# 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_spkb43647 # _entry.id spkb43647 # 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 "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" "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" # _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 LEU 4 1 n SER 5 1 n LEU 6 1 n LEU 7 1 n HIS 8 1 n PHE 9 1 n PHE 10 1 n HIS 11 1 n PRO 12 1 n SER 13 1 n LEU 14 1 n ILE 15 1 n PRO 16 1 n SER 17 1 n LEU 18 1 n SER 19 1 n LEU 20 1 n SER 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 @ 2025-07-08 22:52:03)" _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 84.61 _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 77.43 1 1 A PHE 2 2 83.77 1 2 A LEU 3 2 86.58 1 3 A LEU 4 2 85.68 1 4 A SER 5 2 88.12 1 5 A LEU 6 2 90.54 1 6 A LEU 7 2 88.29 1 7 A HIS 8 2 84.81 1 8 A PHE 9 2 91.07 1 9 A PHE 10 2 88.09 1 10 A HIS 11 2 84.66 1 11 A PRO 12 2 90.79 1 12 A SER 13 2 88.98 1 13 A LEU 14 2 84.09 1 14 A ILE 15 2 82.75 1 15 A PRO 16 2 88.73 1 16 A SER 17 2 81.78 1 17 A LEU 18 2 82.22 1 18 A SER 19 2 79.05 1 19 A LEU 20 2 76.56 1 20 A SER 21 2 68.48 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 PHE . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n HIS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n HIS . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 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 ? -1.675 9.214 -7.414 1.00 81.84 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.521 8.401 -7.844 1.00 85.06 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.938 6.947 -8.040 1.00 84.62 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.584 6.363 -7.175 1.00 83.81 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.597 8.474 -6.798 1.00 78.66 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.223 9.868 -6.731 1.00 73.20 1 A 1 ATOM 7 S SD . MET A 1 1 ? 2.680 9.915 -5.675 1.00 70.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? 3.241 11.594 -5.976 1.00 61.93 1 A 1 ATOM 9 N N . PHE A 1 2 ? -0.574 6.385 -9.180 1.00 79.90 2 A 1 ATOM 10 C CA . PHE A 1 2 ? -0.915 4.997 -9.496 1.00 86.57 2 A 1 ATOM 11 C C . PHE A 1 2 ? 0.101 4.020 -8.900 1.00 88.74 2 A 1 ATOM 12 O O . PHE A 1 2 ? -0.219 2.860 -8.664 1.00 87.83 2 A 1 ATOM 13 C CB . PHE A 1 2 ? -0.984 4.826 -11.022 1.00 84.48 2 A 1 ATOM 14 C CG . PHE A 1 2 ? -2.135 5.586 -11.643 1.00 84.06 2 A 1 ATOM 15 C CD1 . PHE A 1 2 ? -1.979 6.900 -12.049 1.00 82.54 2 A 1 ATOM 16 C CD2 . PHE A 1 2 ? -3.367 4.971 -11.806 1.00 82.61 2 A 1 ATOM 17 C CE1 . PHE A 1 2 ? -3.041 7.605 -12.613 1.00 82.04 2 A 1 ATOM 18 C CE2 . PHE A 1 2 ? -4.435 5.666 -12.372 1.00 81.01 2 A 1 ATOM 19 C CZ . PHE A 1 2 ? -4.271 6.983 -12.775 1.00 81.67 2 A 1 ATOM 20 N N . LEU A 1 3 ? 