# 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_spkb25124 # _entry.id spkb25124 # 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" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])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 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" "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 SER 2 1 n ALA 3 1 n GLN 4 1 n ARG 5 1 n PHE 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n LEU 10 1 n VAL 11 1 n VAL 12 1 n THR 13 1 n SER 14 1 n LEU 15 1 n ILE 16 1 n ALA 17 1 n ALA 18 1 n SER 19 1 n LEU 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 @ 2025-07-08 10:59:16)" _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 95.47 _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 84.36 1 1 A SER 2 2 93.84 1 2 A ALA 3 2 97.60 1 3 A GLN 4 2 93.06 1 4 A ARG 5 2 91.61 1 5 A PHE 6 2 95.79 1 6 A LEU 7 2 96.98 1 7 A PHE 8 2 96.77 1 8 A LEU 9 2 96.43 1 9 A LEU 10 2 96.83 1 10 A VAL 11 2 98.26 1 11 A VAL 12 2 98.22 1 12 A THR 13 2 97.32 1 13 A SER 14 2 97.63 1 14 A LEU 15 2 97.27 1 15 A ILE 16 2 97.69 1 16 A ALA 17 2 98.64 1 17 A ALA 18 2 98.59 1 18 A SER 19 2 97.10 1 19 A LEU 20 2 95.01 1 20 A ALA 21 2 90.42 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 SER . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ILE . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 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 ? -15.540 -0.012 4.850 1.00 91.85 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.400 0.293 3.968 1.00 91.80 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.424 -0.589 2.725 1.00 92.85 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.969 -1.691 2.750 1.00 90.33 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.077 0.075 4.697 1.00 86.26 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.914 1.011 5.887 1.00 79.41 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.368 0.729 6.767 1.00 75.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.494 1.982 8.030 1.00 67.25 1 A 1 ATOM 9 N N . SER A 1 2 ? -13.836 -0.109 1.639 1.00 94.40 2 A 1 ATOM 10 C CA . SER A 1 2 ? -13.802 -0.857 0.392 1.00 96.80 2 A 1 ATOM 11 C C . SER A 1 2 ? -12.448 -1.543 0.200 1.00 97.57 2 A 1 ATOM 12 O O . SER A 1 2 ? -11.491 -1.260 0.918 1.00 96.67 2 A 1 ATOM 13 C CB . SER A 1 2 ? -14.070 0.074 -0.785 1.00 94.14 2 A 1 ATOM 14 O OG . SER