# 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_spkb18181 # _entry.id spkb18181 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "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 LYS 3 1 n GLU 4 1 n THR 5 1 n LEU 6 1 n ILE 7 1 n GLY 8 1 n LEU 9 1 n ALA 10 1 n PHE 11 1 n ILE 12 1 n THR 13 1 n ALA 14 1 n ASN 15 1 n VAL 16 1 n ILE 17 1 n ALA 18 # _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 12:13:08)" _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 93.88 _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 87.16 1 1 A ARG 2 2 85.96 1 2 A LYS 3 2 89.78 1 3 A GLU 4 2 92.22 1 4 A THR 5 2 95.00 1 5 A LEU 6 2 94.75 1 6 A ILE 7 2 95.71 1 7 A GLY 8 2 97.74 1 8 A LEU 9 2 95.21 1 9 A ALA 10 2 97.63 1 10 A PHE 11 2 95.48 1 11 A ILE 12 2 96.72 1 12 A THR 13 2 96.63 1 13 A ALA 14 2 98.14 1 14 A ASN 15 2 95.56 1 15 A VAL 16 2 96.53 1 16 A ILE 17 2 95.47 1 17 A ALA 18 2 92.67 1 18 # _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 LYS . 3 A 3 A 4 1 n GLU . 4 A 4 A 5 1 n THR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ASN . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -12.925 1.946 5.349 1.00 90.70 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.601 2.109 4.730 1.00 93.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.963 0.749 4.464 1.00 94.22 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.611 0.019 5.381 1.00 92.60 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.677 2.912 5.636 1.00 88.49 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.546 2.317 7.027 1.00 82.91 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.508 3.306 8.105 1.00 81.51 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.896 2.584 9.683 1.00 73.50 1 A 1 ATOM 9 N N . ARG A 1 2 ? -10.828 0.418 3.215 1.00 92.33 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -10.238 -0.849 2.811 1.00 95.69 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.540 -0.682 1.471 1.00 96.53 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.492 -1.269 1.226 1.00 95.98 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.319 -1.926 2.726 1.00 93.82 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -12.628 -1.379 2.211 1.00 87.52 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -13.788 -2.246 2.581 1.00 85.34 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -15.030 -1.535 2.301 1.00 79.15 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -15.795 -1.770 1.249 1.00 77.31 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -15.520 -2.769 0.428 1.00 72.59 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -16.829 -0.995 1.015 1.00 69.35 2 A 1 ATOM 20 N N . LYS A 1 3 ? -10.117 0.137 0.606 1.00 96.26 3 A 1 ATOM 21 C CA . LYS A 1 3 ? -9.531 0.430 -0.695 1.00 97.07 3 A 1 ATOM 22 C C . LYS A 1 3 ? -8.397 1.434 -0.538 1.00 97.35 3 A 1 ATOM 23 O O . LYS A 1 3 ? -7.368 1.332 -1.204 1.00 96.72 3 A 1 ATOM 24 C CB . LYS A 1 3 ? -10.601 0.977 -1.632 1.00 96.25 3 A 1 ATOM 25 C CG . LYS A 1 3 ? -11.295 2.208 -1.087 1.00 89.82 3 A 1 ATOM 26 C CD . LYS A 1 3 ? -12.494 2.570 -1.926 1.00 86.48 3 A 1 ATOM 27 C CE . LYS A 1 3 ? -13.097 3.884 -1.459 1.00 77.43 3 A 1 ATOM 28 N NZ . LYS A 1 3 ? -13.406 3.853 -0.009 1.00 70.67 3 A 1 ATOM 29 N N . GLU A 1 4 ? -8.580 2.397 0.363 1.00 96.49 4 A 1 ATOM 30 C CA . GLU A 1 4 ? -7.566 3.408 0.630 1.00 97.19 4 A 1 ATOM 31 C C . GLU A 1 4 ? -6.325 2.767 1.225 1.00 97.50 4 A 1 ATOM 32 O O . GLU A 1 4 ? -5.197 3.125 0.887 1.00 96.77 4 A 1 ATOM 33 C CB . GLU A 1 4 ? -8.122 4.443 1.597 1.00 96.54 4 A 1 ATOM 34 C CG . GLU A 1 4 ? -9.275 5.225 1.022 1.00 91.61 4 A 1 ATOM 35 C CD . GLU A 1 4 ? -10.372 5.390 2.034 1.00 87.96 4 A 1 ATOM 36 O OE1 . GLU A 1 4 ? -11.076 4.407 2.300 1.00 82.79 4 A 1 ATOM 37 O OE2 . GLU A 1 4 ? -10.509 6.494 2.576 1.00 83.13 4 A 1 ATOM 38 N N . THR A 1 5 ? -6.542 1.818 2.105 1.00 96.92 5 A 1 ATOM 39 C CA . THR A 1 5 ? -5.449 1.101 2.746 1.00 97.01 5 A 1 ATOM 40 C C . THR A 1 5 ? -4.645 0.324 1.710 1.00 97.54 5 A 1 ATOM 41 O O . THR A 1 5 ? -3.418 0.283 1.763 1.00 97.19 5 A 1 ATOM 42 C CB . THR A 1 5 ? -5.975 0.126 3.797 1.00 96.61 5 A 1 ATOM 43 O OG1 . THR A 1 5 ? -6.770 0.840 4.743 1.00 90.90 5 A 1 ATOM 44 C CG2 . THR A 1 5 ? -4.830 -0.558 4.508 1.00 88.84 5 A 1 ATOM 45 N N . LEU A 1 6 ? -5.336 -0.283 0.774 1.00 96.36 6 A 1 ATOM 46 C CA . LEU A 1 6 ? -4.687 -1.053 -0.280 1.00 96.86 6 A 1 ATOM 47 C C . LEU A 1 6 ? -3.813 -0.159 -1.147 1.00 97.41 6 A 1 ATOM 48 O O . LEU A 1 6 ? -2.690 -0.519 -1.494 1.00 97.41 6 A 1 ATOM 49 C CB . LEU A 1 6 ? -5.737 -1.741 -1.147 1.00 96.71 6 A 1 ATOM 50 C CG . LEU A 1 6 ? -6.526 -2.830 -0.424 1.00 92.51 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? -7.663 -3.326 -1.289 1.00 90.56 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? -5.606 -3.979 -0.049 1.00 90.15 6 A 1 ATOM 53 N N . ILE A 1 7 ? -4.327 0.994 -1.490 1.00 97.35 7 A 1 ATOM 54 C CA . ILE A 1 7 ? -3.598 1.949 -2.314 1.00 97.41 7 A 1 ATOM 55 C C . ILE A 1 7 ? -2.359 2.450 -1.585 1.00 97.68 7 A 1 ATOM 56 O O . ILE A 1 7 ? -1.264 2.484 -2.148 1.00 97.49 7 A 1 ATOM 57 C CB . ILE A 1 7 ? -4.495 3.131 -2.696 1.00 97.16 7 A 1 ATOM 58 C CG1 . ILE A 1 7 ? -5.672 2.643 -3.537 1.00 94.71 7 A 1 ATOM 59 C CG2 . ILE A 1 7 ? -3.691 4.177 -3.457 1.00 94.23 7 A 1 ATOM 60 C CD1 . ILE A 1 7 ? -6.721 3.703 -3.772 1.00 89.61 7 A 1 ATOM 61 N N . GLY A 1 8 ? -2.545 2.838 -0.327 1.00 97.47 8 A 1 ATOM 62 C CA . GLY A 1 8 ? -1.427 3.321 0.468 1.00 97.50 8 A 1 ATOM 63 C C . GLY A 1 8 ? -0.355 2.269 0.627 1.00 98.04 8 A 1 ATOM 64 O O . GLY A 1 8 ? 