# 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_spkb39501 # _entry.id spkb39501 # 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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "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 LEU 3 1 n ARG 4 1 n HIS 5 1 n CYS 6 1 n ILE 7 1 n THR 8 1 n PHE 9 1 n THR 10 1 n LEU 11 1 n ILE 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n GLY 17 # _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 @ 2025-07-05 07:42:15)" _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 95.92 _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 90.81 1 1 A PHE 2 2 94.54 1 2 A LEU 3 2 96.31 1 3 A ARG 4 2 91.72 1 4 A HIS 5 2 95.28 1 5 A CYS 6 2 97.96 1 6 A ILE 7 2 97.41 1 7 A THR 8 2 97.52 1 8 A PHE 9 2 96.39 1 9 A THR 10 2 97.81 1 10 A LEU 11 2 97.02 1 11 A ILE 12 2 97.89 1 12 A ALA 13 2 98.78 1 13 A LEU 14 2 97.60 1 14 A LEU 15 2 97.47 1 15 A ALA 16 2 97.93 1 16 A GLY 17 2 91.30 1 17 # _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 LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n HIS . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n GLY . 17 A 17 # _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 ? -8.389 9.497 6.639 1.00 95.69 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.026 9.502 6.062 1.00 96.51 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.843 8.318 5.114 1.00 97.18 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.833 7.172 5.550 1.00 95.79 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.978 9.417 7.174 1.00 93.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.758 10.772 7.829 1.00 87.24 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.476 10.721 9.086 1.00 84.32 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.242 12.472 9.363 1.00 75.75 1 A 1 ATOM 9 N N . PHE A 1 2 ? -6.715 8.610 3.835 1.00 97.24 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -6.557 7.570 2.816 1.00 97.71 2 A 1 ATOM 11 C C . PHE A 1 2 ? -5.080 7.248 2.570 1.00 98.21 2 A 1 ATOM 12 O O . PHE A 1 2 ? -4.750 6.160 2.102 1.00 97.72 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -7.220 8.048 1.527 1.00 97.18 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -7.298 6.974 0.481 1.00 95.14 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -8.179 5.911 0.629 1.00 92.86 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -6.494 7.035 -0.648 1.00 91.89 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -8.255 4.916 -0.333 1.00 90.96 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -6.563 