A 1 2 ? -15.342 0.683 -0.667 1.00 83.48 2 A 1 ATOM 15 N N . ALA A 1 3 ? -12.386 -2.435 -0.793 1.00 97.30 3 A 1 ATOM 16 C CA . ALA A 1 3 ? -11.145 -3.151 -1.088 1.00 97.85 3 A 1 ATOM 17 C C . ALA A 1 3 ? -10.050 -2.184 -1.525 1.00 98.14 3 A 1 ATOM 18 O O . ALA A 1 3 ? -8.862 -2.434 -1.317 1.00 97.70 3 A 1 ATOM 19 C CB . ALA A 1 3 ? -11.392 -4.186 -2.178 1.00 97.02 3 A 1 ATOM 20 N N . GLN A 1 4 ? -10.474 -1.071 -2.142 1.00 98.30 4 A 1 ATOM 21 C CA . GLN A 1 4 ? -9.522 -0.060 -2.595 1.00 98.32 4 A 1 ATOM 22 C C . GLN A 1 4 ? -8.716 0.484 -1.421 1.00 98.38 4 A 1 ATOM 23 O O . GLN A 1 4 ? -7.514 0.735 -1.535 1.00 97.75 4 A 1 ATOM 24 C CB . GLN A 1 4 ? -10.261 1.082 -3.292 1.00 97.83 4 A 1 ATOM 25 C CG . GLN A 1 4 ? -9.325 2.111 -3.911 1.00 92.71 4 A 1 ATOM 26 C CD . GLN A 1 4 ? -8.575 1.555 -5.112 1.00 90.11 4 A 1 ATOM 27 O OE1 . GLN A 1 4 ? -7.877 0.558 -5.009 1.00 82.83 4 A 1 ATOM 28 N NE2 . GLN A 1 4 ? -8.721 2.186 -6.260 1.00 81.34 4 A 1 ATOM 29 N N . ARG A 1 5 ? -9.377 0.678 -0.282 1.00 98.17 5 A 1 ATOM 30 C CA . ARG A 1 5 ? -8.707 1.165 0.922 1.00 98.39 5 A 1 ATOM 31 C C . ARG A 1 5 ? -7.645 0.170 1.375 1.00 98.54 5 A 1 ATOM 32 O O . ARG A 1 5 ? -6.546 0.555 1.774 1.00 98.26 5 A 1 ATOM 33 C CB . ARG A 1 5 ? -9.722 1.377 2.047 1.00 98.04 5 A 1 ATOM 34 C CG . ARG A 1 5 ? -10.559 2.635 1.866 1.00 94.63 5 A 1 ATOM 35 C CD . ARG A 1 5 ? -9.734 3.882 2.155 1.00 91.46 5 A 1 ATOM 36 N NE . ARG A 1 5 ? -10.547 5.096 2.168 1.00 87.11 5 A 1 ATOM 37 C CZ . ARG A 1 5 ? -10.091 6.295 2.492 1.00 85.04 5 A 1 ATOM 38 N NH1 . ARG A 1 5 ? -8.825 6.453 2.828 1.00 79.41 5 A 1 ATOM 39 N NH2 . ARG A 1 5 ? -10.901 7.340 2.484 1.00 78.66 5 A 1 ATOM 40 N N . PHE A 1 6 ? -7.983 -1.106 1.328 1.00 98.15 6 A 1 ATOM 41 C CA . PHE A 1 6 ? -7.044 -2.155 1.720 1.00 98.22 6 A 1 ATOM 42 C C . PHE A 1 6 ? -5.821 -2.142 0.809 1.00 98.42 6 A 1 ATOM 43 O O . PHE A 1 6 ? -4.687 -2.261 1.276 1.00 98.23 6 A 1 ATOM 44 C CB . PHE A 1 6 ? -7.726 -3.521 1.661 1.00 98.01 6 A 1 ATOM 45 C CG . PHE A 1 6 ? -6.794 -4.644 2.035 1.00 96.53 6 A 1 ATOM 46 C CD1 . PHE A 1 6 ? -6.447 -4.859 3.360 1.00 94.04 6 A 1 ATOM 47 C CD2 . PHE A 1 6 ? -6.264 -5.476 1.061 1.00 93.79 6 A 1 ATOM 48 C CE1 . PHE A 1 6 ? -5.581 -5.887 3.713 1.00 92.53 6 A 1 ATOM 49 C CE2 . PHE A 1 6 ? -5.393 -6.507 1.407 1.00 92.63 6 A 1 ATOM 50 C CZ . PHE A 1 6 ? -5.054 -6.710 2.734 1.00 93.14 6 A 1 ATOM 51 N N . LEU