0.838 2.551 0.511 1.00 97.95 8 A 1 ATOM 65 N N . LEU A 1 9 ? -0.785 1.048 0.879 1.00 97.48 9 A 1 ATOM 66 C CA . LEU A 1 9 ? 0.140 -0.063 1.037 1.00 97.47 9 A 1 ATOM 67 C C . LEU A 1 9 ? 0.884 -0.328 -0.261 1.00 97.90 9 A 1 ATOM 68 O O . LEU A 1 9 ? 2.066 -0.675 -0.251 1.00 97.75 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -0.623 -1.320 1.455 1.00 97.01 9 A 1 ATOM 70 C CG . LEU A 1 9 ? 0.259 -2.540 1.686 1.00 92.40 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? 1.209 -2.293 2.837 1.00 90.80 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -0.595 -3.767 1.953 1.00 90.87 9 A 1 ATOM 73 N N . ALA A 1 10 ? 0.196 -0.174 -1.372 1.00 97.42 10 A 1 ATOM 74 C CA . ALA A 1 10 ? 0.795 -0.388 -2.682 1.00 97.64 10 A 1 ATOM 75 C C . ALA A 1 10 ? 1.965 0.558 -2.903 1.00 98.00 10 A 1 ATOM 76 O O . ALA A 1 10 ? 3.003 0.158 -3.430 1.00 97.80 10 A 1 ATOM 77 C CB . ALA A 1 10 ? -0.245 -0.194 -3.773 1.00 97.30 10 A 1 ATOM 78 N N . PHE A 1 11 ? 1.794 1.803 -2.495 1.00 98.13 11 A 1 ATOM 79 C CA . PHE A 1 11 ? 2.850 2.793 -2.641 1.00 98.18 11 A 1 ATOM 80 C C . PHE A 1 11 ? 4.067 2.417 -1.816 1.00 98.35 11 A 1 ATOM 81 O O . PHE A 1 11 ? 5.201 2.468 -2.295 1.00 98.04 11 A 1 ATOM 82 C CB . PHE A 1 11 ? 2.349 4.168 -2.210 1.00 97.84 11 A 1 ATOM 83 C CG . PHE A 1 11 ? 1.376 4.774 -3.184 1.00 95.65 11 A 1 ATOM 84 C CD1 . PHE A 1 11 ? 1.713 4.895 -4.519 1.00 93.40 11 A 1 ATOM 85 C CD2 . PHE A 1 11 ? 0.147 5.239 -2.759 1.00 93.70 11 A 1 ATOM 86 C CE1 . PHE A 1 11 ? 0.831 5.462 -5.423 1.00 92.61 11 A 1 ATOM 87 C CE2 . PHE A 1 11 ? -0.739 5.809 -3.657 1.00 92.15 11 A 1 ATOM 88 C CZ . PHE A 1 11 ? -0.396 5.917 -4.990 1.00 92.18 11 A 1 ATOM 89 N N . ILE A 1 12 ? 3.824 2.037 -0.576 1.00 97.97 12 A 1 ATOM 90 C CA . ILE A 1 12 ? 4.902 1.646 0.322 1.00 97.93 12 A 1 ATOM 91 C C . ILE A 1 12 ? 5.640 0.435 -0.236 1.00 98.16 12 A 1 ATOM 92 O O . ILE A 1 12 ? 6.873 0.398 -0.269 1.00 97.95 12 A 1 ATOM 93 C CB . ILE A 1 12 ? 4.359 1.322 1.718 1.00 97.68 12 A 1 ATOM 94 C CG1 . ILE A 1 12 ? 3.697 2.560 2.324 1.00 96.05 12 A 1 ATOM 95 C CG2 . ILE A 1 12 ? 5.485 0.822 2.618 1.00 95.84 12 A 1 ATOM 96 C CD1 . ILE A 1 12 ? 2.955 2.275 3.611 1.00 92.21 12 A 1 ATOM 97 N N . THR A 1 13 ? 4.880 -0.545 -0.672 1.00 98.17 13 A 1 ATOM 98 C CA . THR A 1 13 ? 5.458 -1.760 -1.234 1.00 98.08 13 A 1 ATOM 99 C C . THR A 1 13 ? 