# 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_spkb24444 # _entry.id spkb24444 # 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" "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 ARG 2 1 n SER 3 1 n PRO 4 1 n GLN 5 1 n SER 6 1 n ILE 7 1 n LEU 8 1 n ALA 9 1 n ILE 10 1 n VAL 11 1 n ALA 12 1 n PHE 13 1 n ALA 14 1 n THR 15 1 n THR 16 1 n ALA 17 1 n ILE 18 1 n ALA 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 @ 2025-07-04 00:42:46)" _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 94.88 _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 86.88 1 1 A ARG 2 2 83.61 1 2 A SER 3 2 93.98 1 3 A PRO 4 2 97.05 1 4 A GLN 5 2 93.93 1 5 A SER 6 2 96.82 1 6 A ILE 7 2 96.81 1 7 A LEU 8 2 96.84 1 8 A ALA 9 2 98.45 1 9 A ILE 10 2 96.67 1 10 A VAL 11 2 97.94 1 11 A ALA 12 2 98.50 1 12 A PHE 13 2 96.77 1 13 A ALA 14 2 98.54 1 14 A THR 15 2 96.89 1 15 A THR 16 2 96.88 1 16 A ALA 17 2 98.17 1 17 A ILE 18 2 94.96 1 18 A ALA 19 2 92.80 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 ARG . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n ALA . 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 ? -1.623 10.650 13.709 1.00 91.17 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.315 10.552 13.043 1.00 91.43 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.167 9.177 12.402 1.00 93.28 1 A 1 ATOM 4 O O . MET A 1 1 ? -0.085 8.171 13.100 1.00 90.83 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.813 10.767 14.052 1.00 87.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.795 12.163 14.648 1.00 85.52 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.098 12.383 15.885 1.00 82.74 1 A 1 ATOM 8 C CE . MET A 1 1 ? 1.794 14.065 16.359 1.00 72.05 1 A 1 ATOM 9 N N . ARG A 1 2 ? -0.147 9.131 11.070 1.00 87.38 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -0.032 7.871 10.343 1.00 91.27 2 A 1 ATOM 11 C C . ARG A 1 2 ? 1.387 7.676 9.832 1.00 94.12 2 A 1 ATOM 12 O O . ARG A 1 2 ? 1.985 8.600 9.287 1.00 92.09 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -1.019 7.858 9.176 1.00 88.09 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -2.454 7.925 9.650 1.00 83.43 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -3.399 8.114 8.486 1.00 83.14 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -3.421 6.937 7.623 1.00 78.36 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -4.055 6.888 6.463 1.00 77.28 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -4.708 7.932 6.006 1.00 71.58 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -4.031 5.777 5.748 1.00 72.99 2 A 1 ATOM 20 N N . SER A 1 3 ? 