A 1 7 ? -6.063 -1.992 -0.493 1.00 98.46 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -4.970 -1.943 -1.464 1.00 98.55 7 A 1 ATOM 53 C C . LEU A 1 7 ? -4.052 -0.759 -1.177 1.00 98.61 7 A 1 ATOM 54 O O . LEU A 1 7 ? -2.825 -0.870 -1.230 1.00 98.50 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -5.533 -1.840 -2.890 1.00 98.44 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -5.439 -3.128 -3.703 1.00 96.01 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -3.979 -3.487 -3.950 1.00 93.54 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -6.142 -4.264 -2.977 1.00 93.71 7 A 1 ATOM 59 N N . PHE A 1 8 ? -4.663 0.383 -0.869 1.00 98.42 8 A 1 ATOM 60 C CA . PHE A 1 8 ? -3.910 1.592 -0.553 1.00 98.44 8 A 1 ATOM 61 C C . PHE A 1 8 ? -3.030 1.374 0.675 1.00 98.54 8 A 1 ATOM 62 O O . PHE A 1 8 ? -1.846 1.713 0.673 1.00 98.36 8 A 1 ATOM 63 C CB . PHE A 1 8 ? -4.873 2.753 -0.308 1.00 98.24 8 A 1 ATOM 64 C CG . PHE A 1 8 ? -4.172 4.000 0.178 1.00 97.16 8 A 1 ATOM 65 C CD1 . PHE A 1 8 ? -3.432 4.781 -0.699 1.00 95.62 8 A 1 ATOM 66 C CD2 . PHE A 1 8 ? -4.249 4.376 1.507 1.00 95.80 8 A 1 ATOM 67 C CE1 . PHE A 1 8 ? -2.778 5.927 -0.256 1.00 94.56 8 A 1 ATOM 68 C CE2 . PHE A 1 8 ? -3.592 5.521 1.961 1.00 94.51 8 A 1 ATOM 69 C CZ . PHE A 1 8 ? -2.857 6.296 1.079 1.00 94.86 8 A 1 ATOM 70 N N . LEU A 1 9 ? -3.607 0.816 1.725 1.00 98.46 9 A 1 ATOM 71 C CA . LEU A 1 9 ? -2.856 0.551 2.951 1.00 98.51 9 A 1 ATOM 72 C C . LEU A 1 9 ? -1.756 -0.477 2.701 1.00 98.59 9 A 1 ATOM 73 O O . LEU A 1 9 ? -0.661 -0.375 3.259 1.00 98.50 9 A 1 ATOM 74 C CB . LEU A 1 9 ? -3.805 0.044 4.042 1.00 98.38 9 A 1 ATOM 75 C CG . LEU A 1 9 ? -4.782 1.102 4.549 1.00 94.09 9 A 1 ATOM 76 C CD1 . LEU A 1 9 ? -5.847 0.464 5.430 1.00 92.15 9 A 1 ATOM 77 C CD2 . LEU A 1 9 ? -4.041 2.184 5.331 1.00 92.72 9 A 1 ATOM 78 N N . LEU A 1 10 ? -2.049 -1.458 1.879 1.00 98.55 10 A 1 ATOM 79 C CA . LEU A 1 10 ? -1.097 -2.517 1.560 1.00 98.55 10 A 1 ATOM 80 C C . LEU A 1 10 ? 0.128 -1.946 0.851 1.00 98.64 10 A 1 ATOM 81 O O . LEU A 1 10 ? 1.267 -2.221 1.235 1.00 98.51 10 A 1 ATOM 82 C CB . LEU A 1 10 ? -1.778 -3.579 0.681 1.00 98.39 10 A 1 ATOM 83 C CG . LEU A 1 10 ? -1.194 -4.991 0.812 1.00 94.85 10 A 1 ATOM 84 C CD1 . LEU A 1 10 ? 0.233 -5.062 0.300 1.00 93.29 10 A 1 ATOM 85 C CD2 . LEU A 1 10 ? -1.263 -5.446 2.267 1.00 93.82 10 A 1 ATOM 86 N N . VAL A 1 11 ? -0.109 -1.150 -0.185 1.00 98.69 11 A 1 ATOM 87 C CA . VAL A 1 11 ? 