6.299 -1.429 -2.458 1.00 98.27 13 A 1 ATOM 100 O O . THR A 1 13 ? 7.401 -1.956 -2.634 1.00 98.03 13 A 1 ATOM 101 C CB . THR A 1 13 ? 4.358 -2.748 -1.631 1.00 97.51 13 A 1 ATOM 102 O OG1 . THR A 1 13 ? 3.558 -3.055 -0.494 1.00 93.29 13 A 1 ATOM 103 C CG2 . THR A 1 13 ? 4.963 -4.031 -2.175 1.00 93.06 13 A 1 ATOM 104 N N . ALA A 1 14 ? 5.788 -0.558 -3.301 1.00 98.26 14 A 1 ATOM 105 C CA . ALA A 1 14 ? 6.498 -0.149 -4.506 1.00 98.23 14 A 1 ATOM 106 C C . ALA A 1 14 ? 7.829 0.503 -4.160 1.00 98.41 14 A 1 ATOM 107 O O . ALA A 1 14 ? 8.835 0.272 -4.830 1.00 98.04 14 A 1 ATOM 108 C CB . ALA A 1 14 ? 5.646 0.810 -5.317 1.00 97.78 14 A 1 ATOM 109 N N . ASN A 1 15 ? 7.834 1.302 -3.110 1.00 97.99 15 A 1 ATOM 110 C CA . ASN A 1 15 ? 9.044 1.988 -2.676 1.00 98.00 15 A 1 ATOM 111 C C . ASN A 1 15 ? 10.101 0.996 -2.219 1.00 98.27 15 A 1 ATOM 112 O O . ASN A 1 15 ? 11.283 1.155 -2.511 1.00 97.87 15 A 1 ATOM 113 C CB . ASN A 1 15 ? 8.731 2.948 -1.529 1.00 97.41 15 A 1 ATOM 114 C CG . ASN A 1 15 ? 7.891 4.124 -1.981 1.00 94.58 15 A 1 ATOM 115 O OD1 . ASN A 1 15 ? 7.546 5.002 -1.189 1.00 90.28 15 A 1 ATOM 116 N ND2 . ASN A 1 15 ? 7.547 4.175 -3.260 1.00 90.05 15 A 1 ATOM 117 N N . VAL A 1 16 ? 9.670 -0.026 -1.507 1.00 97.54 16 A 1 ATOM 118 C CA . VAL A 1 16 ? 10.585 -1.048 -1.007 1.00 97.71 16 A 1 ATOM 119 C C . VAL A 1 16 ? 11.165 -1.871 -2.150 1.00 97.96 16 A 1 ATOM 120 O O . VAL A 1 16 ? 12.364 -2.161 -2.181 1.00 97.16 16 A 1 ATOM 121 C CB . VAL A 1 16 ? 9.880 -1.982 -0.016 1.00 96.93 16 A 1 ATOM 122 C CG1 . VAL A 1 16 ? 10.825 -3.079 0.448 1.00 93.79 16 A 1 ATOM 123 C CG2 . VAL A 1 16 ? 9.367 -1.196 1.172 1.00 94.62 16 A 1 ATOM 124 N N . ILE A 1 17 ? 10.304 -2.258 -3.073 1.00 97.63 17 A 1 ATOM 125 C CA . ILE A 1 17 ? 10.723 -3.073 -4.202 1.00 97.37 17 A 1 ATOM 126 C C . ILE A 1 17 ? 11.478 -2.257 -5.239 1.00 97.43 17 A 1 ATOM 127 O O . ILE A 1 17 ? 12.508 -2.687 -5.761 1.00 96.98 17 A 1 ATOM 128 C CB . ILE A 1 17 ? 9.512 -3.745 -4.864 1.00 96.87 17 A 1 ATOM 129 C CG1 . ILE A 1 17 ? 8.757 -4.614 -3.851 1.00 94.35 17 A 1 ATOM 130 C CG2 . ILE A 1 17 ? 9.960 -4.583 -6.057 1.00 93.49 17 A 1 ATOM 131 C CD1 . ILE A 1 17 ? 9.610 -5.709 -3.239 1.00 89.60 17 A 1 ATOM 132 N N . ALA A 1 18 ? 10.960 -1.097 -5.547 1.00 96.28 18 A 1 ATOM 133 C CA . ALA A 1 18 ? 11.553 -0.218 -6.548 1.00 95.19 18 A 1 ATOM 134 C C . ALA A 1 18 ? 12.805 0.449 -5.994 1.00 94.43 18 A 1 ATOM 135 O O . ALA A 1 18 ? 13.886 0.284 -6.590 1.00 91.72 18 A 1 ATOM 136 C CB . ALA A 1 18 ? 10.543 0.820 -7.007 1.00 92.66 18 A 1 ATOM 137 O OXT . ALA A 1 18 ? 12.698 1.160 -5.004 1.00 85.74 18 A 1 #