# 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_spkb10599 # _entry.id spkb10599 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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 ASP 2 1 n PRO 3 1 n GLN 4 1 n CYS 5 1 n THR 6 1 n MET 7 1 n GLY 8 1 n LEU 9 1 n SER 10 1 n ASN 11 1 n ILE 12 1 n LEU 13 1 n PHE 14 1 n VAL 15 1 n MET 16 1 n ALA 17 1 n PHE 18 1 n LEU 19 1 n LEU 20 1 n SER 21 1 n GLY 22 1 n ALA 23 # _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 22:12:09)" _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 83.42 _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 64.34 1 1 A ASP 2 2 68.95 1 2 A PRO 3 2 81.61 1 3 A GLN 4 2 69.96 1 4 A CYS 5 2 79.92 1 5 A THR 6 2 77.23 1 6 A MET 7 2 78.84 1 7 A GLY 8 2 87.72 1 8 A LEU 9 2 84.62 1 9 A SER 10 2 89.25 1 10 A ASN 11 2 86.31 1 11 A ILE 12 2 89.69 1 12 A LEU 13 2 87.42 1 13 A PHE 14 2 86.74 1 14 A VAL 15 2 91.59 1 15 A MET 16 2 85.31 1 16 A ALA 17 2 94.30 1 17 A PHE 18 2 89.99 1 18 A LEU 19 2 91.80 1 19 A LEU 20 2 91.35 1 20 A SER 21 2 90.42 1 21 A GLY 22 2 87.23 1 22 A ALA 23 2 68.87 1 23 # _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 ASP . 2 A 2 A 3 1 n PRO . 3 A 3 A 4 1 n GLN . 4 A 4 A 5 1 n CYS . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n ASN . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? 2.036 1.245 18.578 1.00 67.93 1 A 1 ATOM 2 C CA . MET A 1 1 ? 1.855 0.914 17.154 1.00 70.76 1 A 1 ATOM 3 C C . MET A 1 1 ? 1.833 2.234 16.411 1.00 73.45 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.981 3.061 16.732 1.00 66.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.545 0.149 16.919 1.00 64.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? 0.621 -1.289 17.456 1.00 62.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.979 -2.145 17.372 1.00 56.07 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.495 -3.798 17.896 1.00 52.83 1 A 1 ATOM 9 N N . ASP A 1 2 ? 2.785 2.489 15.525 1.00 73.12 2 A 1 ATOM 10 C CA . ASP A 1 2 ? 2.844 3.758 14.803 1.00 76.85 2 A 1 ATOM 11 C C . ASP A 1 2 ? 1.699 3.840 13.787 1.00 78.91 2 A 1 ATOM 12 O O . ASP A 1 2 ? 1.654 3.023 12.859 1.00 73.41 2 A 1 ATOM 13 C CB . ASP A 1 2 ? 4.210 3.920 14.137 1.00 69.75 2 A 1 ATOM 14 C CG . ASP A 1 2 ? 5.172 4.596 15.099 1.00 61.43 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? 5.055 5.830 15.207 1.00 59.32 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? 5.943 3.861 15.748 1.00 58.78 2 A 1 ATOM 17 N N . PRO A 1 3 ? 