0.997 -0.581 -0.954 1.00 98.70 11 A 1 ATOM 88 C C . VAL A 1 11 ? 1.802 0.405 -0.115 1.00 98.76 11 A 1 ATOM 89 O O . VAL A 1 11 ? 3.035 0.422 -0.171 1.00 98.61 11 A 1 ATOM 90 C CB . VAL A 1 11 ? 0.480 0.108 -2.237 1.00 98.54 11 A 1 ATOM 91 C CG1 . VAL A 1 11 ? -0.415 1.296 -1.906 1.00 97.32 11 A 1 ATOM 92 C CG2 . VAL A 1 11 ? 1.655 0.558 -3.096 1.00 97.22 11 A 1 ATOM 93 N N . VAL A 1 12 ? 1.120 1.216 0.675 1.00 98.73 12 A 1 ATOM 94 C CA . VAL A 1 12 ? 1.801 2.186 1.531 1.00 98.72 12 A 1 ATOM 95 C C . VAL A 1 12 ? 2.656 1.472 2.569 1.00 98.78 12 A 1 ATOM 96 O O . VAL A 1 12 ? 3.823 1.817 2.778 1.00 98.64 12 A 1 ATOM 97 C CB . VAL A 1 12 ? 0.794 3.113 2.233 1.00 98.47 12 A 1 ATOM 98 C CG1 . VAL A 1 12 ? 1.492 3.972 3.284 1.00 97.03 12 A 1 ATOM 99 C CG2 . VAL A 1 12 ? 0.110 4.001 1.209 1.00 97.15 12 A 1 ATOM 100 N N . THR A 1 13 ? 2.077 0.487 3.226 1.00 98.63 13 A 1 ATOM 101 C CA . THR A 1 13 ? 2.802 -0.270 4.245 1.00 98.59 13 A 1 ATOM 102 C C . THR A 1 13 ? 4.024 -0.950 3.632 1.00 98.68 13 A 1 ATOM 103 O O . THR A 1 13 ? 5.090 -1.008 4.248 1.00 98.42 13 A 1 ATOM 104 C CB . THR A 1 13 ? 1.896 -1.332 4.882 1.00 98.20 13 A 1 ATOM 105 O OG1 . THR A 1 13 ? 0.764 -0.704 5.480 1.00 94.67 13 A 1 ATOM 106 C CG2 . THR A 1 13 ? 2.653 -2.096 5.964 1.00 94.04 13 A 1 ATOM 107 N N . SER A 1 14 ? 3.871 -1.453 2.420 1.00 98.68 14 A 1 ATOM 108 C CA . SER A 1 14 ? 4.972 -2.111 1.726 1.00 98.66 14 A 1 ATOM 109 C C . SER A 1 14 ? 6.114 -1.131 1.478 1.00 98.73 14 A 1 ATOM 110 O O . SER A 1 14 ? 7.283 -1.460 1.676 1.00 98.40 14 A 1 ATOM 111 C CB . SER A 1 14 ? 4.495 -2.695 0.399 1.00 98.35 14 A 1 ATOM 112 O OG . SER A 1 14 ? 5.547 -3.380 -0.237 1.00 92.94 14 A 1 ATOM 113 N N . LEU A 1 15 ? 5.768 0.077 1.054 1.00 98.76 15 A 1 ATOM 114 C CA . LEU A 1 15 ? 6.772 1.101 0.789 1.00 98.72 15 A 1 ATOM 115 C C . LEU A 1 15 ? 7.477 1.514 2.076 1.00 98.77 15 A 1 ATOM 116 O O . LEU A 1 15 ? 8.696 1.708 2.094 1.00 98.57 15 A 1 ATOM 117 C CB . LEU A 1 15 ? 6.114 2.321 0.143 1.00 98.54 15 A 1 ATOM 118 C CG . LEU A 1 15 ? 5.623 2.081 -1.282 1.00 96.23 15 A 1 ATOM 119 C CD1 . LEU A 1 15 ? 4.751 3.240 -1.747 1.00 94.13 15 A 1 ATOM 120 C CD2 . LEU A 1 15 ? 6.808 1.901 -2.226 1.00 94.45 15 A 1 ATOM 121 N N . ILE A 1 16 ? 6.717 1.657 3.146 1.00 98.72 16 A 1 ATOM 122 C CA . ILE A 1 16 ? 7.276 2.030 4.439 1.00 98.65 16 A 1 ATOM 123 C C . ILE A 1 16 ? 