# 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_spkb30411 # _entry.id spkb30411 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)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" "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 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" "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" "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 LYS 2 1 n VAL 3 1 n PRO 4 1 n PHE 5 1 n LEU 6 1 n GLN 7 1 n LEU 8 1 n LEU 9 1 n CYS 10 1 n LEU 11 1 n ASN 12 1 n ALA 13 1 n ALA 14 1 n LEU 15 1 n ALA 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 @ 2025-07-13 04:33:37)" _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 90.14 _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 81.73 1 1 A LYS 2 2 78.43 1 2 A VAL 3 2 86.90 1 3 A PRO 4 2 91.35 1 4 A PHE 5 2 91.19 1 5 A LEU 6 2 92.49 1 6 A GLN 7 2 90.23 1 7 A LEU 8 2 92.65 1 8 A LEU 9 2 92.71 1 9 A CYS 10 2 93.80 1 10 A LEU 11 2 91.64 1 11 A ASN 12 2 91.85 1 12 A ALA 13 2 95.73 1 13 A ALA 14 2 96.23 1 14 A LEU 15 2 91.98 1 15 A ALA 16 2 95.51 1 16 A SER 17 2 90.46 1 17 A ALA 18 2 84.35 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 LYS . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n GLN . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ASN . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 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 ? -11.434 -0.626 10.799 1.00 88.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.046 -0.314 10.399 1.00 88.65 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.730 -0.896 9.023 1.00 88.60 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.488 -2.086 8.891 1.00 84.48 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.075 -0.890 11.421 1.00 84.45 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.808 -0.060 11.535 1.00 77.95 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.589 -0.862 12.579 1.00 74.88 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.511 0.517 12.948 1.00 66.20 1 A 1 ATOM 9 N N . LYS A 1 2 ? -9.763 -0.055 8.020 1.00 85.91 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.493 -0.496 6.650 1.00 87.84 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.385 0.349 6.029 1.00 87.74 2 A 1 ATOM 12 O O . LYS A 1 2 ? -8.354 1.568 6.197 1.00 86.23 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.768 -0.409 5.817 1.00 83.93 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -11.163 -1.767 5.268 1.00 75.19 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -11.971 -1.619 3.998 1.00 71.95 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.583 -2.673 2.985 1.00 67.82 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -12.178 -3.987 3.319 1.00 59.29 2 A 1 ATOM 18 N N . VAL A 1 3 ? -7.492 -0.307 5.334 1.00 87.57 3 A 1 ATOM 19 C CA . VAL A 1 3 ? -6.382 0.399 4.698 1.00 90.03 3 A 1 ATOM 20 C C . VAL A 1 3 ? -6.658 0.595 3.214 1.00 92.22 3 A 1 ATOM 21 O O . VAL A 1 3 ? -6.716 -0.378 2.467 1.00 90.71 3 A 1 ATOM 22 C CB . VAL A 1 3 ? -5.070 -0.377 4.869 1.00 86.69 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? -3.890 0.479 4.444 1.00 79.26 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? -4.904 -0.819 6.313 1.00 81.79 3 A 1 ATOM 25 N N . PRO A 1 4 ? -6.822 1.833 2.800 1.00 92.04 4 A 1 ATOM 26 C CA . PRO A 1 4 ? -7.093 2.146 1.399 1.00 93.13 4 A 1 ATOM 27 C C . PRO A 1 4 ? -5.863 1.903 0.526 1.00 94.53 4 A 1 ATOM 28 O O . PRO A 1 4 ? -4.739 1.860 1.020 1.00 92.84 4 A 1 ATOM 29 C CB . PRO A 1 4 ? -7.465 3.629 1.424 1.00 89.79 4 A 1 ATOM 30 C CG . PRO A 1 4 ? -6.818 4.169 2.648 1.00 87.18 4 A 1 ATOM 31 C CD . PRO A 1 4 ? -6.779 3.024 3.634 1.00 89.97 4 A 1 ATOM 32 N N . PHE A 1 5 ? -6.097 1.762 -0.754 1.00 93.45 5 A 1 ATOM 33 C CA . PHE A 1 5 ? -5.006 1.540 -1.696 1.00 94.08 5 A 1 ATOM 34 C C . PHE A 1 5 ? -4.005 2.687 -1.657 1.00 95.10 5 A 1 ATOM 35 O O . PHE A 1 5 ? -2.802 2.485 -1.817 1.00 94.39 5 A 1 ATOM 36 C CB . PHE A 1 5 ? -5.577 1.399 -3.105 1.00 93.54 5 A 1 ATOM 37 C CG . PHE A 1 5 ? -5.705 -0.044 -3.530 1.00 91.50 5 A 1 ATOM 38 C CD1 . PHE A 1 5 ? -4.595 -0.741 -3.974 1.00 88.25 5 A 1 ATOM 39 C CD2 . PHE A 1 5 ? -6.931 -0.686 -3.476 1.00 88.43 5 A 1 ATOM 40 C CE1 . PHE A 1 5 ? -4.703 -2.068 -4.365 1.00 88.19 5 A 1 ATOM 41 C CE2 . PHE A 1 5 ? -7.046 -2.014 -3.863 1.00 87.83 5 A 1 ATOM 42 C CZ . PHE A 1 5 ? -5.931 -2.703 -4.310 1.00 88.33 5 A 1 ATOM 43 N N . LEU A 1 6 ? -4.516 3.872 -1.433 1.00 94.86 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -3.665 5.060 -1.364 1.00 95.25 6 A 1 ATOM 45 C C . LEU A 1 6 ? -2.654 4.941 -0.230 1.00 95.94 6 A 1 ATOM 46 O O . LEU A 1 6 ? -1.474 5.240 -0.400 1.00 95.53 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -4.528 6.304 -1.172 1.00 94.93 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -4.714 7.120 -2.443 1.00 90.51 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -5.622 6.398 -3.422 1.00 86.62 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -5.277 8.486 -2.100 1.00 86.25 6 A 1 ATOM 51 N N . GLN A 1 7 ? -3.141 4.504 0.916 1.00 95.23 7 A 1 ATOM 52 C CA . GLN A 1 7 ? -2.277 4.348 2.088 1.00 95.04 7 A 1 ATOM 53 C C . GLN A 1 7 ? -1.240 3.258 1.854 1.00 95.64 7 A 1 ATOM 54 O O . GLN A 1 7 ? -0.066 3.427 2.179 1.00 95.24 7 A 1 ATOM 55 C CB . GLN A 1 7 ? -3.127 4.005 3.310 1.00 94.75 7 A 1 ATOM 56 C CG . GLN A 1 7 ? -3.554 5.249 4.072 1.00 89.35 7 A 1 ATOM 57 C CD . GLN A 1 7 ? -3.281 5.080 5.564 1.00 85.50 7 A 1 ATOM 58 O OE1 . GLN A 1 7 ? -3.451 4.003 6.126 1.00 80.95 7 A 1 ATOM 59 N NE2 . GLN A 1 7 ? -2.842 6.136 6.221 1.00 80.34 7 A 1 ATOM 60 N N . LEU A 1 8 ? -1.685 2.156 1.288 1.00 95.07 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -0.781 1.047 0.996 1.00 95.25 8 A 1 ATOM 62 C C . LEU A 1 8 ? 0.296 1.471 0.010 1.00 95.92 8 A 1 ATOM 63 O O . LEU A 1 8 ? 1.473 1.147 0.176 1.00 95.85 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -1.582 -0.119 0.420 1.00 95.22 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -2.065 -1.093 1.484 1.00 89.40 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -3.381 -1.714 1.077 1.00 86.70 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -1.021 -2.178 1.706 1.00 87.82 8 A 1 ATOM 68 N N . LEU A 1 9 ? -0.122 2.173 -1.009 1.00 95.45 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 0.810 2.653 -2.026 1.00 95.23 9 A 1 ATOM 70 C C . LEU A 1 9 ? 1.822 3.612 -1.412 1.00 95.90 9 A 1 ATOM 71 O O . LEU A 1 9 ? 3.016 3.549 -1.706 1.00 95.74 9 A 1 ATOM 72 C CB . LEU A 1 9 ? 0.032 3.353 -3.144 1.00 95.05 9 A 1 ATOM 73 C CG . LEU A 1 9 ? 0.804 3.421 -4.459 1.00 90.04 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? 0.574 2.155 -5.278 1.00 86.81 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? 0.386 4.640 -5.252 1.00 87.46 9 A 1 ATOM 76 N N . CYS A 1 10 ? 1.337 4.487 -0.559 1.00 95.07 10 A 1 ATOM 77 C CA . CYS A 1 10 ? 2.191 5.472 0.102 1.00 94.93 10 A 1 ATOM 78 C C . CYS A 1 10 ? 3.238 4.775 0.971 1.00 95.17 10 A 1 ATOM 79 O O . CYS A 1 10 ? 4.408 5.141 0.968 1.00 94.26 10 A 1 ATOM 80 C CB . CYS A 1 10 ? 1.330 6.407 0.956 1.00 94.02 10 A 1 ATOM 81 S SG . CYS A 1 10 ? 1.781 8.141 0.749 1.00 89.33 10 A 1 ATOM 82 N N . LEU A 1 11 ? 