6.039 -1.616 1.00 90.76 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -7.446 4.981 -1.455 1.00 90.31 2 A 1 ATOM 20 N N . LEU A 1 3 ? -4.200 8.187 2.895 1.00 98.22 3 A 1 ATOM 21 C CA . LEU A 1 3 ? -2.757 8.002 2.687 1.00 98.36 3 A 1 ATOM 22 C C . LEU A 1 3 ? -2.233 6.793 3.457 1.00 98.47 3 A 1 ATOM 23 O O . LEU A 1 3 ? -1.375 6.059 2.975 1.00 98.09 3 A 1 ATOM 24 C CB . LEU A 1 3 ? -1.999 9.259 3.124 1.00 98.14 3 A 1 ATOM 25 C CG . LEU A 1 3 ? -1.895 10.324 2.030 1.00 95.38 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? -3.217 11.078 1.873 1.00 92.37 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? -0.780 11.304 2.357 1.00 91.43 3 A 1 ATOM 28 N N . ARG A 1 4 ? -2.758 6.583 4.646 1.00 98.27 4 A 1 ATOM 29 C CA . ARG A 1 4 ? -2.331 5.452 5.478 1.00 98.48 4 A 1 ATOM 30 C C . ARG A 1 4 ? -2.641 4.131 4.790 1.00 98.57 4 A 1 ATOM 31 O O . ARG A 1 4 ? -1.853 3.187 4.861 1.00 98.29 4 A 1 ATOM 32 C CB . ARG A 1 4 ? -3.039 5.528 6.833 1.00 98.21 4 A 1 ATOM 33 C CG . ARG A 1 4 ? -2.413 4.568 7.831 1.00 93.88 4 A 1 ATOM 34 C CD . ARG A 1 4 ? -3.097 4.701 9.180 1.00 91.37 4 A 1 ATOM 35 N NE . ARG A 1 4 ? -2.541 3.753 10.157 1.00 86.80 4 A 1 ATOM 36 C CZ . ARG A 1 4 ? -3.003 3.611 11.389 1.00 85.54 4 A 1 ATOM 37 N NH1 . ARG A 1 4 ? -4.017 4.337 11.820 1.00 79.08 4 A 1 ATOM 38 N NH2 . ARG A 1 4 ? -2.450 2.733 12.201 1.00 80.40 4 A 1 ATOM 39 N N . HIS A 1 5 ? -3.766 4.066 4.112 1.00 98.43 5 A 1 ATOM 40 C CA . HIS A 1 5 ? -4.161 2.856 3.392 1.00 98.42 5 A 1 ATOM 41 C C . HIS A 1 5 ? -3.233 2.608 2.204 1.00 98.60 5 A 1 ATOM 42 O O . HIS A 1 5 ? -2.910 1.460 1.898 1.00 98.41 5 A 1 ATOM 43 C CB . HIS A 1 5 ? -5.603 2.989 2.917 1.00 98.12 5 A 1 ATOM 44 C CG . HIS A 1 5 ? -6.569 3.043 4.060 1.00 96.36 5 A 1 ATOM 45 N ND1 . HIS A 1 5 ? -6.932 4.202 4.704 1.00 89.08 5 A 1 ATOM 46 C CD2 . HIS A 1 5 ? -7.255 2.041 4.673 1.00 90.89 5 A 1 ATOM 47 C CE1 . HIS A 1 5 ? -7.802 3.901 5.662 1.00 91.85 5 A 1 ATOM 48 N NE2 . HIS A 1 5 ? -8.020 2.598 5.670 1.00 92.68 5 A 1 ATOM 49 N N . CYS A 1 6 ? -2.785 3.668 1.553 1.00 98.44 6 A 1 ATOM 50 C CA . CYS A 1 6 ? -1.868 3.543 0.421 1.00 98.54 6 A 1 ATOM 51 C C . CYS A 1 6 ? -0.537 2.931 0.853 1.00 98.62 6 A 1 ATOM 52 O O . CYS A 1 6 ? -0.011 2.040 0.197 1.00 98.44 6 A 1 ATOM 53 C CB . CYS A 1 6 ? -1.624 4.919 -0.194 1.00 98.41 6 A 1 ATOM 54 S SG . CYS A 1 6 ? -3.122 5.574 -0.975 1.00 95.32 6 A 1 ATOM 55 N N . ILE A 1 7 ? -0.010 3.419 1.967 1.00 98.63 7 A 1 ATOM 56 C CA . ILE A 1 7 ? 1.267 2.919 2.485 1.00 98.67 7 A 1 ATOM 57 C C . ILE A 1 7 ? 