1.316 4.476 -8.667 1.00 88.54 3 A 1 ATOM 21 C CA . LEU A 1 3 ? 2.371 3.621 -8.115 1.00 90.18 3 A 1 ATOM 22 C C . LEU A 1 3 ? 1.988 3.103 -6.729 1.00 90.14 3 A 1 ATOM 23 O O . LEU A 1 3 ? 2.300 1.974 -6.366 1.00 89.97 3 A 1 ATOM 24 C CB . LEU A 1 3 ? 3.696 4.401 -8.056 1.00 89.12 3 A 1 ATOM 25 C CG . LEU A 1 3 ? 4.603 4.205 -9.282 1.00 83.23 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? 5.115 2.777 -9.319 1.00 80.65 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? 3.847 4.528 -10.566 1.00 80.81 3 A 1 ATOM 28 N N . LEU A 1 4 ? 1.312 3.935 -5.947 1.00 90.23 4 A 1 ATOM 29 C CA . LEU A 1 4 ? 0.886 3.538 -4.603 1.00 89.29 4 A 1 ATOM 30 C C . LEU A 1 4 ? -0.120 2.391 -4.665 1.00 89.34 4 A 1 ATOM 31 O O . LEU A 1 4 ? -0.071 1.465 -3.855 1.00 88.87 4 A 1 ATOM 32 C CB . LEU A 1 4 ? 0.275 4.742 -3.879 1.00 87.19 4 A 1 ATOM 33 C CG . LEU A 1 4 ? 1.304 5.818 -3.513 1.00 82.26 4 A 1 ATOM 34 C CD1 . LEU A 1 4 ? 0.591 7.079 -3.042 1.00 78.80 4 A 1 ATOM 35 C CD2 . LEU A 1 4 ? 2.241 5.312 -2.422 1.00 79.44 4 A 1 ATOM 36 N N . SER A 1 5 ? -1.028 2.448 -5.619 1.00 89.41 5 A 1 ATOM 37 C CA . SER A 1 5 ? -2.035 1.400 -5.782 1.00 89.72 5 A 1 ATOM 38 C C . SER A 1 5 ? -1.382 0.073 -6.171 1.00 90.86 5 A 1 ATOM 39 O O . SER A 1 5 ? -1.745 -0.979 -5.650 1.00 88.74 5 A 1 ATOM 40 C CB . SER A 1 5 ? -3.057 1.815 -6.844 1.00 88.18 5 A 1 ATOM 41 O OG . SER A 1 5 ? -3.771 2.962 -6.414 1.00 81.81 5 A 1 ATOM 42 N N . LEU A 1 6 ? -0.415 0.136 -7.073 1.00 92.07 6 A 1 ATOM 43 C CA . LEU A 1 6 ? 0.291 -1.069 -7.516 1.00 92.71 6 A 1 ATOM 44 C C . LEU A 1 6 ? 1.098 -1.671 -6.369 1.00 92.51 6 A 1 ATOM 45 O O . LEU A 1 6 ? 1.120 -2.887 -6.188 1.00 91.55 6 A 1 ATOM 46 C CB . LEU A 1 6 ? 1.217 -0.720 -8.690 1.00 92.56 6 A 1 ATOM 47 C CG . LEU A 1 6 ? 0.467 -0.449 -9.995 1.00 89.49 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? 1.409 0.166 -11.022 1.00 86.13 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -0.119 -1.750 -10.548 1.00 87.28 6 A 1 ATOM 50 N N . LEU A 1 7 ? 1.751 -0.831 -5.591 1.00 92.38 7 A 1 ATOM 51 C CA . LEU A 1 7 ? 2.554 -1.292 -4.461 1.00 91.42 7 A 1 ATOM 52 C C . LEU A 1 7 ? 1.677 -2.006 -3.435 1.00 91.13 7 A 1 ATOM 53 O O . LEU A 1 7 ? 2.072 -3.026 -2.875 1.00 90.19 7 A 1 ATOM 54 C CB . LEU A 1 7 ? 3.257 -0.103 -3.804 1.00 90.33 7 A 1 ATOM 55 C CG . LEU A 1 7 ? 4.226 -0.505 -2.692 1.00 86.51 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? 