0.775 4.795 13.919 1.00 81.30 3 A 1 ATOM 18 C CA . PRO A 1 3 ? -0.357 4.936 13.002 1.00 85.26 3 A 1 ATOM 19 C C . PRO A 1 3 ? 0.094 5.241 11.569 1.00 87.72 3 A 1 ATOM 20 O O . PRO A 1 3 ? -0.613 4.905 10.618 1.00 81.67 3 A 1 ATOM 21 C CB . PRO A 1 3 ? -1.225 6.049 13.609 1.00 80.51 3 A 1 ATOM 22 C CG . PRO A 1 3 ? -0.323 6.801 14.567 1.00 76.77 3 A 1 ATOM 23 C CD . PRO A 1 3 ? 0.725 5.786 14.986 1.00 78.03 3 A 1 ATOM 24 N N . GLN A 1 4 ? 1.300 5.799 11.391 1.00 77.19 4 A 1 ATOM 25 C CA . GLN A 1 4 ? 1.903 6.034 10.077 1.00 79.33 4 A 1 ATOM 26 C C . GLN A 1 4 ? 2.267 4.727 9.365 1.00 78.48 4 A 1 ATOM 27 O O . GLN A 1 4 ? 2.116 4.636 8.143 1.00 75.10 4 A 1 ATOM 28 C CB . GLN A 1 4 ? 3.155 6.902 10.233 1.00 76.10 4 A 1 ATOM 29 C CG . GLN A 1 4 ? 2.808 8.346 10.585 1.00 67.26 4 A 1 ATOM 30 C CD . GLN A 1 4 ? 4.043 9.244 10.601 1.00 62.66 4 A 1 ATOM 31 O OE1 . GLN A 1 4 ? 5.136 8.844 10.947 1.00 59.09 4 A 1 ATOM 32 N NE2 . GLN A 1 4 ? 3.917 10.495 10.215 1.00 54.39 4 A 1 ATOM 33 N N . CYS A 1 5 ? 2.691 3.704 10.099 1.00 82.28 5 A 1 ATOM 34 C CA . CYS A 1 5 ? 3.043 2.407 9.520 1.00 84.32 5 A 1 ATOM 35 C C . CYS A 1 5 ? 1.794 1.697 8.968 1.00 86.27 5 A 1 ATOM 36 O O . CYS A 1 5 ? 1.815 1.145 7.875 1.00 82.86 5 A 1 ATOM 37 C CB . CYS A 1 5 ? 3.768 1.574 10.586 1.00 77.65 5 A 1 ATOM 38 S SG . CYS A 1 5 ? 5.022 0.527 9.802 1.00 66.11 5 A 1 ATOM 39 N N . THR A 1 6 ? 0.671 1.778 9.676 1.00 79.25 6 A 1 ATOM 40 C CA . THR A 1 6 ? -0.611 1.204 9.249 1.00 81.50 6 A 1 ATOM 41 C C . THR A 1 6 ? -1.179 1.928 8.027 1.00 82.88 6 A 1 ATOM 42 O O . THR A 1 6 ? -1.654 1.278 7.099 1.00 81.62 6 A 1 ATOM 43 C CB . THR A 1 6 ? -1.627 1.243 10.396 1.00 78.73 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? -1.021 0.821 11.601 1.00 69.56 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? -2.810 0.322 10.140 1.00 67.04 6 A 1 ATOM 46 N N . MET A 1 7 ? -1.091 3.256 7.972 1.00 85.91 7 A 1 ATOM 47 C CA . MET A 1 7 ? -1.521 4.039 6.803 1.00 86.33 7 A 1 ATOM 48 C C . MET A 1 7 ? -0.665 3.738 5.567 1.00 87.24 7 A 1 ATOM 49 O O . MET A 1 7 ? -1.206 3.572 4.478 1.00 83.63 7 A 1 ATOM 50 C CB . MET A 1 7 ? -1.487 5.537 7.115 1.00 84.17 7 A 1 ATOM 51 C CG . MET A 1 7 ? -2.656 5.961 8.007 1.00 75.54 7 A 1 ATOM 52 S SD . MET A 1 7 ? -2.732 7.759 8.231 1.00 67.16 7 A 1 ATOM 53 C CE . MET A 1 7 ? -4.189 7.881 9.270 1.00 60.74 7 A 1 ATOM 54 N N . GLY A 1 8 ? 0.652 3.612 5.738 1.00 87.18 8 A 1 ATOM 55 C CA . GLY A 1 8 ? 1.566 3.240 4.656 1.00 87.57 8 A 1 ATOM 56 C C . GLY A 1 8 ? 1.269 1.854 4.096 1.00 89.27 8 A 1 ATOM 57 O O . GLY A 1 8 ? 