# 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_spkb28691 # _entry.id spkb28691 # 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" "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" "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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LYS 2 1 n TYR 3 1 n LEU 4 1 n LYS 5 1 n GLY 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n PRO 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n ALA 14 1 n LEU 15 1 n ALA 16 1 n PRO 17 1 n SER 18 1 n ALA 19 1 n THR 20 1 n ALA 21 # _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 @ 2025-07-02 15:59:23)" _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 87.29 _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 85.76 1 1 A LYS 2 2 85.71 1 2 A TYR 3 2 90.70 1 3 A LEU 4 2 92.30 1 4 A LYS 5 2 86.22 1 5 A GLY 6 2 93.10 1 6 A LEU 7 2 90.49 1 7 A LEU 8 2 89.95 1 8 A LEU 9 2 88.13 1 9 A PRO 10 2 92.41 1 10 A ALA 11 2 93.33 1 11 A LEU 12 2 89.00 1 12 A LEU 13 2 88.76 1 13 A ALA 14 2 92.61 1 14 A LEU 15 2 88.67 1 15 A ALA 16 2 89.47 1 16 A PRO 17 2 88.00 1 17 A SER 18 2 81.00 1 18 A ALA 19 2 83.07 1 19 A THR 20 2 74.74 1 20 A ALA 21 2 67.37 1 21 # _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 TYR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n GLY . 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 PRO . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 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 PRO . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n THR . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -3.111 -1.967 14.466 1.00 92.41 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.714 -1.513 14.413 1.00 92.67 1 A 1 ATOM 3 C C . MET A 1 1 ? -1.534 -0.421 13.366 1.00 92.48 1 A 1 ATOM 4 O O . MET A 1 1 ? -2.138 -0.478 12.297 1.00 88.72 1 A 1 ATOM 5 C CB . MET A 1 1 ? -0.782 -2.681 14.082 1.00 88.39 1 A 1 ATOM 6 C CG . MET A 1 1 ? -0.764 -3.750 15.161 1.00 84.91 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.310 -5.130 14.743 1.00 78.45 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.142 -6.111 16.224 1.00 68.07 1 A 1 ATOM 9 N N . LYS A 1 2 ? -0.693 0.566 13.675 1.00 92.22 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.427 1.673 12.760 1.00 92.89 2 A 1 ATOM 11 C C . LYS A 1 2 ? 0.522 1.260 11.638 1.00 93.54 2 A 1 ATOM 12 O O . LYS A 1 2 ? 0.614 1.944 10.617 1.00 92.18 2 A 1 ATOM 13 C CB . LYS A 1 2 ? 0.148 2.867 13.522 1.00 90.65 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 1.445 2.575 14.252 1.00 84.35 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 1.983 3.823 14.935 1.00 82.03 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 3.276 3.539 15.682 1.00 74.84 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 3.047 2.641 16.836 1.00 68.66 2 A 1 ATOM 18 N N . TYR A 1 3 ? 1.223 0.157 11.832 1.00 93.32 3 A 1 ATOM 19 C CA . TYR A 1 3 ? 2.183 -0.331 10.845 1.00 93.70 3 A 1 ATOM 20 C C . TYR A 1 3 ? 