5.434 -1.231 -3.268 1.00 81.84 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? 4.684 0.735 -1.930 1.00 82.54 7 A 1 ATOM 58 N N . HIS A 1 8 ? 0.498 -1.474 -3.191 1.00 89.49 8 A 1 ATOM 59 C CA . HIS A 1 8 ? -0.431 -2.070 -2.226 1.00 89.94 8 A 1 ATOM 60 C C . HIS A 1 8 ? -0.913 -3.442 -2.702 1.00 91.10 8 A 1 ATOM 61 O O . HIS A 1 8 ? -1.153 -4.339 -1.893 1.00 90.08 8 A 1 ATOM 62 C CB . HIS A 1 8 ? -1.630 -1.144 -2.025 1.00 88.30 8 A 1 ATOM 63 C CG . HIS A 1 8 ? -2.564 -1.669 -0.977 1.00 85.08 8 A 1 ATOM 64 N ND1 . HIS A 1 8 ? -3.716 -2.358 -1.270 1.00 76.41 8 A 1 ATOM 65 C CD2 . HIS A 1 8 ? -2.495 -1.603 0.371 1.00 80.12 8 A 1 ATOM 66 C CE1 . HIS A 1 8 ? -4.318 -2.693 -0.133 1.00 78.11 8 A 1 ATOM 67 N NE2 . HIS A 1 8 ? -3.599 -2.248 0.883 1.00 79.51 8 A 1 ATOM 68 N N . PHE A 1 9 ? -1.052 -3.607 -4.003 1.00 92.02 9 A 1 ATOM 69 C CA . PHE A 1 9 ? -1.498 -4.879 -4.571 1.00 92.91 9 A 1 ATOM 70 C C . PHE A 1 9 ? -0.430 -5.961 -4.410 1.00 93.75 9 A 1 ATOM 71 O O . PHE A 1 9 ? -0.742 -7.100 -4.067 1.00 92.66 9 A 1 ATOM 72 C CB . PHE A 1 9 ? -1.838 -4.692 -6.052 1.00 92.59 9 A 1 ATOM 73 C CG . PHE A 1 9 ? -2.327 -5.972 -6.693 1.00 92.04 9 A 1 ATOM 74 C CD1 . PHE A 1 9 ? -3.612 -6.429 -6.445 1.00 88.79 9 A 1 ATOM 75 C CD2 . PHE A 1 9 ? -1.491 -6.705 -7.523 1.00 89.22 9 A 1 ATOM 76 C CE1 . PHE A 1 9 ? -4.071 -7.609 -7.020 1.00 88.66 9 A 1 ATOM 77 C CE2 . PHE A 1 9 ? -1.944 -7.893 -8.101 1.00 89.12 9 A 1 ATOM 78 C CZ . PHE A 1 9 ? -3.230 -8.344 -7.850 1.00 90.02 9 A 1 ATOM 79 N N . PHE A 1 10 ? 0.832 -5.594 -4.656 1.00 92.11 10 A 1 ATOM 80 C CA . PHE A 1 10 ? 1.932 -6.555 -4.548 1.00 91.69 10 A 1 ATOM 81 C C . PHE A 1 10 ? 2.365 -6.752 -3.097 1.00 92.50 10 A 1 ATOM 82 O O . PHE A 1 10 ? 2.703 -7.862 -2.689 1.00 91.55 10 A 1 ATOM 83 C CB . PHE A 1 10 ? 3.125 -6.078 -5.383 1.00 91.05 10 A 1 ATOM 84 C CG . PHE A 1 10 ? 2.905 -6.282 -6.863 1.00 87.93 10 A 1 ATOM 85 C CD1 . PHE A 1 10 ? 2.326 -5.290 -7.629 1.00 83.71 10 A 1 ATOM 86 C CD2 . PHE A 1 10 ? 3.281 -7.477 -7.462 1.00 84.76 10 A 1 ATOM 87 C CE1 . PHE A 1 10 ? 2.117 -5.479 -8.988 1.00 83.99 10 A 1 ATOM 88 C CE2 . PHE A 1 10 ? 3.074 -7.670 -8.822 1.00 84.51 10 A 1 ATOM 89 C CZ . PHE A 1 10 ? 2.493 -6.673 -9.582 1.00 85.21 10 A 1 ATOM 90 N N . HIS A 1 11 ? 2.356 -5.685 -2.319 1.00 90.11 11 A 1 ATOM 91 C CA . HIS A 1 11 ? 2.756 -5.751 -0.914 1.00 91.01 11 A 1 ATOM 92 C C . HIS A 1 11 ? 1.782 -4.957 -0.035 1.00 91.92 11 A 1 ATOM 93 O O . HIS A 1 11 ? 2.070 -3.825 0.365 1.00 91.14 11 A 1 ATOM 94 C CB . HIS A 1 11 ? 