2.800 3.771 1.692 1.00 94.28 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 3.704 3.018 2.558 1.00 94.44 11 A 1 ATOM 84 C C . LEU A 1 11 ? 4.748 2.282 1.737 1.00 95.46 11 A 1 ATOM 85 O O . LEU A 1 11 ? 5.920 2.216 2.115 1.00 95.05 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 2.894 2.028 3.392 1.00 93.94 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 2.665 2.503 4.822 1.00 88.75 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 1.298 2.071 5.314 1.00 85.56 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? 3.750 1.950 5.733 1.00 85.60 11 A 1 ATOM 90 N N . ASN A 1 12 ? 4.313 1.726 0.623 1.00 94.98 12 A 1 ATOM 91 C CA . ASN A 1 12 ? 5.220 1.014 -0.272 1.00 95.39 12 A 1 ATOM 92 C C . ASN A 1 12 ? 6.316 1.945 -0.763 1.00 96.03 12 A 1 ATOM 93 O O . ASN A 1 12 ? 7.495 1.585 -0.795 1.00 95.51 12 A 1 ATOM 94 C CB . ASN A 1 12 ? 4.444 0.455 -1.467 1.00 94.44 12 A 1 ATOM 95 C CG . ASN A 1 12 ? 5.071 -0.831 -1.964 1.00 89.99 12 A 1 ATOM 96 O OD1 . ASN A 1 12 ? 5.179 -1.802 -1.233 1.00 83.71 12 A 1 ATOM 97 N ND2 . ASN A 1 12 ? 5.486 -0.859 -3.210 1.00 84.73 12 A 1 ATOM 98 N N . ALA A 1 13 ? 5.918 3.134 -1.156 1.00 96.51 13 A 1 ATOM 99 C CA . ALA A 1 13 ? 6.872 4.130 -1.639 1.00 96.08 13 A 1 ATOM 100 C C . ALA A 1 13 ? 7.830 4.535 -0.524 1.00 96.44 13 A 1 ATOM 101 O O . ALA A 1 13 ? 9.024 4.729 -0.755 1.00 94.66 13 A 1 ATOM 102 C CB . ALA A 1 13 ? 6.121 5.350 -2.159 1.00 94.95 13 A 1 ATOM 103 N N . ALA A 1 14 ? 7.297 4.656 0.679 1.00 96.73 14 A 1 ATOM 104 C CA . ALA A 1 14 ? 8.108 5.030 1.834 1.00 96.50 14 A 1 ATOM 105 C C . ALA A 1 14 ? 9.133 3.942 2.136 1.00 96.99 14 A 1 ATOM 106 O O . ALA A 1 14 ? 10.271 4.231 2.499 1.00 95.45 14 A 1 ATOM 107 C CB . ALA A 1 14 ? 7.205 5.264 3.036 1.00 95.50 14 A 1 ATOM 108 N N . LEU A 1 15 ? 8.729 2.703 1.963 1.00 96.00 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 9.620 1.571 2.200 1.00 95.64 15 A 1 ATOM 110 C C . LEU A 1 15 ? 10.777 1.593 1.217 1.00 95.87 15 A 1 ATOM 111 O O . LEU A 1 15 ? 11.923 1.323 1.576 1.00 94.78 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 8.843 0.263 2.071 1.00 94.68 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 9.471 -0.882 2.858 1.00 88.87 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 8.422 -1.611 3.673 1.00 84.96 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 10.179 -1.846 1.932 1.00 85.08 15 A 1 ATOM 116 N N . ALA A 1 16 ? 10.475 1.907 -0.027 1.00 96.45 16 A 1 ATOM 117 C CA . ALA A 1 16 ? 11.500 1.996 -1.064 1.00 96.05 16 A 1 ATOM 118 C C . ALA A 1 16 ? 12.517 3.072 -0.715 1.00 96.19 16 A 1 ATOM 119 O O . ALA A 1 16 ? 13.695 2.964 -1.058 1.00 94.28 16 A 1 ATOM 120 C CB . ALA A 1 16 ? 10.844 2.308 -2.403 1.00 94.56 16 A 1 ATOM 121 N N . SER A 1 17 ? 12.048 4.095 -0.033 1.00 93.98 17 A 1 ATOM 122 C CA . SER A 1 17 ? 12.908 5.200 0.393 1.00 93.59 17 A 1 ATOM 123 C C . SER A 1 17 ? 13.834 4.760 1.523 1.00 93.17 17 A 1 ATOM 124 O O . SER A 1 17 ? 14.859 5.394 1.780 1.00 90.12 17 A 1 ATOM 125 C CB . SER A 1 17 ? 12.052 6.383 0.842 1.00 90.99 17 A 1 ATOM 126 O OG . SER A 1 17 ? 12.858 7.484 1.177 1.00 80.92 17 A 1 ATOM 127 N N . ALA A 1 18 ? 13.455 3.670 2.178 1.00 90.93 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 14.214 3.117 3.304 1.00 88.52 18 A 1 ATOM 129 C C . ALA A 1 18 ? 14.178 4.054 4.504 1.00 87.02 18 A 1 ATOM 130 O O . ALA A 1 18 ? 15.071 4.897 4.647 1.00 81.35 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 15.650 2.840 2.884 1.00 84.21 18 A 1 ATOM 132 O OXT . ALA A 1 18 ? 13.235 3.906 5.300 1.00 74.09 18 A 1 #