# 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_899 # _entry.id 899 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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 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" # _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 GLN 2 1 n HIS 3 1 n ARG 4 1 n GLY 5 1 n PHE 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n THR 10 1 n LEU 11 1 n LEU 12 1 n ALA 13 1 n LEU 14 1 n LEU 15 1 n ALA 16 1 n LEU 17 1 n THR 18 1 n SER 19 1 n ALA 20 # _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 @ 2025-05-29 14:07:35)" _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 92.94 _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 83.24 1 1 A GLN 2 2 82.30 1 2 A HIS 3 2 86.41 1 3 A ARG 4 2 85.98 1 4 A GLY 5 2 96.64 1 5 A PHE 6 2 94.20 1 6 A LEU 7 2 95.35 1 7 A LEU 8 2 95.44 1 8 A LEU 9 2 95.25 1 9 A THR 10 2 96.70 1 10 A LEU 11 2 95.80 1 11 A LEU 12 2 96.31 1 12 A ALA 13 2 98.60 1 13 A LEU 14 2 97.14 1 14 A LEU 15 2 96.90 1 15 A ALA 16 2 98.67 1 16 A LEU 17 2 96.65 1 17 A THR 18 2 95.74 1 18 A SER 19 2 92.79 1 19 A ALA 20 2 89.97 1 20 # _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 GLN . 2 A 2 A 3 1 n HIS . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 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 LEU . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -15.064 -1.540 11.580 1.00 88.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.830 -0.944 11.055 1.00 89.52 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.125 -1.916 10.114 1.00 90.48 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.810 -3.039 10.503 1.00 87.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.872 -0.588 12.189 1.00 86.10 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.420 0.474 13.128 1.00 82.68 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.285 0.818 14.490 1.00 77.24 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.190 2.104 15.331 1.00 64.42 1 A 1 ATOM 9 N N . GLN A 1 2 ? -12.892 -1.490 8.888 1.00 90.94 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -12.194 -2.318 7.918 1.00 91.49 2 A 1 ATOM 11 C C . GLN A 1 2 ? -10.697 -1.995 7.919 1.00 91.80 2 A 1 ATOM 12 O O . GLN A 1 2 ? -10.282 -0.921 8.349 1.00 88.72 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -12.773 -2.100 6.526 1.00 87.60 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -14.210 -2.566 6.402 1.00 78.54 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -14.719 -2.486 4.980 1.00 75.48 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -14.112 -3.019 4.063 1.00 69.80 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -15.838 -1.815 4.779 1.00 66.31 2 A 1 ATOM 18 N N . HIS A 1 3 ? -9.892 -2.931 7.435 1.00 93.62 3 A 1 ATOM 19 C CA . HIS A 1 3 ? -8.442 -2.778 7.430 1.00 95.08 3 A 1 ATOM 20 C C . HIS A 1 3 ? -7.880 -2.918 6.015 1.00 96.15 3 A 1 ATOM 21 O O . HIS A 1 3 ? -6.670 -3.019 5.824 1.00 94.52 3 A 1 ATOM 22 C CB . HIS A 1 3 ? -7.788 -3.822 8.343 1.00 93.13 3 A 1 ATOM 23 C CG . HIS A 1 3 ? -8.691 -4.330 9.423 1.00 87.18 3 A 1 ATOM 24 N ND1 . HIS A 1 3 ? -9.206 -3.521 10.409 1.00 76.69 3 A 1 ATOM 25 C CD2 . HIS A 1 3 ? -9.184 -5.565 9.653 1.00 74.05 3 A 1 ATOM 26 C CE1 . HIS A 1 3 ? -9.974 -4.251 11.208 1.00 76.62 3 A 1 ATOM 27 N NE2 . HIS A 1 3 ? -9.977 -5.500 10.769 1.00 77.07 3 A 1 ATOM 28 N N . ARG A 1 4 ? -8.769 -2.936 5.031 1.00 94.96 4 A 1 ATOM 29 C CA . ARG A 1 4 ? -8.354 -3.116 3.641 1.00 96.26 4 A 1 ATOM 30 C C . ARG A 1 4 ? -7.711 -1.850 3.093 1.00 97.06 4 A 1 ATOM 31 O O . ARG A 1 4 ? -6.708 -1.910 2.383 1.00 96.24 4 A 1 ATOM 32 C CB . ARG A 1 4 ? -9.554 -3.506 2.779 1.00 95.06 4 A 1 ATOM 33 C CG . ARG A 1 4 ? -10.395 -4.626 3.374 1.00 89.49 4 A 1 ATOM 34 C CD . ARG A 1 4 ? -9.604 -5.909 3.499 1.00 84.28 4 A 1 ATOM 35 N NE . ARG A 1 4 ? -10.381 -6.966 4.127 1.00 78.31 4 A 1 ATOM 36 C CZ . ARG A 1 4 ? -9.970 -8.218 4.248 1.00 75.86 4 A 1 ATOM 37 N NH1 . ARG A 1 4 ? -8.783 -8.575 3.798 1.00 69.17 4 A 1 ATOM 38 N NH2 . ARG A 1 4 ? -10.741 -9.117 4.836 1.00 69.14 4 A 1 ATOM 39 N N . GLY A 1 5 ? -8.281 -0.705 3.424 1.00 95.91 5 A 1 ATOM 40 C CA . GLY A 1 5 ? -7.761 0.577 2.956 1.00 96.40 5 A 1 ATOM 41 C C . GLY A 1 5 ? -6.353 0.843 3.448 1.00 97.22 5 A 1 ATOM 42 O O . GLY A 1 5 ? -5.491 1.277 2.685 1.00 97.05 5 A 1 ATOM 43 N N . PHE A 1 6 ? -6.109 0.569 4.732 1.00 96.71 6 A 1 ATOM 44 C CA . PHE A 1 6 ? -4.789 0.776 5.323 1.00 97.18 6 A 1 ATOM 45 C C . PHE A 1 6 ? -3.755 -0.152 4.698 1.00 97.79 6 A 1 ATOM 46 O O . PHE A 1 6 ? -2.625 0.258 4.429 1.00 97.75 6 A 1 ATOM 47 C CB . PHE A 1 6 ? -4.846 0.553 6.833 1.00 96.81 6 A 1 ATOM 48 C CG . PHE A 1 6 ? -3.538 0.849 7.514 1.00 94.91 6 A 1 ATOM 49 C CD1 . PHE A 1 6 ? -3.138 2.159 7.728 1.00 92.16 6 A 1 ATOM 50 C CD2 . PHE A 1 6 ? -2.712 -0.180 7.929 1.00 91.76 6 A 1 ATOM 51 C CE1 . PHE A 1 6 ? -1.935 2.442 8.346 1.00 90.60 6 A 1 ATOM 52 C CE2 . PHE A 1 6 ? -1.498 0.097 8.549 1.00 90.23 6 A 1 ATOM 53 C CZ . PHE A 1 6 ? -1.113 1.408 8.755 1.00 90.26 6 A 1 ATOM 54 N N . LEU A 1 7 ? -4.148 -1.406 4.464 1.00 97.12 7 A 1 ATOM 55 C CA . LEU A 1 7 ? -3.247 -2.384 3.858 1.00 97.54 7 A 1 ATOM 56 C C . LEU A 1 7 ? -2.841 -1.955 2.452 1.00 97.92 7 A 1 ATOM 57 O O . LEU A 1 7 ? -1.667 -2.027 2.086 1.00 98.01 7 A 1 ATOM 58 C CB . LEU A 1 7 ? -3.918 -3.757 3.807 1.00 97.60 7 A 1 ATOM 59 C CG . LEU A 1 7 ? -4.071 -4.436 5.164 1.00 93.35 7 A 1 ATOM 60 C CD1 . LEU A 1 7 ? -4.984 -5.646 5.054 1.00 90.46 7 A 1 ATOM 61 C CD2 . LEU A 1 7 ? -2.708 -4.856 5.701 1.00 90.80 7 A 1 ATOM 62 N N . LEU A 1 8 ? -3.811 -1.501 1.683 1.00 97.60 8 A 1 ATOM 63 C CA . LEU A 1 8 ? -3.546 -1.049 0.323 1.00 97.78 8 A 1 ATOM 64 C C . LEU A 1 8 ? -2.679 0.203 0.324 1.00 98.03 8 A 1 ATOM 65 O O . LEU A 1 8 ? -1.750 0.327 -0.476 1.00 98.12 8 A 1 ATOM 66 C CB . LEU A 1 8 ? -4.865 -0.772 -0.398 1.00 97.74 8 A 1 ATOM 67 C CG . LEU A 1 8 ? -5.678 -2.023 -0.718 1.00 92.34 8 A 1 ATOM 68 C CD1 . LEU A 1 8 ? -7.084 -1.643 -1.160 1.00 90.72 8 A 1 ATOM 69 C CD2 . LEU A 1 8 ? -4.988 -2.832 -1.811 1.00 91.20 8 A 1 ATOM 70 N N . LEU A 1 9 ? -2.979 1.128 1.226 1.00 97.91 9 A 1 ATOM 71 C CA . LEU A 1 9 ? -2.211 2.364 1.342 1.00 98.02 9 A 1 ATOM 72 C C . LEU A 1 9 ? -0.772 2.075 1.748 1.00 98.26 9 A 1 ATOM 73 O O . LEU A 1 9 ? 