4.187 -5.216 -0.752 1.00 88.78 11 A 1 ATOM 95 C CG . HIS A 1 11 ? 5.206 -6.318 -0.669 1.00 83.17 11 A 1 ATOM 96 N ND1 . HIS A 1 11 ? 5.457 -7.032 0.472 1.00 76.30 11 A 1 ATOM 97 C CD2 . HIS A 1 11 ? 6.040 -6.808 -1.617 1.00 78.00 11 A 1 ATOM 98 C CE1 . HIS A 1 11 ? 6.412 -7.935 0.207 1.00 77.33 11 A 1 ATOM 99 N NE2 . HIS A 1 11 ? 6.786 -7.821 -1.043 1.00 78.84 11 A 1 ATOM 100 N N . PRO A 1 12 ? 0.636 -5.539 0.296 1.00 92.14 12 A 1 ATOM 101 C CA . PRO A 1 12 ? -0.369 -4.867 1.135 1.00 92.01 12 A 1 ATOM 102 C C . PRO A 1 12 ? 0.094 -4.687 2.577 1.00 91.95 12 A 1 ATOM 103 O O . PRO A 1 12 ? -0.482 -3.891 3.321 1.00 89.19 12 A 1 ATOM 104 C CB . PRO A 1 12 ? -1.582 -5.801 1.056 1.00 89.91 12 A 1 ATOM 105 C CG . PRO A 1 12 ? -0.997 -7.139 0.729 1.00 88.82 12 A 1 ATOM 106 C CD . PRO A 1 12 ? 0.215 -6.862 -0.133 1.00 91.51 12 A 1 ATOM 107 N N . SER A 1 13 ? 1.130 -5.417 2.977 1.00 92.56 13 A 1 ATOM 108 C CA . SER A 1 13 ? 1.658 -5.313 4.338 1.00 92.09 13 A 1 ATOM 109 C C . SER A 1 13 ? 2.386 -3.991 4.568 1.00 91.56 13 A 1 ATOM 110 O O . SER A 1 13 ? 2.472 -3.511 5.695 1.00 87.69 13 A 1 ATOM 111 C CB . SER A 1 13 ? 2.614 -6.473 4.621 1.00 89.26 13 A 1 ATOM 112 O OG . SER A 1 13 ? 2.991 -6.466 5.982 1.00 80.73 13 A 1 ATOM 113 N N . LEU A 1 14 ? 2.902 -3.397 3.512 1.00 88.65 14 A 1 ATOM 114 C CA . LEU A 1 14 ? 3.630 -2.130 3.615 1.00 88.06 14 A 1 ATOM 115 C C . LEU A 1 14 ? 2.695 -0.975 3.934 1.00 88.62 14 A 1 ATOM 116 O O . LEU A 1 14 ? 3.057 -0.063 4.677 1.00 87.97 14 A 1 ATOM 117 C CB . LEU A 1 14 ? 4.373 -1.855 2.307 1.00 85.69 14 A 1 ATOM 118 C CG . LEU A 1 14 ? 5.596 -2.741 2.103 1.00 81.65 14 A 1 ATOM 119 C CD1 . LEU A 1 14 ? 6.095 -2.620 0.673 1.00 77.75 14 A 1 ATOM 120 C CD2 . LEU A 1 14 ? 6.700 -2.339 3.071 1.00 74.31 14 A 1 ATOM 121 N N . ILE A 1 15 ? 1.500 -1.010 3.382 1.00 86.03 15 A 1 ATOM 122 C CA . ILE A 1 15 ? 0.528 0.062 3.595 1.00 86.42 15 A 1 ATOM 123 C C . ILE A 1 15 ? -0.692 -0.464 4.349 1.00 85.39 15 A 1 ATOM 124 O O . ILE A 1 15 ? -1.559 -1.105 3.760 1.00 84.26 15 A 1 ATOM 125 C CB . ILE A 1 15 ? 0.096 0.673 2.256 1.00 83.94 15 A 1 ATOM 126 C CG1 . ILE A 1 15 ? 1.318 1.170 1.485 1.00 81.58 15 A 1 ATOM 127 C CG2 . ILE A 1 15 ? -0.877 1.829 2.504 1.00 79.67 15 A 1 ATOM 128 C CD1 . ILE A 1 15 ? 1.010 1.512 0.046 1.00 74.72 15 A 1 ATOM 129 N N . PRO A 1 16 ? -0.787 -0.198 5.660 1.00 91.13 16 A 1 ATOM 130 C CA . PRO A 1 16 ? -1.921 -0.644 6.474 1.00 89.89 16 A 1 ATOM 131 C C . PRO A 1 16 ? -3.193 0.149 6.172 1.00 89.93 16 A 1 ATOM 132 O O . PRO A 1 16 ? -3.148 1.208 5.554 1.00 87.48 16 A 1 ATOM 133 C CB . PRO A 1 16 ? -1.446 -0.387 7.905 1.00 87.41 16 A 1 ATOM 134 C CG . PRO A 1 16 ? -0.467 0.735 7.784 1.00 86.28 16 A 1 ATOM 135 C CD . PRO A 1 16 ? 