1.484 -0.874 9.603 1.00 94.38 3 A 1 ATOM 21 O O . TYR A 1 3 ? 2.019 -0.798 8.498 1.00 93.18 3 A 1 ATOM 22 C CB . TYR A 1 3 ? 3.066 -1.421 11.463 1.00 92.88 3 A 1 ATOM 23 C CG . TYR A 1 3 ? 3.926 -0.915 12.603 1.00 91.54 3 A 1 ATOM 24 C CD1 . TYR A 1 3 ? 5.089 -0.199 12.348 1.00 88.65 3 A 1 ATOM 25 C CD2 . TYR A 1 3 ? 3.568 -1.153 13.917 1.00 88.44 3 A 1 ATOM 26 C CE1 . TYR A 1 3 ? 5.880 0.270 13.386 1.00 87.78 3 A 1 ATOM 27 C CE2 . TYR A 1 3 ? 4.352 -0.682 14.967 1.00 88.26 3 A 1 ATOM 28 C CZ . TYR A 1 3 ? 5.506 0.024 14.694 1.00 88.87 3 A 1 ATOM 29 O OH . TYR A 1 3 ? 6.278 0.487 15.728 1.00 87.35 3 A 1 ATOM 30 N N . LEU A 1 4 ? 0.268 -1.403 9.775 1.00 94.60 4 A 1 ATOM 31 C CA . LEU A 1 4 ? -0.509 -1.913 8.650 1.00 94.73 4 A 1 ATOM 32 C C . LEU A 1 4 ? -0.856 -0.790 7.679 1.00 95.02 4 A 1 ATOM 33 O O . LEU A 1 4 ? -0.713 -0.934 6.464 1.00 94.27 4 A 1 ATOM 34 C CB . LEU A 1 4 ? -1.782 -2.597 9.144 1.00 94.80 4 A 1 ATOM 35 C CG . LEU A 1 4 ? -1.602 -4.064 9.526 1.00 92.09 4 A 1 ATOM 36 C CD1 . LEU A 1 4 ? -0.690 -4.217 10.740 1.00 87.29 4 A 1 ATOM 37 C CD2 . LEU A 1 4 ? -2.946 -4.712 9.802 1.00 85.60 4 A 1 ATOM 38 N N . LYS A 1 5 ? -1.308 0.333 8.225 1.00 93.16 5 A 1 ATOM 39 C CA . LYS A 1 5 ? -1.649 1.495 7.406 1.00 92.74 5 A 1 ATOM 40 C C . LYS A 1 5 ? -0.385 2.136 6.843 1.00 92.75 5 A 1 ATOM 41 O O . LYS A 1 5 ? -0.401 2.689 5.744 1.00 92.36 5 A 1 ATOM 42 C CB . LYS A 1 5 ? -2.434 2.515 8.228 1.00 91.56 5 A 1 ATOM 43 C CG . LYS A 1 5 ? -3.932 2.231 8.295 1.00 86.03 5 A 1 ATOM 44 C CD . LYS A 1 5 ? -4.250 0.922 8.993 1.00 81.94 5 A 1 ATOM 45 C CE . LYS A 1 5 ? -5.743 0.674 9.088 1.00 76.15 5 A 1 ATOM 46 N NZ . LYS A 1 5 ? -6.039 -0.634 9.720 1.00 69.29 5 A 1 ATOM 47 N N . GLY A 1 6 ? 0.699 2.058 7.593 1.00 93.49 6 A 1 ATOM 48 C CA . GLY A 1 6 ? 1.972 2.625 7.165 1.00 92.95 6 A 1 ATOM 49 C C . GLY A 1 6 ? 2.737 1.724 6.212 1.00 93.72 6 A 1 ATOM 50 O O . GLY A 1 6 ? 3.831 2.075 5.776 1.00 92.23 6 A 1 ATOM 51 N N . LEU A 1 7 ? 2.168 0.558 5.901 1.00 93.63 7 A 1 ATOM 52 C CA . LEU A 1 7 ? 2.791 -0.395 4.988 1.00 93.47 7 A 1 ATOM 53 C C . LEU A 1 7 ? 1.920 -0.662 3.765 1.00 94.34 7 A 1 ATOM 54 O O . LEU A 1 7 ? 2.426 -0.764 2.646 1.00 92.97 7 A 1 ATOM 55 C CB . LEU A 1 7 ? 3.080 -1.712 5.715 1.00 92.72 7 A 1 ATOM 56 C CG . LEU A 1 7 ? 4.221 -1.646 6.735 1.00 88.44 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? 4.271 -2.922 7.560 1.00 84.93 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? 5.553 -1.422 6.041 1.00 83.41 7 A 1 ATOM 59 N N . LEU A 1 8 ? 0.610 -0.781 3.979 1.00 92.77 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -0.320 -1.056 2.890 1.00 92.75 8 A 1 ATOM 61 C C . LEU A 1 8 ? -0.383 0.094 1.893 1.00 93.55 8 A 1 ATOM 62 O O . LEU A 1 8 ? -0.393 -0.128 0.680 1.00 92.85 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -1.715 -1.334 3.452 1.00 92.45 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -1.850 -2.658 4.205 1.00 87.24 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -3.174 -2.719 4.945 1.00 84.19 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -1.728 -3.835 3.250 1.00 83.81 8 A 1 ATOM 67 N N . LEU A 1 9 ? -0.418 1.310 2.411 1.00 91.77 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -0.483 2.491 1.552 1.00 91.46 9 A 1 ATOM 69 C C . LEU A 1 9 ? 