8.239 0.955 4.926 1.00 98.71 16 A 1 ATOM 124 O O . ILE A 1 16 ? 9.332 1.252 5.416 1.00 98.63 16 A 1 ATOM 125 C CB . ILE A 1 16 ? 6.159 2.250 5.478 1.00 98.44 16 A 1 ATOM 126 C CG1 . ILE A 1 16 ? 5.233 3.395 5.048 1.00 97.26 16 A 1 ATOM 127 C CG2 . ILE A 1 16 ? 6.770 2.549 6.848 1.00 97.15 16 A 1 ATOM 128 C CD1 . ILE A 1 16 ? 5.955 4.726 4.925 1.00 93.95 16 A 1 ATOM 129 N N . ALA A 1 17 ? 7.821 -0.291 4.809 1.00 98.79 17 A 1 ATOM 130 C CA . ALA A 1 17 ? 8.652 -1.410 5.242 1.00 98.73 17 A 1 ATOM 131 C C . ALA A 1 17 ? 9.944 -1.467 4.435 1.00 98.75 17 A 1 ATOM 132 O O . ALA A 1 17 ? 11.015 -1.742 4.977 1.00 98.47 17 A 1 ATOM 133 C CB . ALA A 1 17 ? 7.885 -2.718 5.089 1.00 98.47 17 A 1 ATOM 134 N N . ALA A 1 18 ? 9.845 -1.207 3.136 1.00 98.80 18 A 1 ATOM 135 C CA . ALA A 1 18 ? 11.015 -1.220 2.266 1.00 98.71 18 A 1 ATOM 136 C C . ALA A 1 18 ? 11.986 -0.108 2.648 1.00 98.73 18 A 1 ATOM 137 O O . ALA A 1 18 ? 13.201 -0.308 2.657 1.00 98.31 18 A 1 ATOM 138 C CB . ALA A 1 18 ? 10.585 -1.069 0.812 1.00 98.41 18 A 1 ATOM 139 N N . SER A 1 19 ? 11.452 1.063 2.959 1.00 98.63 19 A 1 ATOM 140 C CA . SER A 1 19 ? 12.272 2.201 3.360 1.00 98.49 19 A 1 ATOM 141 C C . SER A 1 19 ? 12.912 1.963 4.725 1.00 98.47 19 A 1 ATOM 142 O O . SER A 1 19 ? 14.045 2.382 4.972 1.00 97.52 19 A 1 ATOM 143 C CB . SER A 1 19 ? 11.427 3.471 3.407 1.00 97.95 19 A 1 ATOM 144 O OG . SER A 1 19 ? 12.235 4.584 3.721 1.00 91.54 19 A 1 ATOM 145 N N . LEU A 1 20 ? 12.187 1.302 5.603 1.00 98.09 20 A 1 ATOM 146 C CA . LEU A 1 20 ? 12.676 1.001 6.947 1.00 97.79 20 A 1 ATOM 147 C C . LEU A 1 20 ? 13.836 0.016 6.896 1.00 97.76 20 A 1 ATOM 148 O O . LEU A 1 20 ? 14.786 0.110 7.683 1.00 96.60 20 A 1 ATOM 149 C CB . LEU A 1 20 ? 11.534 0.448 7.809 1.00 96.94 20 A 1 ATOM 150 C CG . LEU A 1 20 ? 11.863 0.319 9.301 1.00 94.19 20 A 1 ATOM 151 C CD1 . LEU A 1 20 ? 10.604 0.467 10.138 1.00 90.19 20 A 1 ATOM 152 C CD2 . LEU A 1 20 ? 12.529 -1.014 9.599 1.00 88.49 20 A 1 ATOM 153 N N . ALA A 1 21 ? 13.763 -0.933 5.964 1.00 95.98 21 A 1 ATOM 154 C CA . ALA A 1 21 ? 14.800 -1.948 5.832 1.00 94.30 21 A 1 ATOM 155 C C . ALA A 1 21 ? 16.033 -1.373 5.137 1.00 92.23 21 A 1 ATOM 156 O O . ALA A 1 21 ? 15.887 -0.756 4.075 1.00 87.47 21 A 1 ATOM 157 C CB . ALA A 1 21 ? 14.271 -3.157 5.080 1.00 90.59 21 A 1 ATOM 158 O OXT . ALA A 1 21 ? 17.140 -1.551 5.645 1.00 81.92 21 A 1 #