1.930 6.473 9.984 1.00 94.97 3 A 1 ATOM 21 C CA . SER A 1 3 ? 3.286 6.160 9.547 1.00 96.26 3 A 1 ATOM 22 C C . SER A 1 3 ? 3.315 5.867 8.045 1.00 97.31 3 A 1 ATOM 23 O O . SER A 1 3 ? 2.401 5.224 7.528 1.00 96.76 3 A 1 ATOM 24 C CB . SER A 1 3 ? 3.826 4.954 10.313 1.00 94.18 3 A 1 ATOM 25 O OG . SER A 1 3 ? 5.118 4.611 9.853 1.00 84.38 3 A 1 ATOM 26 N N . PRO A 1 4 ? 4.363 6.326 7.327 1.00 97.22 4 A 1 ATOM 27 C CA . PRO A 1 4 ? 4.488 6.086 5.887 1.00 97.67 4 A 1 ATOM 28 C C . PRO A 1 4 ? 4.605 4.602 5.566 1.00 98.20 4 A 1 ATOM 29 O O . PRO A 1 4 ? 4.133 4.141 4.524 1.00 97.79 4 A 1 ATOM 30 C CB . PRO A 1 4 ? 5.769 6.842 5.502 1.00 96.75 4 A 1 ATOM 31 C CG . PRO A 1 4 ? 6.544 6.964 6.775 1.00 95.42 4 A 1 ATOM 32 C CD . PRO A 1 4 ? 5.508 7.068 7.867 1.00 96.27 4 A 1 ATOM 33 N N . GLN A 1 5 ? 5.217 3.849 6.454 1.00 97.86 5 A 1 ATOM 34 C CA . GLN A 1 5 ? 5.389 2.413 6.272 1.00 97.95 5 A 1 ATOM 35 C C . GLN A 1 5 ? 4.035 1.710 6.294 1.00 98.28 5 A 1 ATOM 36 O O . GLN A 1 5 ? 3.787 0.795 5.506 1.00 97.86 5 A 1 ATOM 37 C CB . GLN A 1 5 ? 6.287 1.853 7.373 1.00 97.24 5 A 1 ATOM 38 C CG . GLN A 1 5 ? 7.721 2.359 7.277 1.00 93.63 5 A 1 ATOM 39 C CD . GLN A 1 5 ? 8.586 1.863 8.422 1.00 92.00 5 A 1 ATOM 40 O OE1 . GLN A 1 5 ? 8.076 1.429 9.447 1.00 85.74 5 A 1 ATOM 41 N NE2 . GLN A 1 5 ? 9.898 1.920 8.266 1.00 84.83 5 A 1 ATOM 42 N N . SER A 1 6 ? 3.161 2.146 7.182 1.00 98.08 6 A 1 ATOM 43 C CA . SER A 1 6 ? 1.829 1.565 7.298 1.00 98.23 6 A 1 ATOM 44 C C . SER A 1 6 ? 1.012 1.836 6.039 1.00 98.43 6 A 1 ATOM 45 O O . SER A 1 6 ? 0.344 0.950 5.512 1.00 98.14 6 A 1 ATOM 46 C CB . SER A 1 6 ? 1.108 2.132 8.519 1.00 97.73 6 A 1 ATOM 47 O OG . SER A 1 6 ? 1.829 1.829 9.701 1.00 90.32 6 A 1 ATOM 48 N N . ILE A 1 7 ? 1.081 3.070 5.543 1.00 98.04 7 A 1 ATOM 49 C CA . ILE A 1 7 ? 0.358 3.460 4.340 1.00 98.07 7 A 1 ATOM 50 C C . ILE A 1 7 ? 0.868 2.678 3.134 1.00 98.30 7 A 1 ATOM 51 O O . ILE A 1 7 ? 0.083 2.175 2.328 1.00 98.10 7 A 1 ATOM 52 C CB . ILE A 1 7 ? 0.494 4.970 4.088 1.00 97.96 7 A 1 ATOM 53 C CG1 . ILE A 1 7 ? -0.141 5.753 5.245 1.00 96.41 7 A 1 ATOM 54 C CG2 . ILE A 1 7 ? -0.166 5.351 2.765 1.00 95.90 7 A 1 ATOM 55 C CD1 . ILE A 1 7 ? 0.175 7.236 5.197 1.00 91.69 7 A 1 ATOM 56 N N . LEU A 1 8 ? 2.176 2.575 3.007 1.00 98.28 8 A 1 ATOM 57 C CA . LEU A 1 8 ? 2.788 1.855 1.898 1.00 98.28 8 A 1 ATOM 58 C C . LEU A 1 8 ? 2.353 0.394 1.893 1.00 98.40 8 A 1 ATOM 59 O O . LEU A 1 8 ? 2.055 -0.171 0.838 1.00 98.30 8 A 1 ATOM 60 C CB . LEU A 1 8 ? 4.314 1.939 2.000 1.00 98.07 8 A 1 ATOM 61 C CG . LEU A 1 8 ? 