 3.009 1.00 94.79 11 A 1 ATOM 97 C CG2 . ILE A 1 11 ? 1.247 5.912 4.594 1.00 93.61 11 A 1 ATOM 98 C CD1 . ILE A 1 11 ? -1.843 5.945 3.983 1.00 87.31 11 A 1 ATOM 99 N N . GLY A 1 12 ? 2.580 2.699 3.320 1.00 97.93 12 A 1 ATOM 100 C CA . GLY A 1 12 ? 3.716 1.963 3.864 1.00 97.85 12 A 1 ATOM 101 C C . GLY A 1 12 ? 4.877 1.910 2.889 1.00 98.14 12 A 1 ATOM 102 O O . GLY A 1 12 ? 6.021 2.163 3.255 1.00 97.91 12 A 1 ATOM 103 N N . ILE A 1 13 ? 4.567 1.573 1.642 1.00 97.62 13 A 1 ATOM 104 C CA . ILE A 1 13 ? 5.594 1.494 0.602 1.00 97.65 13 A 1 ATOM 105 C C . ILE A 1 13 ? 6.200 2.872 0.341 1.00 97.95 13 A 1 ATOM 106 O O . ILE A 1 13 ? 7.421 3.008 0.219 1.00 97.64 13 A 1 ATOM 107 C CB . ILE A 1 13 ? 4.999 0.921 -0.698 1.00 97.45 13 A 1 ATOM 108 C CG1 . ILE A 1 13 ? 4.535 -0.522 -0.477 1.00 96.00 13 A 1 ATOM 109 C CG2 . ILE A 1 13 ? 6.041 0.965 -1.819 1.00 95.03 13 A 1 ATOM 110 C CD1 . ILE A 1 13 ? 3.575 -1.002 -1.543 1.00 91.03 13 A 1 ATOM 111 N N . LEU A 1 14 ? 5.344 3.874 0.258 1.00 97.68 14 A 1 ATOM 112 C CA . LEU A 1 14 ? 5.801 5.242 0.019 1.00 97.53 14 A 1 ATOM 113 C C . LEU A 1 14 ? 6.666 5.729 1.175 1.00 97.86 14 A 1 ATOM 114 O O . LEU A 1 14 ? 7.702 6.359 0.964 1.00 97.76 14 A 1 ATOM 115 C CB . LEU A 1 14 ? 4.597 6.168 -0.157 1.00 97.01 14 A 1 ATOM 116 C CG . LEU A 1 14 ? 4.352 6.562 -1.609 1.00 92.30 14 A 1 ATOM 117 C CD1 . LEU A 1 14 ? 3.763 5.409 -2.393 1.00 89.12 14 A 1 ATOM 118 C CD2 . LEU A 1 14 ? 3.434 7.771 -1.663 1.00 90.17 14 A 1 ATOM 119 N N . ALA A 1 15 ? 6.235 5.427 2.382 1.00 98.00 15 A 1 ATOM 120 C CA . ALA A 1 15 ? 6.975 5.830 3.574 1.00 98.04 15 A 1 ATOM 121 C C . ALA A 1 15 ? 8.338 5.148 3.617 1.00 98.24 15 A 1 ATOM 122 O O . ALA A 1 15 ? 9.336 5.762 3.993 1.00 97.67 15 A 1 ATOM 123 C CB . ALA A 1 15 ? 6.169 5.480 4.820 1.00 97.61 15 A 1 ATOM 124 N N . LEU A 1 16 ? 8.364 3.877 3.226 1.00 97.84 16 A 1 ATOM 125 C CA . LEU A 1 16 ? 9.613 3.120 3.201 1.00 97.73 16 A 1 ATOM 126 C C . LEU A 1 16 ? 10.585 3.739 2.205 1.00 97.97 16 A 1 ATOM 127 O O . LEU A 1 16 ? 11.769 3.903 2.501 1.00 97.62 16 A 1 ATOM 128 C CB . LEU A 1 16 ? 9.331 1.665 2.819 1.00 97.40 16 A 1 ATOM 129 C CG . LEU A 1 16 ? 10.324 0.678 3.432 1.00 92.55 16 A 1 ATOM 130 C CD1 . LEU A 1 16 ? 9.812 0.196 4.781 1.00 88.46 16 A 1 ATOM 131 C CD2 . LEU A 1 16 ? 