# 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_spkb28721 # _entry.id spkb28721 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 LEU 3 1 n LEU 4 1 n ALA 5 1 n GLY 6 1 n TRP 7 1 n LEU 8 1 n CYS 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n ALA 13 1 n SER 14 1 n VAL 15 1 n TRP 16 1 n LEU 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 @ 2025-07-12 11:38:39)" _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 93.08 _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 86.35 1 1 A ARG 2 2 82.56 1 2 A LEU 3 2 92.24 1 3 A LEU 4 2 92.91 1 4 A ALA 5 2 96.30 1 5 A GLY 6 2 97.68 1 6 A TRP 7 2 92.59 1 7 A LEU 8 2 94.99 1 8 A CYS 9 2 96.60 1 9 A LEU 10 2 95.32 1 10 A SER 11 2 96.44 1 11 A LEU 12 2 95.10 1 12 A ALA 13 2 97.48 1 13 A SER 14 2 96.60 1 14 A VAL 15 2 96.50 1 15 A TRP 16 2 93.80 1 16 A LEU 17 2 93.16 1 17 A ALA 18 2 90.01 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 LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n TRP . 16 A 16 A 17 1 n LEU . 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 ? -14.731 -1.664 0.495 1.00 92.00 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.595 -0.734 0.669 1.00 92.60 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.279 -1.469 0.948 1.00 93.92 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.384 -0.923 1.570 1.00 90.93 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.895 0.211 1.826 1.00 89.24 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.111 1.070 1.556 1.00 83.59 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.374 2.264 2.873 1.00 79.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.776 1.535 3.681 1.00 68.62 1 A 1 ATOM 9 N N . ARG A 1 2 ? -12.175 -2.703 0.501 1.00 89.88 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -10.958 -3.494 0.753 1.00 92.62 2 A 1 ATOM 11 C C . ARG A 1 2 ? -9.897 -3.247 -0.311 1.00 95.16 2 A 1 ATOM 12 O O . ARG A 1 2 ? -8.706 -3.281 -0.019 1.00 93.12 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.319 -4.980 0.798 1.00 89.23 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -12.054 -5.301 2.090 1.00 83.18 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -12.060 -6.795 2.328 1.00 81.86 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -12.519 -7.087 3.679 1.00 75.94 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -12.508 -8.298 4.209 1.00 74.32 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -12.108 -9.347 3.516 1.00 66.03 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -12.902 -8.458 5.451 1.00 66.82 2 A 1 ATOM 20 N N . LEU A 1 3 ? -10.304 -2.965 -1.528 1.00 93.10 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -9.361 -2.711 -2.623 1.00 94.69 3 A 1 ATOM 22 C C . LEU