5.052 1.300 0.833 1.00 96.02 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? 4.767 2.055 -0.457 1.00 93.76 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? 6.547 1.262 1.103 1.00 93.60 8 A 1 ATOM 64 N N . ALA A 1 9 ? 2.321 -0.218 3.064 1.00 98.47 9 A 1 ATOM 65 C CA . ALA A 1 9 ? 1.922 -1.614 3.198 1.00 98.50 9 A 1 ATOM 66 C C . ALA A 1 9 ? 0.465 -1.813 2.786 1.00 98.60 9 A 1 ATOM 67 O O . ALA A 1 9 ? 0.131 -2.775 2.095 1.00 98.38 9 A 1 ATOM 68 C CB . ALA A 1 9 ? 2.132 -2.073 4.636 1.00 98.29 9 A 1 ATOM 69 N N . ILE A 1 10 ? -0.396 -0.900 3.204 1.00 98.37 10 A 1 ATOM 70 C CA . ILE A 1 10 ? -1.817 -0.979 2.886 1.00 98.28 10 A 1 ATOM 71 C C . ILE A 1 10 ? -2.038 -0.829 1.384 1.00 98.46 10 A 1 ATOM 72 O O . ILE A 1 10 ? -2.789 -1.598 0.776 1.00 98.22 10 A 1 ATOM 73 C CB . ILE A 1 10 ? -2.607 0.100 3.649 1.00 97.95 10 A 1 ATOM 74 C CG1 . ILE A 1 10 ? -2.544 -0.172 5.158 1.00 96.07 10 A 1 ATOM 75 C CG2 . ILE A 1 10 ? -4.061 0.128 3.184 1.00 95.51 10 A 1 ATOM 76 C CD1 . ILE A 1 10 ? -3.016 1.003 5.994 1.00 90.49 10 A 1 ATOM 77 N N . VAL A 1 11 ? -1.395 0.163 0.781 1.00 98.47 11 A 1 ATOM 78 C CA . VAL A 1 11 ? -1.534 0.412 -0.650 1.00 98.46 11 A 1 ATOM 79 C C . VAL A 1 11 ? -1.013 -0.771 -1.457 1.00 98.58 11 A 1 ATOM 80 O O . VAL A 1 11 ? -1.662 -1.229 -2.402 1.00 98.47 11 A 1 ATOM 81 C CB . VAL A 1 11 ? -0.789 1.690 -1.059 1.00 98.10 11 A 1 ATOM 82 C CG1 . VAL A 1 11 ? -0.823 1.875 -2.569 1.00 96.70 11 A 1 ATOM 83 C CG2 . VAL A 1 11 ? -1.404 2.898 -0.374 1.00 96.77 11 A 1 ATOM 84 N N . ALA A 1 12 ? 0.162 -1.266 -1.094 1.00 98.57 12 A 1 ATOM 85 C CA . ALA A 1 12 ? 0.764 -2.399 -1.786 1.00 98.55 12 A 1 ATOM 86 C C . ALA A 1 12 ? -0.102 -3.646 -1.659 1.00 98.65 12 A 1 ATOM 87 O O . ALA A 1 12 ? -0.278 -4.394 -2.620 1.00 98.43 12 A 1 ATOM 88 C CB . ALA A 1 12 ? 2.154 -2.669 -1.221 1.00 98.28 12 A 1 ATOM 89 N N . PHE A 1 13 ? -0.647 -3.865 -0.484 1.00 98.50 13 A 1 ATOM 90 C CA . PHE A 1 13 ? -1.496 -5.018 -0.227 1.00 98.45 13 A 1 ATOM 91 C C . PHE A 1 13 ? -2.758 -4.961 -1.075 1.00 98.60 13 A 1 ATOM 92 O O . PHE A 1 13 ? -3.154 -5.955 -1.686 1.00 98.33 13 A 1 ATOM 93 C CB . PHE A 1 13 ? -1.862 -5.072 1.255 1.00 98.12 13 A 1 ATOM 94 C CG . PHE A 1 13 ? -2.643 -6.303 1.625 1.00 97.33 13 A 1 ATOM 95 C CD1 . PHE A 1 13 ? -1.997 -7.520 1.784 1.00 96.00 13 A 1 ATOM 96 C CD2 . PHE A 1 13 ? -4.009 -6.237 1.819 1.00 95.90 13 A 1 ATOM 97 C CE1 . PHE A 1 13 ? -2.705 -8.662 2.122 1.00 94.48 13 A 1 ATOM 98 C CE2 . PHE A 1 13 ? -4.733 -7.377 2.156 1.00 94.31 13 A 1 ATOM 99 C CZ . PHE A 1 13 ? -4.080 -8.592 2.306 1.00 94.40 13 A 1 ATOM 100 N