0.168 2.654 1.201 1.00 98.34 9 A 1 ATOM 74 C CB . LEU A 1 9 ? -2.860 3.288 2.372 1.00 97.77 9 A 1 ATOM 75 C CG . LEU A 1 9 ? -2.245 4.684 2.417 1.00 90.88 9 A 1 ATOM 76 C CD1 . LEU A 1 9 ? -2.651 5.485 1.188 1.00 90.25 9 A 1 ATOM 77 C CD2 . LEU A 1 9 ? -2.666 5.408 3.684 1.00 90.56 9 A 1 ATOM 78 N N . THR A 1 10 ? -0.597 1.178 2.710 1.00 98.08 10 A 1 ATOM 79 C CA . THR A 1 10 ? 0.731 0.804 3.191 1.00 98.12 10 A 1 ATOM 80 C C . THR A 1 10 ? 1.533 0.123 2.087 1.00 98.40 10 A 1 ATOM 81 O O . THR A 1 10 ? 2.722 0.403 1.908 1.00 98.33 10 A 1 ATOM 82 C CB . THR A 1 10 ? 0.626 -0.137 4.397 1.00 97.82 10 A 1 ATOM 83 O OG1 . THR A 1 10 ? -0.129 0.486 5.430 1.00 93.85 10 A 1 ATOM 84 C CG2 . THR A 1 10 ? 2.007 -0.470 4.941 1.00 92.29 10 A 1 ATOM 85 N N . LEU A 1 11 ? 0.884 -0.765 1.348 1.00 97.97 11 A 1 ATOM 86 C CA . LEU A 1 11 ? 1.537 -1.474 0.251 1.00 98.11 11 A 1 ATOM 87 C C . LEU A 1 11 ? 2.010 -0.495 -0.815 1.00 98.37 11 A 1 ATOM 88 O O . LEU A 1 11 ? 3.130 -0.591 -1.318 1.00 98.41 11 A 1 ATOM 89 C CB . LEU A 1 11 ? 0.569 -2.501 -0.359 1.00 97.99 11 A 1 ATOM 90 C CG . LEU A 1 11 ? 0.972 -3.957 -0.137 1.00 93.27 11 A 1 ATOM 91 C CD1 . LEU A 1 11 ? 2.287 -4.260 -0.834 1.00 90.78 11 A 1 ATOM 92 C CD2 . LEU A 1 11 ? 1.085 -4.242 1.354 1.00 91.52 11 A 1 ATOM 93 N N . LEU A 1 12 ? 1.143 0.459 -1.150 1.00 98.37 12 A 1 ATOM 94 C CA . LEU A 1 12 ? 1.477 1.463 -2.154 1.00 98.39 12 A 1 ATOM 95 C C . LEU A 1 12 ? 2.626 2.344 -1.673 1.00 98.58 12 A 1 ATOM 96 O O . LEU A 1 12 ? 3.537 2.673 -2.440 1.00 98.55 12 A 1 ATOM 97 C CB . LEU A 1 12 ? 0.238 2.307 -2.463 1.00 98.12 12 A 1 ATOM 98 C CG . LEU A 1 12 ? 0.291 3.023 -3.810 1.00 93.98 12 A 1 ATOM 99 C CD1 . LEU A 1 12 ? -1.118 3.196 -4.367 1.00 91.97 12 A 1 ATOM 100 C CD2 . LEU A 1 12 ? 0.966 4.371 -3.689 1.00 92.50 12 A 1 ATOM 101 N N . ALA A 1 13 ? 2.594 2.722 -0.400 1.00 98.62 13 A 1 ATOM 102 C CA . ALA A 1 13 ? 3.641 3.558 0.182 1.00 98.63 13 A 1 ATOM 103 C C . ALA A 1 13 ? 4.981 2.830 0.204 1.00 98.73 13 A 1 ATOM 104 O O . ALA A 1 13 ? 6.016 3.417 -0.114 1.00 98.56 13 A 1 ATOM 105 C CB . ALA A 1 13 ? 3.247 3.975 1.594 1.00 98.45 13 A 1 ATOM 106 N N . LEU A 1 14 ? 4.963 1.556 0.569 1.00 98.59 14 A 1 ATOM 107 C CA . LEU A 1 14 ? 6.181 0.753 0.616 1.00 98.59 14 A 1 ATOM 108 C C . LEU A 1 14 ? 6.764 0.571 -0.777 1.00 98.69 14 A 1 ATOM 109 O O . LEU A 1 14 ? 7.984 0.627 -0.964 1.00 98.57 14 A 1 ATOM 110 C CB . LEU A 1 14 ? 5.876 -0.611 1.233 1.00 98.38 14 A 1 ATOM 111 C CG . LEU A 1 14 ? 