# 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_spkb16311 # _entry.id spkb16311 # 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" "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" "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 PHE 2 1 n SER 3 1 n ARG 4 1 n ARG 5 1 n ASN 6 1 n LEU 7 1 n VAL 8 1 n ALA 9 1 n LEU 10 1 n GLY 11 1 n LEU 12 1 n ALA 13 1 n ALA 14 1 n THR 15 1 n VAL 16 1 n SER 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 06:43:11)" _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 90.74 _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 81.09 1 1 A PHE 2 2 83.74 1 2 A SER 3 2 91.75 1 3 A ARG 4 2 87.88 1 4 A ARG 5 2 87.13 1 5 A ASN 6 2 92.72 1 6 A LEU 7 2 93.40 1 7 A VAL 8 2 95.98 1 8 A ALA 9 2 95.96 1 9 A LEU 10 2 92.86 1 10 A GLY 11 2 96.40 1 11 A LEU 12 2 93.66 1 12 A ALA 13 2 96.03 1 13 A ALA 14 2 96.43 1 14 A THR 15 2 92.56 1 15 A VAL 16 2 92.72 1 16 A SER 17 2 90.83 1 17 A ALA 18 2 86.56 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 PHE . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n ARG . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n SER . 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 ? -9.437 7.651 7.613 1.00 82.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.330 7.150 8.456 1.00 87.47 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.029 5.696 8.119 1.00 89.65 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.930 4.869 8.091 1.00 86.40 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.700 7.263 9.932 1.00 80.90 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.833 8.710 10.383 1.00 77.18 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.207 8.831 12.141 1.00 76.42 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.334 10.608 12.316 1.00 67.75 1 A 1 ATOM 9 N N . PHE A 1 2 ? -6.752 5.384 7.853 1.00 86.11 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -6.340 4.028 7.528 1.00 88.29 2 A 1 ATOM 11 C C . PHE A 1 2 ? -5.591 3.386 8.687 1.00 91.73 2 A 1 ATOM 12 O O . PHE A 1 2 ? -5.151 4.069 9.614 1.00 89.30 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -5.453 4.046 6.290 1.00 85.31 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -6.181 4.486 5.054 1.00 82.91 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -7.182 3.698 4.511 1.00 81.14 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -5.861 5.681 4.430 1.00 80.41 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -7.857 4.099 3.368 1.00 79.18 