N . ALA A 1 14 ? -3.384 -3.787 -1.121 1.00 98.64 14 A 1 ATOM 101 C CA . ALA A 1 14 ? -4.602 -3.604 -1.899 1.00 98.60 14 A 1 ATOM 102 C C . ALA A 1 14 ? -4.331 -3.780 -3.389 1.00 98.70 14 A 1 ATOM 103 O O . ALA A 1 14 ? -5.103 -4.432 -4.095 1.00 98.45 14 A 1 ATOM 104 C CB . ALA A 1 14 ? -5.191 -2.225 -1.625 1.00 98.31 14 A 1 ATOM 105 N N . THR A 1 15 ? -3.237 -3.207 -3.873 1.00 98.66 15 A 1 ATOM 106 C CA . THR A 1 15 ? -2.871 -3.294 -5.284 1.00 98.56 15 A 1 ATOM 107 C C . THR A 1 15 ? -2.572 -4.736 -5.678 1.00 98.65 15 A 1 ATOM 108 O O . THR A 1 15 ? -3.006 -5.204 -6.731 1.00 98.26 15 A 1 ATOM 109 C CB . THR A 1 15 ? -1.648 -2.428 -5.578 1.00 98.03 15 A 1 ATOM 110 O OG1 . THR A 1 15 ? -1.912 -1.077 -5.203 1.00 93.11 15 A 1 ATOM 111 C CG2 . THR A 1 15 ? -1.310 -2.471 -7.059 1.00 92.95 15 A 1 ATOM 112 N N . THR A 1 16 ? -1.842 -5.443 -4.836 1.00 98.74 16 A 1 ATOM 113 C CA . THR A 1 16 ? -1.491 -6.834 -5.097 1.00 98.62 16 A 1 ATOM 114 C C . THR A 1 16 ? -2.738 -7.709 -5.139 1.00 98.68 16 A 1 ATOM 115 O O . THR A 1 16 ? -2.836 -8.626 -5.952 1.00 98.16 16 A 1 ATOM 116 C CB . THR A 1 16 ? -0.545 -7.365 -4.020 1.00 98.08 16 A 1 ATOM 117 O OG1 . THR A 1 16 ? 0.642 -6.576 -3.995 1.00 93.30 16 A 1 ATOM 118 C CG2 . THR A 1 16 ? -0.172 -8.811 -4.297 1.00 92.61 16 A 1 ATOM 119 N N . ALA A 1 17 ? -3.697 -7.417 -4.271 1.00 98.45 17 A 1 ATOM 120 C CA . ALA A 1 17 ? -4.939 -8.178 -4.216 1.00 98.35 17 A 1 ATOM 121 C C . ALA A 1 17 ? -5.729 -8.034 -5.514 1.00 98.44 17 A 1 ATOM 122 O O . ALA A 1 17 ? -6.422 -8.963 -5.933 1.00 97.83 17 A 1 ATOM 123 C CB . ALA A 1 17 ? -5.783 -7.712 -3.033 1.00 97.80 17 A 1 ATOM 124 N N . ILE A 1 18 ? -5.631 -6.861 -6.152 1.00 98.03 18 A 1 ATOM 125 C CA . ILE A 1 18 ? -6.347 -6.596 -7.393 1.00 97.63 18 A 1 ATOM 126 C C . ILE A 1 18 ? -5.619 -7.192 -8.595 1.00 97.87 18 A 1 ATOM 127 O O . ILE A 1 18 ? -6.231 -7.842 -9.446 1.00 97.07 18 A 1 ATOM 128 C CB . ILE A 1 18 ? -6.547 -5.085 -7.590 1.00 96.54 18 A 1 ATOM 129 C CG1 . ILE A 1 18 ? -7.425 -4.523 -6.469 1.00 93.10 18 A 1 ATOM 130 C CG2 . ILE A 1 18 ? -7.191 -4.809 -8.949 1.00 91.92 18 A 1 ATOM 131 C CD1 . ILE A 1 18 ? -7.451 -3.001 -6.442 1.00 87.50 18 A 1 ATOM 132 N N . ALA A 1 19 ? -4.309 -6.960 -8.658 1.00 96.66 19 A 1 ATOM 133 C CA . ALA A 1 19 ? -3.501 -7.426 -9.781 1.00 95.44 19 A 1 ATOM 134 C C . ALA A 1 19 ? -2.171 -7.970 -9.293 1.00 94.41 19 A 1 ATOM 135 O O . ALA A 1 19 ? -1.792 -9.083 -9.698 1.00 91.47 19 A 1 ATOM 136 C CB . ALA A 1 19 ? -3.281 -6.287 -10.772 1.00 92.79 19 A 1 ATOM 137 O OXT . ALA A 1 19 ? -1.507 -7.283 -8.534 1.00 86.05 19 A 1 #