5.585 -0.579 2.730 1.00 95.93 14 A 1 ATOM 112 C CD1 . LEU A 1 14 ? 4.994 -1.902 3.189 1.00 94.17 14 A 1 ATOM 113 C CD2 . LEU A 1 14 ? 6.861 -0.273 3.509 1.00 94.21 14 A 1 ATOM 114 N N . LEU A 1 15 ? 5.891 0.365 -1.751 1.00 98.60 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 6.315 0.186 -3.134 1.00 98.52 15 A 1 ATOM 116 C C . LEU A 1 15 ? 6.978 1.456 -3.656 1.00 98.60 15 A 1 ATOM 117 O O . LEU A 1 15 ? 8.007 1.403 -4.337 1.00 98.46 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 5.107 -0.191 -3.997 1.00 98.31 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 5.428 -1.154 -5.142 1.00 95.71 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? 4.159 -1.837 -5.637 1.00 93.22 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 6.117 -0.439 -6.282 1.00 93.75 15 A 1 ATOM 122 N N . ALA A 1 16 ? 6.401 2.602 -3.328 1.00 98.77 16 A 1 ATOM 123 C CA . ALA A 1 16 ? 6.956 3.885 -3.752 1.00 98.73 16 A 1 ATOM 124 C C . ALA A 1 16 ? 8.264 4.186 -3.023 1.00 98.77 16 A 1 ATOM 125 O O . ALA A 1 16 ? 9.186 4.765 -3.603 1.00 98.53 16 A 1 ATOM 126 C CB . ALA A 1 16 ? 5.943 4.996 -3.504 1.00 98.55 16 A 1 ATOM 127 N N . LEU A 1 17 ? 8.350 3.792 -1.759 1.00 98.54 17 A 1 ATOM 128 C CA . LEU A 1 17 ? 9.543 4.019 -0.948 1.00 98.45 17 A 1 ATOM 129 C C . LEU A 1 17 ? 10.724 3.224 -1.483 1.00 98.49 17 A 1 ATOM 130 O O . LEU A 1 17 ? 11.837 3.746 -1.612 1.00 98.05 17 A 1 ATOM 131 C CB . LEU A 1 17 ? 9.260 3.648 0.508 1.00 98.17 17 A 1 ATOM 132 C CG . LEU A 1 17 ? 10.137 4.375 1.527 1.00 95.75 17 A 1 ATOM 133 C CD1 . LEU A 1 17 ? 9.489 4.345 2.901 1.00 93.20 17 A 1 ATOM 134 C CD2 . LEU A 1 17 ? 11.523 3.770 1.602 1.00 92.58 17 A 1 ATOM 135 N N . THR A 1 18 ? 10.500 1.956 -1.800 1.00 98.15 18 A 1 ATOM 136 C CA . THR A 1 18 ? 11.563 1.095 -2.321 1.00 97.73 18 A 1 ATOM 137 C C . THR A 1 18 ? 11.974 1.506 -3.730 1.00 97.56 18 A 1 ATOM 138 O O . THR A 1 18 ? 13.073 1.187 -4.181 1.00 96.01 18 A 1 ATOM 139 C CB . THR A 1 18 ? 11.127 -0.378 -2.321 1.00 96.83 18 A 1 ATOM 140 O OG1 . THR A 1 18 ? 12.235 -1.206 -2.685 1.00 92.23 18 A 1 ATOM 141 C CG2 . THR A 1 18 ? 10.005 -0.622 -3.302 1.00 91.66 18 A 1 ATOM 142 N N . SER A 1 19 ? 11.097 2.214 -4.416 1.00 97.04 19 A 1 ATOM 143 C CA . SER A 1 19 ? 11.379 2.684 -5.768 1.00 96.24 19 A 1 ATOM 144 C C . SER A 1 19 ? 12.388 3.825 -5.753 1.00 94.90 19 A 1 ATOM 145 O O . SER A 1 19 ? 13.092 4.057 -6.741 1.00 90.35 19 A 1 ATOM 146 C CB . SER A 1 19 ? 10.092 3.150 -6.447 1.00 94.46 19 A 1 ATOM 147 O OG . SER A 1 19 ? 10.338 3.545 -7.778 1.00 83.75 19 A 1 ATOM 148 N N . ALA A 1 20 ? 12.464 4.538 -4.625 1.00 96.09 20 A 1 ATOM 149 C CA . ALA A 1 20 ? 13.380 5.666 -4.478 1.00 94.23 20 A 1 ATOM 150 C C . ALA A 1 20 ? 14.772 5.168 -4.102 1.00 91.57 20 A 1 ATOM 151 O O . ALA A 1 20 ? 15.687 5.251 -4.937 1.00 85.72 20 A 1 ATOM 152 C CB . ALA A 1 20 ? 12.861 6.647 -3.433 1.00 90.92 20 A 1 ATOM 153 O OXT . ALA A 1 20 ? 14.929 4.691 -2.976 1.00 81.27 20 A 1 #