0.788 2.660 0.708 1.00 92.38 9 A 1 ATOM 70 O O . LEU A 1 9 ? 0.689 2.822 -0.514 1.00 91.81 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -0.770 3.737 2.399 1.00 90.31 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -1.103 4.988 1.591 1.00 84.25 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? -2.396 4.804 0.812 1.00 82.36 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -1.212 6.194 2.517 1.00 80.68 9 A 1 ATOM 75 N N . PRO A 1 10 ? 1.979 2.616 1.323 1.00 93.28 10 A 1 ATOM 76 C CA . PRO A 1 10 ? 3.225 2.721 0.549 1.00 92.95 10 A 1 ATOM 77 C C . PRO A 1 10 ? 3.417 1.547 -0.402 1.00 93.81 10 A 1 ATOM 78 O O . PRO A 1 10 ? 4.001 1.707 -1.476 1.00 92.98 10 A 1 ATOM 79 C CB . PRO A 1 10 ? 4.330 2.730 1.617 1.00 91.37 10 A 1 ATOM 80 C CG . PRO A 1 10 ? 3.644 3.142 2.871 1.00 90.08 10 A 1 ATOM 81 C CD . PRO A 1 10 ? 2.242 2.595 2.754 1.00 92.39 10 A 1 ATOM 82 N N . ALA A 1 11 ? 2.927 0.363 -0.019 1.00 93.21 11 A 1 ATOM 83 C CA . ALA A 1 11 ? 3.025 -0.820 -0.867 1.00 93.37 11 A 1 ATOM 84 C C . ALA A 1 11 ? 2.246 -0.620 -2.163 1.00 94.34 11 A 1 ATOM 85 O O . ALA A 1 11 ? 2.696 -1.027 -3.236 1.00 92.80 11 A 1 ATOM 86 C CB . ALA A 1 11 ? 2.504 -2.046 -0.125 1.00 92.95 11 A 1 ATOM 87 N N . LEU A 1 12 ? 1.077 0.013 -2.061 1.00 91.96 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 0.258 0.314 -3.228 1.00 91.48 12 A 1 ATOM 89 C C . LEU A 1 12 ? 0.952 1.339 -4.115 1.00 92.47 12 A 1 ATOM 90 O O . LEU A 1 12 ? 0.892 1.256 -5.343 1.00 91.15 12 A 1 ATOM 91 C CB . LEU A 1 12 ? -1.107 0.841 -2.788 1.00 90.61 12 A 1 ATOM 92 C CG . LEU A 1 12 ? -2.101 1.065 -3.924 1.00 87.20 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? -2.479 -0.251 -4.579 1.00 83.87 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? -3.344 1.775 -3.410 1.00 83.25 12 A 1 ATOM 95 N N . LEU A 1 13 ? 1.621 2.290 -3.488 1.00 92.24 13 A 1 ATOM 96 C CA . LEU A 1 13 ? 2.360 3.327 -4.201 1.00 91.54 13 A 1 ATOM 97 C C . LEU A 1 13 ? 3.527 2.719 -4.967 1.00 92.66 13 A 1 ATOM 98 O O . LEU A 1 13 ? 3.858 3.166 -6.068 1.00 91.60 13 A 1 ATOM 99 C CB . LEU A 1 13 ? 2.846 4.394 -3.214 1.00 90.38 13 A 1 ATOM 100 C CG . LEU A 1 13 ? 3.442 5.648 -3.854 1.00 85.48 13 A 1 ATOM 101 C CD1 . LEU A 1 13 ? 3.081 6.879 -3.034 1.00 82.96 13 A 1 ATOM 102 C CD2 . LEU A 1 13 ? 4.953 5.538 -3.964 1.00 83.20 13 A 1 ATOM 103 N N . ALA A 1 14 ? 4.153 1.695 -4.394 1.00 93.50 14 A 1 ATOM 104 C CA . ALA A 1 14 ? 5.267 1.010 -5.036 1.00 92.92 14 A 1 ATOM 105 C C . ALA A 1 14 ? 4.793 0.200 -6.240 1.00 93.68 14 A 1 ATOM 106 O O . ALA A 1 14 ? 5.516 0.061 -7.227 1.00 91.27 14 A 1 ATOM 107 C CB . ALA A 1 14 ? 