1.176 1.688 2.879 1.00 86.84 8 A 1 ATOM 58 N N . LEU A 1 9 ? 1.036 0.871 4.965 1.00 89.16 9 A 1 ATOM 59 C CA . LEU A 1 9 ? 0.703 -0.492 4.553 1.00 90.16 9 A 1 ATOM 60 C C . LEU A 1 9 ? -0.633 -0.551 3.801 1.00 91.28 9 A 1 ATOM 61 O O . LEU A 1 9 ? -0.727 -1.215 2.772 1.00 90.02 9 A 1 ATOM 62 C CB . LEU A 1 9 ? 0.676 -1.405 5.788 1.00 88.56 9 A 1 ATOM 63 C CG . LEU A 1 9 ? 1.105 -2.836 5.450 1.00 79.56 9 A 1 ATOM 64 C CD1 . LEU A 1 9 ? 2.620 -2.987 5.591 1.00 74.61 9 A 1 ATOM 65 C CD2 . LEU A 1 9 ? 0.429 -3.831 6.388 1.00 73.57 9 A 1 ATOM 66 N N . SER A 1 10 ? -1.644 0.170 4.267 1.00 90.75 10 A 1 ATOM 67 C CA . SER A 1 10 ? -2.951 0.251 3.606 1.00 91.93 10 A 1 ATOM 68 C C . SER A 1 10 ? -2.850 0.892 2.219 1.00 92.69 10 A 1 ATOM 69 O O . SER A 1 10 ? -3.477 0.409 1.280 1.00 90.90 10 A 1 ATOM 70 C CB . SER A 1 10 ? -3.936 1.038 4.463 1.00 89.57 10 A 1 ATOM 71 O OG . SER A 1 10 ? -4.155 0.376 5.692 1.00 79.67 10 A 1 ATOM 72 N N . ASN A 1 11 ? -2.012 1.923 2.050 1.00 89.84 11 A 1 ATOM 73 C CA . ASN A 1 11 ? -1.759 2.537 0.746 1.00 90.78 11 A 1 ATOM 74 C C . ASN A 1 11 ? -1.064 1.569 -0.213 1.00 92.21 11 A 1 ATOM 75 O O . ASN A 1 11 ? -1.463 1.470 -1.366 1.00 91.00 11 A 1 ATOM 76 C CB . ASN A 1 11 ? -0.927 3.818 0.921 1.00 88.63 11 A 1 ATOM 77 C CG . ASN A 1 11 ? -1.762 5.075 0.815 1.00 82.80 11 A 1 ATOM 78 O OD1 . ASN A 1 11 ? -2.831 5.112 0.234 1.00 77.64 11 A 1 ATOM 79 N ND2 . ASN A 1 11 ? -1.274 6.169 1.348 1.00 77.54 11 A 1 ATOM 80 N N . ILE A 1 12 ? -0.060 0.824 0.256 1.00 91.29 12 A 1 ATOM 81 C CA . ILE A 1 12 ? 0.642 -0.169 -0.565 1.00 92.17 12 A 1 ATOM 82 C C . ILE A 1 12 ? -0.329 -1.262 -1.025 1.00 93.22 12 A 1 ATOM 83 O O . ILE A 1 12 ? -0.350 -1.599 -2.210 1.00 92.28 12 A 1 ATOM 84 C CB . ILE A 1 12 ? 1.845 -0.751 0.198 1.00 91.94 12 A 1 ATOM 85 C CG1 . ILE A 1 12 ? 2.932 0.331 0.382 1.00 89.29 12 A 1 ATOM 86 C CG2 . ILE A 1 12 ? 2.444 -1.962 -0.543 1.00 86.98 12 A 1 ATOM 87 C CD1 . ILE A 1 12 ? 3.969 -0.023 1.446 1.00 80.38 12 A 1 ATOM 88 N N . LEU A 1 13 ? -1.159 -1.780 -0.132 1.00 91.48 13 A 1 ATOM 89 C CA . LEU A 1 13 ? -2.164 -2.787 -0.474 1.00 91.74 13 A 1 ATOM 90 C C . LEU A 1 13 ? -3.178 -2.256 -1.493 1.00 92.36 13 A 1 ATOM 91 O O . LEU A 1 13 ? -3.527 -2.964 -2.436 1.00 91.99 13 A 1 ATOM 92 C CB . LEU A 1 13 ? -2.882 -3.245 0.804 1.00 90.81 13 A 1 ATOM 93 C CG . LEU A 1 13 ? -2.028 -4.153 1.701 1.00 83.36 13 A 1 ATOM 94 C CD1 . LEU A 1 13 ? -2.736 -4.351 3.040 1.00 78.93 13 A 1 ATOM 95 C CD2 . LEU A 1 13 ? -1.804 -5.522 1.063 1.00 78.72 13 A 1 ATOM 