A 1 3 ? -8.596 -1.407 -2.395 1.00 96.45 3 A 1 ATOM 23 O O . LEU A 1 3 ? -7.397 -1.331 -2.658 1.00 95.40 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -10.138 -2.658 -3.940 1.00 93.78 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -10.621 -4.040 -4.377 1.00 91.74 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -11.757 -3.900 -5.385 1.00 87.35 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -9.471 -4.818 -5.016 1.00 85.41 3 A 1 ATOM 28 N N . LEU A 1 4 ? -9.276 -0.389 -1.886 1.00 93.97 4 A 1 ATOM 29 C CA . LEU A 1 4 ? -8.635 0.902 -1.608 1.00 94.93 4 A 1 ATOM 30 C C . LEU A 1 4 ? -7.606 0.775 -0.488 1.00 96.30 4 A 1 ATOM 31 O O . LEU A 1 4 ? -6.520 1.342 -0.572 1.00 96.12 4 A 1 ATOM 32 C CB . LEU A 1 4 ? -9.715 1.920 -1.228 1.00 94.84 4 A 1 ATOM 33 C CG . LEU A 1 4 ? -10.274 2.653 -2.445 1.00 92.21 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? -11.596 3.318 -2.099 1.00 87.54 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? -9.283 3.710 -2.915 1.00 87.39 4 A 1 ATOM 36 N N . ALA A 1 5 ? -7.938 0.040 0.554 1.00 96.11 5 A 1 ATOM 37 C CA . ALA A 1 5 ? -7.028 -0.153 1.686 1.00 96.55 5 A 1 ATOM 38 C C . ALA A 1 5 ? -5.755 -0.880 1.244 1.00 97.00 5 A 1 ATOM 39 O O . ALA A 1 5 ? -4.655 -0.527 1.659 1.00 96.28 5 A 1 ATOM 40 C CB . ALA A 1 5 ? -7.750 -0.935 2.776 1.00 95.57 5 A 1 ATOM 41 N N . GLY A 1 6 ? -5.905 -1.883 0.405 1.00 97.62 6 A 1 ATOM 42 C CA . GLY A 1 6 ? -4.755 -2.633 -0.108 1.00 97.55 6 A 1 ATOM 43 C C . GLY A 1 6 ? -3.874 -1.782 -1.009 1.00 97.91 6 A 1 ATOM 44 O O . GLY A 1 6 ? -2.647 -1.846 -0.933 1.00 97.62 6 A 1 ATOM 45 N N . TRP A 1 7 ? -4.502 -0.958 -1.860 1.00 96.67 7 A 1 ATOM 46 C CA . TRP A 1 7 ? -3.766 -0.084 -2.775 1.00 96.69 7 A 1 ATOM 47 C C . TRP A 1 7 ? -2.981 0.979 -2.014 1.00 97.25 7 A 1 ATOM 48 O O . TRP A 1 7 ? -1.828 1.255 -2.334 1.00 96.97 7 A 1 ATOM 49 C CB . TRP A 1 7 ? -4.745 0.566 -3.749 1.00 96.40 7 A 1 ATOM 50 C CG . TRP A 1 7 ? -4.508 0.076 -5.136 1.00 93.97 7 A 1 ATOM 51 C CD1 . TRP A 1 7 ? -5.263 -0.828 -5.806 1.00 89.83 7 A 1 ATOM 52 C CD2 . TRP A 1 7 ? -3.433 0.465 -6.029 1.00 92.80 7 A 1 ATOM 53 N NE1 . TRP A 1 7 ? -4.725 -1.029 -7.067 1.00 88.79 7 A 1 ATOM 54 C CE2 . TRP A 1 7 ? -3.602 -0.250 -7.229 1.00 92.10 7 A 1 ATOM 55 C CE3 . TRP A 1 7 ? -2.359 1.347 -5.925 1.00 89.92 7 A 1 ATOM 56 C CZ2 . TRP A 1 7 ? -2.722 -0.099 -8.312 1.00 90.66 7 A 1 ATOM 57 C CZ3 . TRP A 1 7 ? -1.482 1.500 -7.003 1.00 86.64 7 A 1 ATOM 58 C CH2 . TRP A 1 7 ? -1.670 0.778 -8.178 1.00 87.55 7 A 1 ATOM 59 N N . LEU A 1 8 ? -3.587 1.558 -0.991 1.00 97.00 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -2.918 2.580 -0.179 1.00 96.99 8 A 1 ATOM 61 C C . LEU A 1 8 ? -1.691 2.002 0.522 1.00 97.36 8 A 1 ATOM 