1.121 1.466 2.932 1.00 98.71 7 A 1 ATOM 58 O O . ILE A 1 7 ? 1.956 0.616 2.611 1.00 98.61 7 A 1 ATOM 59 C CB . ILE A 1 7 ? 1.752 3.792 3.654 1.00 98.64 7 A 1 ATOM 60 C CG1 . ILE A 1 7 ? 1.982 5.233 3.179 1.00 97.09 7 A 1 ATOM 61 C CG2 . ILE A 1 7 ? 3.052 3.219 4.239 1.00 96.91 7 A 1 ATOM 62 C CD1 . ILE A 1 7 ? 2.131 6.218 4.329 1.00 92.00 7 A 1 ATOM 63 N N . THR A 1 8 ? 0.070 1.181 3.665 1.00 98.58 8 A 1 ATOM 64 C CA . THR A 1 8 ? -0.177 -0.175 4.160 1.00 98.56 8 A 1 ATOM 65 C C . THR A 1 8 ? -0.379 -1.143 2.998 1.00 98.60 8 A 1 ATOM 66 O O . THR A 1 8 ? 0.182 -2.241 2.991 1.00 98.41 8 A 1 ATOM 67 C CB . THR A 1 8 ? -1.409 -0.193 5.068 1.00 98.38 8 A 1 ATOM 68 O OG1 . THR A 1 8 ? -1.231 0.736 6.134 1.00 95.36 8 A 1 ATOM 69 C CG2 . THR A 1 8 ? -1.615 -1.577 5.678 1.00 94.72 8 A 1 ATOM 70 N N . PHE A 1 9 ? -1.159 -0.728 2.019 1.00 98.48 9 A 1 ATOM 71 C CA . PHE A 1 9 ? -1.423 -1.564 0.850 1.00 98.43 9 A 1 ATOM 72 C C . PHE A 1 9 ? -0.140 -1.832 0.071 1.00 98.59 9 A 1 ATOM 73 O O . PHE A 1 9 ? 0.099 -2.959 -0.368 1.00 98.39 9 A 1 ATOM 74 C CB . PHE A 1 9 ? -2.449 -0.872 -0.042 1.00 98.16 9 A 1 ATOM 75 C CG . PHE A 1 9 ? -2.792 -1.680 -1.260 1.00 96.78 9 A 1 ATOM 76 C CD1 . PHE A 1 9 ? -3.588 -2.811 -1.154 1.00 94.89 9 A 1 ATOM 77 C CD2 . PHE A 1 9 ? -2.317 -1.302 -2.510 1.00 95.01 9 A 1 ATOM 78 C CE1 . PHE A 1 9 ? -3.903 -3.561 -2.277 1.00 94.03 9 A 1 ATOM 79 C CE2 . PHE A 1 9 ? -2.628 -2.051 -3.642 1.00 93.83 9 A 1 ATOM 80 C CZ . PHE A 1 9 ? -3.422 -3.180 -3.521 1.00 93.69 9 A 1 ATOM 81 N N . THR A 1 10 ? 0.685 -0.818 -0.082 1.00 98.62 10 A 1 ATOM 82 C CA . THR A 1 10 ? 1.952 -0.962 -0.800 1.00 98.65 10 A 1 ATOM 83 C C . THR A 1 10 ? 2.883 -1.920 -0.063 1.00 98.76 10 A 1 ATOM 84 O O . THR A 1 10 ? 3.532 -2.765 -0.678 1.00 98.63 10 A 1 ATOM 85 C CB . THR A 1 10 ? 2.634 0.401 -0.957 1.00 98.45 10 A 1 ATOM 86 O OG1 . THR A 1 10 ? 1.759 1.289 -1.638 1.00 96.11 10 A 1 ATOM 87 C CG2 . THR A 1 10 ? 3.922 0.283 -1.768 1.00 95.46 10 A 1 ATOM 88 N N . LEU A 1 11 ? 2.946 -1.796 1.254 1.00 98.50 11 A 1 ATOM 89 C CA . LEU A 1 11 ? 3.793 -2.668 2.069 1.00 98.58 11 A 1 ATOM 90 C C . LEU A 1 11 ? 3.332 -4.116 1.965 1.00 98.73 11 A 1 ATOM 91 O O . LEU A 1 11 ? 4.152 -5.022 1.815 1.00 98.66 11 A 1 ATOM 92 C CB . LEU A 1 11 ? 3.744 -2.201 3.523 1.00 98.48 11 A 1 ATOM 93 C CG . LEU A 1 11 ? 4.644 -0.998 3.791 1.00 95.58 11 A 1 ATOM 94 C CD1 . LEU A 1 11 ? 4.251 -0.313 5.090 1.00 93.43 11 A 1 ATOM 95 C CD2 . LEU A 1 11 ? 6.102 -1.449 3.876 1.00 94.23 11 A 1 ATOM 96 N N . ILE A 1 12 ? 2.042 -4.334 2.039 1.00 98.75 12 A 1 ATOM 97 C CA . ILE A 1 12 ? 