5.970 0.103 -4.031 1.00 91.69 14 A 1 ATOM 108 N N . LEU A 1 15 ? 3.564 -0.328 -6.153 1.00 93.26 15 A 1 ATOM 109 C CA . LEU A 1 15 ? 2.981 -1.113 -7.236 1.00 92.43 15 A 1 ATOM 110 C C . LEU A 1 15 ? 2.467 -0.217 -8.351 1.00 92.85 15 A 1 ATOM 111 O O . LEU A 1 15 ? 2.769 -0.438 -9.531 1.00 90.20 15 A 1 ATOM 112 C CB . LEU A 1 15 ? 1.848 -1.984 -6.698 1.00 91.20 15 A 1 ATOM 113 C CG . LEU A 1 15 ? 1.228 -2.940 -7.720 1.00 85.28 15 A 1 ATOM 114 C CD1 . LEU A 1 15 ? 2.241 -3.977 -8.170 1.00 81.63 15 A 1 ATOM 115 C CD2 . LEU A 1 15 ? 0.004 -3.619 -7.125 1.00 82.47 15 A 1 ATOM 116 N N . ALA A 1 16 ? 1.692 0.789 -7.985 1.00 91.32 16 A 1 ATOM 117 C CA . ALA A 1 16 ? 1.123 1.727 -8.947 1.00 90.11 16 A 1 ATOM 118 C C . ALA A 1 16 ? 1.182 3.151 -8.405 1.00 90.22 16 A 1 ATOM 119 O O . ALA A 1 16 ? 0.217 3.638 -7.810 1.00 87.98 16 A 1 ATOM 120 C CB . ALA A 1 16 ? -0.314 1.330 -9.276 1.00 87.70 16 A 1 ATOM 121 N N . PRO A 1 17 ? 2.318 3.830 -8.596 1.00 90.39 17 A 1 ATOM 122 C CA . PRO A 1 17 ? 2.511 5.193 -8.094 1.00 89.63 17 A 1 ATOM 123 C C . PRO A 1 17 ? 1.597 6.195 -8.785 1.00 89.74 17 A 1 ATOM 124 O O . PRO A 1 17 ? 1.321 6.081 -9.979 1.00 85.95 17 A 1 ATOM 125 C CB . PRO A 1 17 ? 3.983 5.506 -8.405 1.00 86.85 17 A 1 ATOM 126 C CG . PRO A 1 17 ? 4.608 4.203 -8.775 1.00 85.28 17 A 1 ATOM 127 C CD . PRO A 1 17 ? 3.506 3.328 -9.289 1.00 88.17 17 A 1 ATOM 128 N N . SER A 1 18 ? 1.146 7.198 -8.036 1.00 85.12 18 A 1 ATOM 129 C CA . SER A 1 18 ? 0.287 8.249 -8.557 1.00 83.96 18 A 1 ATOM 130 C C . SER A 1 18 ? 0.565 9.550 -7.815 1.00 83.97 18 A 1 ATOM 131 O O . SER A 1 18 ? 1.126 9.542 -6.721 1.00 80.26 18 A 1 ATOM 132 C CB . SER A 1 18 ? -1.181 7.861 -8.416 1.00 81.08 18 A 1 ATOM 133 O OG . SER A 1 18 ? -1.469 6.715 -9.201 1.00 71.60 18 A 1 ATOM 134 N N . ALA A 1 19 ? 0.180 10.680 -8.420 1.00 84.64 19 A 1 ATOM 135 C CA . ALA A 1 19 ? 0.398 11.991 -7.817 1.00 83.63 19 A 1 ATOM 136 C C . ALA A 1 19 ? -0.564 12.249 -6.665 1.00 84.17 19 A 1 ATOM 137 O O . ALA A 1 19 ? -0.392 13.196 -5.899 1.00 81.10 19 A 1 ATOM 138 C CB . ALA A 1 19 ? 0.255 13.080 -8.875 1.00 81.82 19 A 1 ATOM 139 N N . THR A 1 20 ? -1.578 11.408 -6.547 1.00 80.25 20 A 1 ATOM 140 C CA . THR A 1 20 ? -2.579 11.534 -5.496 1.00 78.19 20 A 1 ATOM 141 C C . THR A 1 20 ? -2.470 10.388 -4.498 1.00 77.49 20 A 1 ATOM 142 O O . THR A 1 20 ? -2.138 9.260 -4.861 1.00 72.86 20 A 1 ATOM 143 C CB . THR A 1 20 ? -3.994 11.559 -6.087 1.00 75.60 20 A 1 ATOM 144 O OG1 . THR A 1 20 ? -4.193 10.423 -6.916 1.00 69.72 20 A 1 ATOM 145 C CG2 . THR A 1 20 ? -4.215 12.815 -6.906 1.00 69.04 20 A 1 ATOM 146 N N . ALA A 1 21 ? -2.743 10.701 -3.241 1.00 73.78 21 A 1 ATOM 147 C CA . ALA A 1 21 ? -2.663 9.708 -2.185 1.00 70.94 21 A 1 ATOM 148 C C . ALA A 1 21 ? -3.965 9.677 -1.392 1.00 68.46 21 A 1 ATOM 149 O O . ALA A 1 21 ? -4.542 10.743 -1.129 1.00 64.03 21 A 1 ATOM 150 C CB . ALA A 1 21 ? -1.482 10.005 -1.263 1.00 65.18 21 A 1 ATOM 151 O OXT . ALA A 1 21 ? -4.403 8.576 -1.009 1.00 61.83 21 A 1 #