62 O O . LEU A 1 8 ? -0.631 2.626 0.537 1.00 97.17 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -3.916 3.124 0.847 1.00 96.98 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -4.761 4.264 0.276 1.00 94.23 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -6.058 4.410 1.057 1.00 89.95 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -3.977 5.570 0.342 1.00 90.26 8 A 1 ATOM 67 N N . CYS A 1 9 ? -1.814 0.822 1.084 1.00 97.68 9 A 1 ATOM 68 C CA . CYS A 1 9 ? -0.697 0.163 1.761 1.00 97.67 9 A 1 ATOM 69 C C . CYS A 1 9 ? 0.409 -0.197 0.766 1.00 97.73 9 A 1 ATOM 70 O O . CYS A 1 9 ? 1.588 -0.025 1.059 1.00 97.21 9 A 1 ATOM 71 C CB . CYS A 1 9 ? -1.207 -1.091 2.464 1.00 97.26 9 A 1 ATOM 72 S SG . CYS A 1 9 ? -1.984 -0.683 4.052 1.00 92.03 9 A 1 ATOM 73 N N . LEU A 1 10 ? 0.029 -0.675 -0.404 1.00 97.44 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 0.996 -1.046 -1.439 1.00 97.26 10 A 1 ATOM 75 C C . LEU A 1 10 ? 1.755 0.173 -1.946 1.00 97.57 10 A 1 ATOM 76 O O . LEU A 1 10 ? 2.974 0.122 -2.121 1.00 97.28 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 0.246 -1.725 -2.585 1.00 97.15 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 0.312 -3.244 -2.490 1.00 94.15 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? -0.903 -3.876 -3.158 1.00 90.59 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 1.585 -3.745 -3.159 1.00 91.10 10 A 1 ATOM 81 N N . SER A 1 11 ? 1.056 1.271 -2.163 1.00 97.80 11 A 1 ATOM 82 C CA . SER A 1 11 ? 1.673 2.504 -2.648 1.00 97.74 11 A 1 ATOM 83 C C . SER A 1 11 ? 2.670 3.049 -1.627 1.00 97.93 11 A 1 ATOM 84 O O . SER A 1 11 ? 3.782 3.436 -1.982 1.00 97.47 11 A 1 ATOM 85 C CB . SER A 1 11 ? 0.588 3.537 -2.939 1.00 97.26 11 A 1 ATOM 86 O OG . SER A 1 11 ? 1.087 4.508 -3.823 1.00 90.46 11 A 1 ATOM 87 N N . LEU A 1 12 ? 2.288 3.058 -0.362 1.00 97.60 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 3.173 3.537 0.707 1.00 97.40 12 A 1 ATOM 89 C C . LEU A 1 12 ? 4.402 2.646 0.835 1.00 97.65 12 A 1 ATOM 90 O O . LEU A 1 12 ? 5.527 3.141 0.940 1.00 97.28 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 2.387 3.562 2.019 1.00 97.08 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 1.780 4.938 2.288 1.00 93.26 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 0.519 4.814 3.129 1.00 90.24 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 2.802 5.809 3.007 1.00 90.33 12 A 1 ATOM 95 N N . ALA A 1 13 ? 4.209 1.346 0.811 1.00 97.78 13 A 1 ATOM 96 C CA . ALA A 1 13 ? 5.321 0.397 0.914 1.00 97.53 13 A 1 ATOM 97 C C . ALA A 1 13 ? 6.289 0.563 -0.260 1.00 97.84 13 A 1 ATOM 98 O O . ALA A 1 13 ? 7.502 0.452 -0.085 1.00 97.23 13 A 1 ATOM 99 C CB . ALA A 1 13 ? 4.761 -1.020 0.954 1.00 97.02 13 A 1 ATOM 100 N N . SER A 1 14 ? 