1.485 -5.684 1.941 1.00 98.70 12 A 1 ATOM 98 C C . ILE A 1 12 ? 1.744 -6.261 0.554 1.00 98.76 12 A 1 ATOM 99 O O . ILE A 1 12 ? 2.110 -7.432 0.422 1.00 98.68 12 A 1 ATOM 100 C CB . ILE A 1 12 ? -0.022 -5.661 2.247 1.00 98.55 12 A 1 ATOM 101 C CG1 . ILE A 1 12 ? -0.260 -5.277 3.714 1.00 97.53 12 A 1 ATOM 102 C CG2 . ILE A 1 12 ? -0.639 -7.039 1.976 1.00 97.48 12 A 1 ATOM 103 C CD1 . ILE A 1 12 ? -1.702 -4.889 3.993 1.00 94.69 12 A 1 ATOM 104 N N . ALA A 1 13 ? 1.562 -5.458 -0.463 1.00 98.84 13 A 1 ATOM 105 C CA . ALA A 1 13 ? 1.787 -5.897 -1.840 1.00 98.82 13 A 1 ATOM 106 C C . ALA A 1 13 ? 3.246 -6.289 -2.058 1.00 98.86 13 A 1 ATOM 107 O O . ALA A 1 13 ? 3.532 -7.318 -2.668 1.00 98.71 13 A 1 ATOM 108 C CB . ALA A 1 13 ? 1.387 -4.781 -2.801 1.00 98.66 13 A 1 ATOM 109 N N . LEU A 1 14 ? 4.163 -5.482 -1.546 1.00 98.77 14 A 1 ATOM 110 C CA . LEU A 1 14 ? 5.592 -5.768 -1.665 1.00 98.76 14 A 1 ATOM 111 C C . LEU A 1 14 ? 5.964 -7.012 -0.871 1.00 98.83 14 A 1 ATOM 112 O O . LEU A 1 14 ? 6.773 -7.823 -1.316 1.00 98.61 14 A 1 ATOM 113 C CB . LEU A 1 14 ? 6.402 -4.573 -1.162 1.00 98.60 14 A 1 ATOM 114 C CG . LEU A 1 14 ? 7.107 -3.801 -2.276 1.00 97.16 14 A 1 ATOM 115 C CD1 . LEU A 1 14 ? 6.092 -3.019 -3.097 1.00 95.12 14 A 1 ATOM 116 C CD2 . LEU A 1 14 ? 8.152 -2.867 -1.698 1.00 94.97 14 A 1 ATOM 117 N N . LEU A 1 15 ? 5.380 -7.154 0.307 1.00 98.71 15 A 1 ATOM 118 C CA . LEU A 1 15 ? 5.658 -8.297 1.176 1.00 98.69 15 A 1 ATOM 119 C C . LEU A 1 15 ? 5.130 -9.580 0.554 1.00 98.73 15 A 1 ATOM 120 O O . LEU A 1 15 ? 5.763 -10.633 0.647 1.00 98.42 15 A 1 ATOM 121 C CB . LEU A 1 15 ? 5.023 -8.048 2.550 1.00 98.51 15 A 1 ATOM 122 C CG . LEU A 1 15 ? 5.911 -8.476 3.717 1.00 97.44 15 A 1 ATOM 123 C CD1 . LEU A 1 15 ? 5.573 -7.655 4.957 1.00 94.76 15 A 1 ATOM 124 C CD2 . LEU A 1 15 ? 5.742 -9.950 4.015 1.00 94.50 15 A 1 ATOM 125 N N . ALA A 1 16 ? 3.981 -9.502 -0.078 1.00 98.56 16 A 1 ATOM 126 C CA . ALA A 1 16 ? 3.373 -10.665 -0.727 1.00 98.31 16 A 1 ATOM 127 C C . ALA A 1 16 ? 4.191 -11.105 -1.936 1.00 98.25 16 A 1 ATOM 128 O O . ALA A 1 16 ? 4.252 -12.299 -2.239 1.00 96.92 16 A 1 ATOM 129 C CB . ALA A 1 16 ? 1.943 -10.336 -1.137 1.00 97.60 16 A 1 ATOM 130 N N . GLY A 1 17 ? 4.829 -10.141 -2.588 1.00 96.73 17 A 1 ATOM 131 C CA . GLY A 1 17 ? 5.628 -10.444 -3.783 1.00 93.98 17 A 1 ATOM 132 C C . GLY A 1 17 ? 4.759 -10.487 -5.023 1.00 90.94 17 A 1 ATOM 133 O O . GLY A 1 17 ? 4.714 -11.532 -5.684 1.00 84.19 17 A 1 ATOM 134 O OXT . GLY A 1 17 ? 4.134 -9.459 -5.337 1.00 90.68 17 A 1 #