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -6.533 6.088 3.286 1.00 78.70 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -7.535 5.295 2.756 1.00 78.05 2 A 1 ATOM 20 N N . SER A 1 3 ? -5.445 2.069 8.618 1.00 93.38 3 A 1 ATOM 21 C CA . SER A 1 3 ? -4.747 1.325 9.658 1.00 94.00 3 A 1 ATOM 22 C C . SER A 1 3 ? -3.238 1.324 9.394 1.00 95.45 3 A 1 ATOM 23 O O . SER A 1 3 ? -2.774 1.876 8.396 1.00 94.36 3 A 1 ATOM 24 C CB . SER A 1 3 ? -5.272 -0.108 9.715 1.00 91.22 3 A 1 ATOM 25 O OG . SER A 1 3 ? -4.739 -0.794 10.834 1.00 82.07 3 A 1 ATOM 26 N N . ARG A 1 4 ? -2.483 0.695 10.303 1.00 94.56 4 A 1 ATOM 27 C CA . ARG A 1 4 ? -1.026 0.618 10.151 1.00 95.82 4 A 1 ATOM 28 C C . ARG A 1 4 ? -0.646 -0.285 8.985 1.00 96.85 4 A 1 ATOM 29 O O . ARG A 1 4 ? 0.107 0.105 8.098 1.00 96.21 4 A 1 ATOM 30 C CB . ARG A 1 4 ? -0.405 0.094 11.446 1.00 94.87 4 A 1 ATOM 31 C CG . ARG A 1 4 ? -0.469 1.111 12.569 1.00 90.70 4 A 1 ATOM 32 C CD . ARG A 1 4 ? 0.098 0.531 13.853 1.00 87.82 4 A 1 ATOM 33 N NE . ARG A 1 4 ? -0.864 -0.366 14.501 1.00 82.06 4 A 1 ATOM 34 C CZ . ARG A 1 4 ? -0.628 -0.987 15.649 1.00 80.30 4 A 1 ATOM 35 N NH1 . ARG A 1 4 ? 0.529 -0.839 16.271 1.00 73.48 4 A 1 ATOM 36 N NH2 . ARG A 1 4 ? -1.552 -1.769 16.184 1.00 74.00 4 A 1 ATOM 37 N N . ARG A 1 5 ? -1.167 -1.495 8.990 1.00 95.63 5 A 1 ATOM 38 C CA . ARG A 1 5 ? -0.884 -2.465 7.931 1.00 95.97 5 A 1 ATOM 39 C C . ARG A 1 5 ? -1.419 -1.985 6.588 1.00 96.76 5 A 1 ATOM 40 O O . ARG A 1 5 ? -0.886 -2.335 5.541 1.00 95.97 5 A 1 ATOM 41 C CB . ARG A 1 5 ? -1.513 -3.818 8.288 1.00 94.72 5 A 1 ATOM 42 C CG . ARG A 1 5 ? -3.010 -3.719 8.535 1.00 89.64 5 A 1 ATOM 43 C CD . ARG A 1 5 ? -3.800 -4.211 7.325 1.00 86.80 5 A 1 ATOM 44 N NE . ARG A 1 5 ? -4.165 -5.621 7.455 1.00 80.96 5 A 1 ATOM 45 C CZ . ARG A 1 5 ? -4.637 -6.369 6.472 1.00 78.41 5 A 1 ATOM 46 N NH1 . ARG A 1 5 ? -4.793 -5.867 5.271 1.00 72.14 5 A 1 ATOM 47 N NH2 . ARG A 1 5 ? -4.968 -7.631 6.693 1.00 71.48 5 A 1 ATOM 48 N N . ASN A 1 6 ? -2.458 -1.189 6.628 1.00 95.20 6 A 1 ATOM 49 C CA . ASN A 1 6 ? -3.066 -0.653 5.414 1.00 95.46 6 A 1 ATOM 50 C C . ASN A 1 6 ? -2.090 0.253 4.673 1.00 96.20 6 A 1 ATOM 51 O O . ASN A 1 6 ? -1.980 0.198 3.450 1.00 95.64 6 A 1 ATOM 52 C CB . ASN A 1 6 ? -4.334 0.129 5.758 1.00 94.83 6 A 1 ATOM 53 C CG . ASN A 1 6 ? -5.117 0.492 4.513 1.00 92.11 6 A 1 ATOM 54 O OD1 . ASN A 1 6 ? -5.304 1.655 4.201 1.00 87.16 6 A 1 ATOM 55 N ND2 . ASN A 1 6 ? -5.582 -0.510 3.785 1.00 85.14 6 A 1 ATOM 56 N N . LEU A 1 7 ? -1.367 1.068 5.414 1.00 95.15 7 A 1 ATOM 57 C CA . LEU A 1 7 ? -0.385 1.972 4.825 1.00 95.24 7 A 1 ATOM 58 C C . LEU A 1 7 ? 