96 N N . PHE A 1 14 ? -3.614 -1.003 -1.343 1.00 89.54 14 A 1 ATOM 97 C CA . PHE A 1 14 ? -4.527 -0.364 -2.286 1.00 89.84 14 A 1 ATOM 98 C C . PHE A 1 14 ? -3.891 -0.195 -3.671 1.00 91.49 14 A 1 ATOM 99 O O . PHE A 1 14 ? -4.509 -0.542 -4.677 1.00 91.16 14 A 1 ATOM 100 C CB . PHE A 1 14 ? -4.968 0.981 -1.708 1.00 88.82 14 A 1 ATOM 101 C CG . PHE A 1 14 ? -6.020 1.655 -2.558 1.00 86.68 14 A 1 ATOM 102 C CD1 . PHE A 1 14 ? -5.655 2.622 -3.510 1.00 83.51 14 A 1 ATOM 103 C CD2 . PHE A 1 14 ? -7.364 1.281 -2.418 1.00 83.80 14 A 1 ATOM 104 C CE1 . PHE A 1 14 ? -6.630 3.216 -4.324 1.00 82.53 14 A 1 ATOM 105 C CE2 . PHE A 1 14 ? -8.340 1.873 -3.233 1.00 83.18 14 A 1 ATOM 106 C CZ . PHE A 1 14 ? -7.975 2.836 -4.185 1.00 83.60 14 A 1 ATOM 107 N N . VAL A 1 15 ? -2.638 0.271 -3.734 1.00 92.08 15 A 1 ATOM 108 C CA . VAL A 1 15 ? -1.896 0.419 -4.996 1.00 92.57 15 A 1 ATOM 109 C C . VAL A 1 15 ? -1.668 -0.943 -5.653 1.00 93.48 15 A 1 ATOM 110 O O . VAL A 1 15 ? -1.879 -1.079 -6.856 1.00 92.99 15 A 1 ATOM 111 C CB . VAL A 1 15 ? -0.566 1.158 -4.755 1.00 91.62 15 A 1 ATOM 112 C CG1 . VAL A 1 15 ? 0.343 1.154 -5.983 1.00 89.34 15 A 1 ATOM 113 C CG2 . VAL A 1 15 ? -0.830 2.621 -4.395 1.00 89.02 15 A 1 ATOM 114 N N . MET A 1 16 ? -1.298 -1.963 -4.881 1.00 92.02 16 A 1 ATOM 115 C CA . MET A 1 16 ? -1.119 -3.319 -5.405 1.00 91.78 16 A 1 ATOM 116 C C . MET A 1 16 ? -2.426 -3.896 -5.950 1.00 93.22 16 A 1 ATOM 117 O O . MET A 1 16 ? -2.434 -4.447 -7.049 1.00 93.34 16 A 1 ATOM 118 C CB . MET A 1 16 ? -0.535 -4.225 -4.314 1.00 90.15 16 A 1 ATOM 119 C CG . MET A 1 16 ? 0.956 -3.925 -4.086 1.00 82.46 16 A 1 ATOM 120 S SD . MET A 1 16 ? 2.001 -4.387 -5.482 1.00 75.23 16 A 1 ATOM 121 C CE . MET A 1 16 ? 3.584 -3.745 -4.912 1.00 64.26 16 A 1 ATOM 122 N N . ALA A 1 17 ? -3.541 -3.720 -5.242 1.00 94.28 17 A 1 ATOM 123 C CA . ALA A 1 17 ? -4.853 -4.154 -5.722 1.00 94.61 17 A 1 ATOM 124 C C . ALA A 1 17 ? -5.265 -3.413 -7.006 1.00 95.21 17 A 1 ATOM 125 O O . ALA A 1 17 ? -5.785 -4.033 -7.932 1.00 94.00 17 A 1 ATOM 126 C CB . ALA A 1 17 ? -5.878 -3.939 -4.600 1.00 93.40 17 A 1 ATOM 127 N N . PHE A 1 18 ? -4.985 -2.106 -7.092 1.00 93.19 18 A 1 ATOM 128 C CA . PHE A 1 18 ? -5.257 -1.308 -8.286 1.00 92.91 18 A 1 ATOM 129 C C . PHE A 1 18 ? -4.413 -1.765 -9.483 1.00 93.94 18 A 1 ATOM 130 O O . PHE A 1 18 ? -4.955 -1.952 -10.570 1.00 93.72 18 A 1 ATOM 131 C CB . PHE A 1 18 ? -5.012 0.168 -7.961 1.00 92.12 18 A 1 ATOM 132 C CG . PHE A 1 18 ? -5.328 1.080 -9.123 1.00 90.37 18 A 1 ATOM 133 C CD1 . PHE A 1 