0.215 0.533 6.448 1.00 89.00 16 A 1 ATOM 136 N N . SER A 1 17 ? -4.321 -0.369 6.622 1.00 85.47 17 A 1 ATOM 137 C CA . SER A 1 17 ? -5.606 0.289 6.381 1.00 85.28 17 A 1 ATOM 138 C C . SER A 1 17 ? -6.064 1.085 7.599 1.00 85.35 17 A 1 ATOM 139 O O . SER A 1 17 ? -6.575 2.195 7.475 1.00 80.35 17 A 1 ATOM 140 C CB . SER A 1 17 ? -6.669 -0.740 6.019 1.00 81.68 17 A 1 ATOM 141 O OG . SER A 1 17 ? -7.848 -0.072 5.617 1.00 72.52 17 A 1 ATOM 142 N N . LEU A 1 18 ? -5.874 0.518 8.797 1.00 87.28 18 A 1 ATOM 143 C CA . LEU A 1 18 ? -6.274 1.179 10.042 1.00 86.13 18 A 1 ATOM 144 C C . LEU A 1 18 ? -5.068 1.661 10.838 1.00 86.75 18 A 1 ATOM 145 O O . LEU A 1 18 ? -5.150 1.826 12.055 1.00 85.87 18 A 1 ATOM 146 C CB . LEU A 1 18 ? -7.106 0.212 10.888 1.00 84.69 18 A 1 ATOM 147 C CG . LEU A 1 18 ? -8.486 -0.052 10.306 1.00 80.89 18 A 1 ATOM 148 C CD1 . LEU A 1 18 ? -9.093 -1.284 10.954 1.00 74.20 18 A 1 ATOM 149 C CD2 . LEU A 1 18 ? -9.388 1.151 10.535 1.00 71.91 18 A 1 ATOM 150 N N . SER A 1 19 ? -3.957 1.898 10.158 1.00 81.98 19 A 1 ATOM 151 C CA . SER A 1 19 ? -2.727 2.371 10.807 1.00 82.21 19 A 1 ATOM 152 C C . SER A 1 19 ? -2.236 1.396 11.875 1.00 81.08 19 A 1 ATOM 153 O O . SER A 1 19 ? -1.515 1.783 12.796 1.00 78.65 19 A 1 ATOM 154 C CB . SER A 1 19 ? -2.949 3.751 11.433 1.00 79.23 19 A 1 ATOM 155 O OG . SER A 1 19 ? -1.717 4.314 11.843 1.00 71.13 19 A 1 ATOM 156 N N . LEU A 1 20 ? -2.632 0.128 11.770 1.00 82.81 20 A 1 ATOM 157 C CA . LEU A 1 20 ? -2.227 -0.893 12.742 1.00 81.19 20 A 1 ATOM 158 C C . LEU A 1 20 ? -2.541 -2.281 12.195 1.00 81.59 20 A 1 ATOM 159 O O . LEU A 1 20 ? -3.703 -2.664 12.093 1.00 79.92 20 A 1 ATOM 160 C CB . LEU A 1 20 ? -2.948 -0.655 14.075 1.00 78.29 20 A 1 ATOM 161 C CG . LEU A 1 20 ? -2.142 -1.075 15.305 1.00 74.59 20 A 1 ATOM 162 C CD1 . LEU A 1 20 ? -2.762 -0.486 16.563 1.00 69.32 20 A 1 ATOM 163 C CD2 . LEU A 1 20 ? -2.077 -2.597 15.418 1.00 64.78 20 A 1 ATOM 164 N N . SER A 1 21 ? -1.502 -3.012 11.854 1.00 77.07 21 A 1 ATOM 165 C CA . SER A 1 21 ? -1.686 -4.359 11.310 1.00 74.42 21 A 1 ATOM 166 C C . SER A 1 21 ? -0.663 -5.321 11.912 1.00 69.17 21 A 1 ATOM 167 O O . SER A 1 21 ? -0.635 -5.493 13.141 1.00 64.13 21 A 1 ATOM 168 C CB . SER A 1 21 ? -1.559 -4.318 9.783 1.00 67.87 21 A 1 ATOM 169 O OG . SER A 1 21 ? -2.559 -3.519 9.219 1.00 62.68 21 A 1 ATOM 170 O OXT . SER A 1 21 ? 0.134 -5.932 11.197 1.00 64.00 21 A 1 #