0.746 1.189 4.169 1.00 96.05 7 A 1 ATOM 59 O O . LEU A 1 7 ? 1.202 1.532 3.076 1.00 95.57 7 A 1 ATOM 60 C CB . LEU A 1 7 ? 0.180 2.894 5.908 1.00 94.89 7 A 1 ATOM 61 C CG . LEU A 1 7 ? -0.813 3.936 6.412 1.00 92.00 7 A 1 ATOM 62 C CD1 . LEU A 1 7 ? -0.299 4.598 7.677 1.00 89.56 7 A 1 ATOM 63 C CD2 . LEU A 1 7 ? -1.061 4.988 5.336 1.00 88.74 7 A 1 ATOM 64 N N . VAL A 1 8 ? 1.193 0.142 4.840 1.00 96.61 8 A 1 ATOM 65 C CA . VAL A 1 8 ? 2.271 -0.700 4.319 1.00 96.65 8 A 1 ATOM 66 C C . VAL A 1 8 ? 1.827 -1.402 3.045 1.00 97.11 8 A 1 ATOM 67 O O . VAL A 1 8 ? 2.562 -1.438 2.052 1.00 96.89 8 A 1 ATOM 68 C CB . VAL A 1 8 ? 2.702 -1.746 5.359 1.00 96.09 8 A 1 ATOM 69 C CG1 . VAL A 1 8 ? 3.802 -2.642 4.802 1.00 94.31 8 A 1 ATOM 70 C CG2 . VAL A 1 8 ? 3.178 -1.058 6.631 1.00 94.19 8 A 1 ATOM 71 N N . ALA A 1 9 ? 0.644 -1.960 3.081 1.00 96.00 9 A 1 ATOM 72 C CA . ALA A 1 9 ? 0.102 -2.671 1.929 1.00 95.95 9 A 1 ATOM 73 C C . ALA A 1 9 ? -0.125 -1.721 0.757 1.00 96.67 9 A 1 ATOM 74 O O . ALA A 1 9 ? 0.114 -2.076 -0.396 1.00 96.10 9 A 1 ATOM 75 C CB . ALA A 1 9 ? -1.208 -3.353 2.317 1.00 95.07 9 A 1 ATOM 76 N N . LEU A 1 10 ? -0.579 -0.525 1.060 1.00 95.28 10 A 1 ATOM 77 C CA . LEU A 1 10 ? -0.839 0.473 0.033 1.00 95.13 10 A 1 ATOM 78 C C . LEU A 1 10 ? 0.454 0.912 -0.644 1.00 96.04 10 A 1 ATOM 79 O O . LEU A 1 10 ? 0.517 1.032 -1.868 1.00 95.29 10 A 1 ATOM 80 C CB . LEU A 1 10 ? -1.543 1.681 0.656 1.00 94.14 10 A 1 ATOM 81 C CG . LEU A 1 10 ? -2.118 2.654 -0.364 1.00 91.55 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -3.343 2.061 -1.045 1.00 88.41 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? -2.474 3.973 0.309 1.00 87.04 10 A 1 ATOM 84 N N . GLY A 1 11 ? 1.471 1.152 0.164 1.00 95.92 11 A 1 ATOM 85 C CA . GLY A 1 11 ? 2.758 1.581 -0.371 1.00 96.01 11 A 1 ATOM 86 C C . GLY A 1 11 ? 3.440 0.500 -1.185 1.00 96.88 11 A 1 ATOM 87 O O . GLY A 1 11 ? 3.851 0.727 -2.324 1.00 96.80 11 A 1 ATOM 88 N N . LEU A 1 12 ? 3.552 -0.686 -0.603 1.00 95.81 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 4.202 -1.809 -1.274 1.00 95.79 12 A 1 ATOM 90 C C . LEU A 1 12 ? 3.419 -2.242 -2.506 1.00 96.70 12 A 1 ATOM 91 O O . LEU A 1 12 ? 4.004 -2.539 -3.548 1.00 96.08 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 4.339 -2.983 -0.305 1.00 95.08 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 5.396 -2.777 0.776 1.00 91.62 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 5.278 -3.854 1.843 1.00 89.17 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 6.788 -2.783 0.168 1.00 88.99 12 A 1 ATOM 96 N N . ALA A 1 13 ? 