10.544 -0.502 2.507 1.00 89.89 16 A 1 ATOM 132 N N . LEU A 1 17 ? 10.073 4.066 1.034 1.00 98.05 17 A 1 ATOM 133 C CA . LEU A 1 17 ? 10.886 4.686 -0.010 1.00 97.96 17 A 1 ATOM 134 C C . LEU A 1 17 ? 11.416 6.038 0.450 1.00 98.15 17 A 1 ATOM 135 O O . LEU A 1 17 ? 12.574 6.379 0.207 1.00 97.90 17 A 1 ATOM 136 C CB . LEU A 1 17 ? 10.050 4.853 -1.282 1.00 97.68 17 A 1 ATOM 137 C CG . LEU A 1 17 ? 10.652 4.149 -2.496 1.00 95.44 17 A 1 ATOM 138 C CD1 . LEU A 1 17 ? 10.341 2.662 -2.456 1.00 91.82 17 A 1 ATOM 139 C CD2 . LEU A 1 17 ? 10.113 4.763 -3.775 1.00 92.63 17 A 1 ATOM 140 N N . LEU A 1 18 ? 10.563 6.793 1.112 1.00 97.88 18 A 1 ATOM 141 C CA . LEU A 1 18 ? 10.939 8.114 1.613 1.00 97.70 18 A 1 ATOM 142 C C . LEU A 1 18 ? 12.014 8.001 2.686 1.00 97.83 18 A 1 ATOM 143 O O . LEU A 1 18 ? 12.946 8.804 2.734 1.00 97.29 18 A 1 ATOM 144 C CB . LEU A 1 18 ? 9.706 8.822 2.182 1.00 97.22 18 A 1 ATOM 145 C CG . LEU A 1 18 ? 9.796 10.340 2.076 1.00 94.11 18 A 1 ATOM 146 C CD1 . LEU A 1 18 ? 9.034 10.822 0.846 1.00 88.91 18 A 1 ATOM 147 C CD2 . LEU A 1 18 ? 9.239 10.995 3.323 1.00 89.48 18 A 1 ATOM 148 N N . ALA A 1 19 ? 11.882 7.004 3.538 1.00 97.93 19 A 1 ATOM 149 C CA . ALA A 1 19 ? 12.849 6.791 4.614 1.00 97.83 19 A 1 ATOM 150 C C . ALA A 1 19 ? 14.192 6.327 4.062 1.00 97.94 19 A 1 ATOM 151 O O . ALA A 1 19 ? 15.246 6.715 4.564 1.00 96.85 19 A 1 ATOM 152 C CB . ALA A 1 19 ? 12.299 5.767 5.597 1.00 97.13 19 A 1 ATOM 153 N N . VAL A 1 20 ? 14.137 5.478 3.041 1.00 96.60 20 A 1 ATOM 154 C CA . VAL A 1 20 ? 15.358 4.961 2.422 1.00 96.30 20 A 1 ATOM 155 C C . VAL A 1 20 ? 16.056 6.041 1.604 1.00 96.60 20 A 1 ATOM 156 O O . VAL A 1 20 ? 17.288 6.148 1.621 1.00 94.84 20 A 1 ATOM 157 C CB . VAL A 1 20 ? 15.044 3.748 1.529 1.00 94.89 20 A 1 ATOM 158 C CG1 . VAL A 1 20 ? 16.298 3.278 0.803 1.00 88.74 20 A 1 ATOM 159 C CG2 . VAL A 1 20 ? 14.487 2.607 2.365 1.00 88.06 20 A 1 ATOM 160 N N . ALA A 1 21 ? 15.268 6.825 0.886 1.00 94.21 21 A 1 ATOM 161 C CA . ALA A 1 21 ? 15.807 7.869 0.028 1.00 92.02 21 A 1 ATOM 162 C C . ALA A 1 21 ? 15.054 9.182 0.224 1.00 89.55 21 A 1 ATOM 163 O O . ALA A 1 21 ? 13.816 9.160 0.279 1.00 84.63 21 A 1 ATOM 164 C CB . ALA A 1 21 ? 15.735 7.437 -1.431 1.00 87.76 21 A 1 ATOM 165 O OXT . ALA A 1 21 ? 15.689 10.240 0.276 1.00 78.09 21 A 1 #