5.779 0.852 -1.440 1.00 98.04 14 A 1 ATOM 101 C CA . SER A 1 14 ? 6.601 1.046 -2.636 1.00 98.05 14 A 1 ATOM 102 C C . SER A 1 14 ? 7.481 2.286 -2.510 1.00 98.20 14 A 1 ATOM 103 O O . SER A 1 14 ? 8.613 2.298 -2.997 1.00 97.56 14 A 1 ATOM 104 C CB . SER A 1 14 ? 5.697 1.170 -3.855 1.00 97.51 14 A 1 ATOM 105 O OG . SER A 1 14 ? 6.472 1.236 -5.024 1.00 90.26 14 A 1 ATOM 106 N N . VAL A 1 15 ? 6.993 3.324 -1.854 1.00 97.93 15 A 1 ATOM 107 C CA . VAL A 1 15 ? 7.757 4.564 -1.671 1.00 97.69 15 A 1 ATOM 108 C C . VAL A 1 15 ? 8.960 4.331 -0.755 1.00 97.93 15 A 1 ATOM 109 O O . VAL A 1 15 ? 10.055 4.826 -1.027 1.00 97.35 15 A 1 ATOM 110 C CB . VAL A 1 15 ? 6.850 5.668 -1.100 1.00 96.93 15 A 1 ATOM 111 C CG1 . VAL A 1 15 ? 7.648 6.932 -0.815 1.00 93.94 15 A 1 ATOM 112 C CG2 . VAL A 1 15 ? 5.745 6.002 -2.090 1.00 93.75 15 A 1 ATOM 113 N N . TRP A 1 16 ? 8.766 3.592 0.326 1.00 96.90 16 A 1 ATOM 114 C CA . TRP A 1 16 ? 9.855 3.327 1.287 1.00 96.59 16 A 1 ATOM 115 C C . TRP A 1 16 ? 10.706 2.147 0.846 1.00 97.18 16 A 1 ATOM 116 O O . TRP A 1 16 ? 11.923 2.161 1.023 1.00 96.74 16 A 1 ATOM 117 C CB . TRP A 1 16 ? 9.255 3.066 2.675 1.00 96.06 16 A 1 ATOM 118 C CG . TRP A 1 16 ? 8.211 4.080 3.034 1.00 94.17 16 A 1 ATOM 119 C CD1 . TRP A 1 16 ? 6.977 3.816 3.534 1.00 91.78 16 A 1 ATOM 120 C CD2 . TRP A 1 16 ? 8.298 5.516 2.906 1.00 94.12 16 A 1 ATOM 121 N NE1 . TRP A 1 16 ? 6.298 4.996 3.727 1.00 91.56 16 A 1 ATOM 122 C CE2 . TRP A 1 16 ? 7.075 6.062 3.346 1.00 93.62 16 A 1 ATOM 123 C CE3 . TRP A 1 16 ? 9.297 6.402 2.459 1.00 92.74 16 A 1 ATOM 124 C CZ2 . TRP A 1 16 ? 6.836 7.441 3.343 1.00 92.31 16 A 1 ATOM 125 C CZ3 . TRP A 1 16 ? 9.055 7.770 2.455 1.00 89.59 16 A 1 ATOM 126 C CH2 . TRP A 1 16 ? 7.836 8.282 2.893 1.00 89.90 16 A 1 ATOM 127 N N . LEU A 1 17 ? 10.091 1.133 0.267 1.00 95.95 17 A 1 ATOM 128 C CA . LEU A 1 17 ? 10.785 -0.073 -0.195 1.00 96.06 17 A 1 ATOM 129 C C . LEU A 1 17 ? 10.942 -0.049 -1.718 1.00 96.65 17 A 1 ATOM 130 O O . LEU A 1 17 ? 10.873 -1.085 -2.373 1.00 95.45 17 A 1 ATOM 131 C CB . LEU A 1 17 ? 9.996 -1.308 0.265 1.00 95.23 17 A 1 ATOM 132 C CG . LEU A 1 17 ? 9.993 -1.494 1.785 1.00 92.59 17 A 1 ATOM 133 C CD1 . LEU A 1 17 ? 8.794 -2.325 2.214 1.00 87.64 17 A 1 ATOM 134 C CD2 . LEU A 1 17 ? 11.284 -2.192 2.218 1.00 85.73 17 A 1 ATOM 135 N N . ALA A 1 18 ? 11.160 1.146 -2.268 1.00 94.91 18 A 1 ATOM 136 C CA . ALA A 1 18 ? 11.282 1.327 -3.714 1.00 93.57 18 A 1 ATOM 137 C C . ALA A 1 18 ? 12.438 0.501 -4.275 1.00 92.00 18 A 1 ATOM 138 O O . ALA A 1 18 ? 13.603 0.826 -4.000 1.00 88.52 18 A 1 ATOM 139 C CB . ALA A 1 18 ? 11.476 2.797 -4.036 1.00 90.02 18 A 1 ATOM 140 O OXT . ALA A 1 18 ? 12.183 -0.460 -5.011 1.00 81.07 18 A 1 #