18 ? -4.311 1.518 -9.984 1.00 87.47 18 A 1 ATOM 134 C CD2 . PHE A 1 18 ? -6.659 1.457 -9.365 1.00 87.37 18 A 1 ATOM 135 C CE1 . PHE A 1 18 ? -4.622 2.329 -11.083 1.00 86.13 18 A 1 ATOM 136 C CE2 . PHE A 1 18 ? -6.970 2.266 -10.466 1.00 86.16 18 A 1 ATOM 137 C CZ . PHE A 1 18 ? -5.952 2.701 -11.324 1.00 86.51 18 A 1 ATOM 138 N N . LEU A 1 19 ? -3.114 -2.006 -9.280 1.00 94.39 19 A 1 ATOM 139 C CA . LEU A 1 19 ? -2.226 -2.507 -10.332 1.00 94.67 19 A 1 ATOM 140 C C . LEU A 1 19 ? -2.636 -3.905 -10.799 1.00 95.15 19 A 1 ATOM 141 O O . LEU A 1 19 ? -2.643 -4.162 -12.001 1.00 94.77 19 A 1 ATOM 142 C CB . LEU A 1 19 ? -0.779 -2.522 -9.818 1.00 93.89 19 A 1 ATOM 143 C CG . LEU A 1 19 ? -0.140 -1.130 -9.685 1.00 89.42 19 A 1 ATOM 144 C CD1 . LEU A 1 19 ? 1.198 -1.255 -8.960 1.00 86.29 19 A 1 ATOM 145 C CD2 . LEU A 1 19 ? 0.107 -0.479 -11.043 1.00 85.84 19 A 1 ATOM 146 N N . LEU A 1 20 ? -3.023 -4.786 -9.874 1.00 95.80 20 A 1 ATOM 147 C CA . LEU A 1 20 ? -3.493 -6.133 -10.208 1.00 95.27 20 A 1 ATOM 148 C C . LEU A 1 20 ? -4.829 -6.107 -10.961 1.00 95.35 20 A 1 ATOM 149 O O . LEU A 1 20 ? -5.055 -6.931 -11.841 1.00 94.77 20 A 1 ATOM 150 C CB . LEU A 1 20 ? -3.620 -6.957 -8.915 1.00 93.94 20 A 1 ATOM 151 C CG . LEU A 1 20 ? -3.113 -8.398 -9.088 1.00 88.15 20 A 1 ATOM 152 C CD1 . LEU A 1 20 ? -1.612 -8.470 -8.799 1.00 83.95 20 A 1 ATOM 153 C CD2 . LEU A 1 20 ? -3.839 -9.336 -8.136 1.00 83.54 20 A 1 ATOM 154 N N . SER A 1 21 ? -5.712 -5.168 -10.623 1.00 94.81 21 A 1 ATOM 155 C CA . SER A 1 21 ? -7.016 -5.016 -11.278 1.00 94.11 21 A 1 ATOM 156 C C . SER A 1 21 ? -6.938 -4.274 -12.614 1.00 93.18 21 A 1 ATOM 157 O O . SER A 1 21 ? -7.865 -4.388 -13.419 1.00 88.30 21 A 1 ATOM 158 C CB . SER A 1 21 ? -7.971 -4.279 -10.340 1.00 91.42 21 A 1 ATOM 159 O OG . SER A 1 21 ? -9.274 -4.269 -10.902 1.00 80.72 21 A 1 ATOM 160 N N . GLY A 1 22 ? -5.895 -3.489 -12.843 1.00 91.21 22 A 1 ATOM 161 C CA . GLY A 1 22 ? -5.681 -2.702 -14.064 1.00 88.68 22 A 1 ATOM 162 C C . GLY A 1 22 ? -4.740 -3.363 -15.080 1.00 87.17 22 A 1 ATOM 163 O O . GLY A 1 22 ? -4.449 -2.749 -16.101 1.00 81.86 22 A 1 ATOM 164 N N . ALA A 1 23 ? -4.242 -4.569 -14.792 1.00 80.35 23 A 1 ATOM 165 C CA . ALA A 1 23 ? -3.410 -5.371 -15.686 1.00 75.19 23 A 1 ATOM 166 C C . ALA A 1 23 ? -4.249 -6.252 -16.614 1.00 69.76 23 A 1 ATOM 167 O O . ALA A 1 23 ? -5.328 -6.713 -16.191 1.00 64.08 23 A 1 ATOM 168 C CB . ALA A 1 23 ? -2.416 -6.186 -14.860 1.00 65.42 23 A 1 ATOM 169 O OXT . ALA A 1 23 ? -3.788 -6.469 -17.763 1.00 58.41 23 A 1 #