2.115 -2.282 -2.383 1.00 96.54 13 A 1 ATOM 97 C CA . ALA A 1 13 ? 1.265 -2.679 -3.501 1.00 96.16 13 A 1 ATOM 98 C C . ALA A 1 13 ? 1.400 -1.702 -4.665 1.00 96.82 13 A 1 ATOM 99 O O . ALA A 1 13 ? 1.363 -2.101 -5.830 1.00 95.85 13 A 1 ATOM 100 C CB . ALA A 1 13 ? -0.191 -2.753 -3.046 1.00 94.77 13 A 1 ATOM 101 N N . ALA A 1 14 ? 1.561 -0.439 -4.343 1.00 96.82 14 A 1 ATOM 102 C CA . ALA A 1 14 ? 1.698 0.592 -5.367 1.00 96.55 14 A 1 ATOM 103 C C . ALA A 1 14 ? 3.005 0.440 -6.135 1.00 97.21 14 A 1 ATOM 104 O O . ALA A 1 14 ? 3.029 0.554 -7.360 1.00 96.16 14 A 1 ATOM 105 C CB . ALA A 1 14 ? 1.621 1.971 -4.724 1.00 95.39 14 A 1 ATOM 106 N N . THR A 1 15 ? 4.093 0.186 -5.423 1.00 95.59 15 A 1 ATOM 107 C CA . THR A 1 15 ? 5.403 0.038 -6.056 1.00 95.31 15 A 1 ATOM 108 C C . THR A 1 15 ? 5.480 -1.247 -6.875 1.00 95.67 15 A 1 ATOM 109 O O . THR A 1 15 ? 6.078 -1.275 -7.951 1.00 93.67 15 A 1 ATOM 110 C CB . THR A 1 15 ? 6.526 0.067 -5.004 1.00 93.63 15 A 1 ATOM 111 O OG1 . THR A 1 15 ? 7.788 0.065 -5.670 1.00 87.53 15 A 1 ATOM 112 C CG2 . THR A 1 15 ? 6.459 -1.127 -4.077 1.00 86.52 15 A 1 ATOM 113 N N . VAL A 1 16 ? 4.877 -2.306 -6.363 1.00 96.05 16 A 1 ATOM 114 C CA . VAL A 1 16 ? 4.860 -3.591 -7.063 1.00 95.26 16 A 1 ATOM 115 C C . VAL A 1 16 ? 3.990 -3.513 -8.313 1.00 95.68 16 A 1 ATOM 116 O O . VAL A 1 16 ? 4.264 -4.172 -9.320 1.00 93.02 16 A 1 ATOM 117 C CB . VAL A 1 16 ? 4.351 -4.710 -6.138 1.00 93.15 16 A 1 ATOM 118 C CG1 . VAL A 1 16 ? 4.213 -6.021 -6.899 1.00 87.22 16 A 1 ATOM 119 C CG2 . VAL A 1 16 ? 5.292 -4.889 -4.960 1.00 88.68 16 A 1 ATOM 120 N N . SER A 1 17 ? 2.960 -2.710 -8.244 1.00 94.57 17 A 1 ATOM 121 C CA . SER A 1 17 ? 2.041 -2.537 -9.370 1.00 93.94 17 A 1 ATOM 122 C C . SER A 1 17 ? 2.749 -1.927 -10.578 1.00 94.15 17 A 1 ATOM 123 O O . SER A 1 17 ? 2.335 -2.130 -11.724 1.00 91.06 17 A 1 ATOM 124 C CB . SER A 1 17 ? 0.870 -1.646 -8.959 1.00 90.94 17 A 1 ATOM 125 O OG . SER A 1 17 ? -0.059 -1.522 -10.015 1.00 80.35 17 A 1 ATOM 126 N N . ALA A 1 18 ? 3.812 -1.178 -10.327 1.00 92.23 18 A 1 ATOM 127 C CA . ALA A 1 18 ? 4.569 -0.537 -11.394 1.00 89.95 18 A 1 ATOM 128 C C . ALA A 1 18 ? 5.404 -1.548 -12.180 1.00 88.84 18 A 1 ATOM 129 O O . ALA A 1 18 ? 5.674 -2.646 -11.669 1.00 84.37 18 A 1 ATOM 130 C CB . ALA A 1 18 ? 5.456 0.561 -10.811 1.00 85.48 18 A 1 ATOM 131 O OXT . ALA A 1 18 ? 5.819 -1.237 -13.312 1.00 78.47 18 A 1 #