# 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_spkb34884 # _entry.id spkb34884 # 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" "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" "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" "C3 H7 N O3" 105.093 SER y SERINE C([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" "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 ILE 2 1 n SER 3 1 n SER 4 1 n SER 5 1 n HIS 6 1 n PHE 7 1 n ALA 8 1 n ILE 9 1 n PHE 10 1 n CYS 11 1 n ILE 12 1 n ILE 13 1 n LEU 14 1 n VAL 15 1 n SER 16 1 n LEU 17 1 n PHE 18 1 n ALA 19 1 n LEU 20 1 n GLN 21 1 n GLN 22 1 n TYR 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 @ 2025-07-12 22:38:20)" _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 89.94 _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 70.10 1 1 A ILE 2 2 75.19 1 2 A SER 3 2 82.60 1 3 A SER 4 2 88.50 1 4 A SER 5 2 89.44 1 5 A HIS 6 2 85.83 1 6 A PHE 7 2 93.03 1 7 A ALA 8 2 96.15 1 8 A ILE 9 2 93.53 1 9 A PHE 10 2 93.16 1 10 A CYS 11 2 94.91 1 11 A ILE 12 2 95.45 1 12 A ILE 13 2 95.77 1 13 A LEU 14 2 93.67 1 14 A VAL 15 2 96.41 1 15 A SER 16 2 95.25 1 16 A LEU 17 2 94.95 1 17 A PHE 18 2 92.83 1 18 A ALA 19 2 97.06 1 19 A LEU 20 2 93.50 1 20 A GLN 21 2 87.96 1 21 A GLN 22 2 87.15 1 22 A TYR 23 2 84.10 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 ILE . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLN . 21 A 21 A 22 1 n GLN . 22 A 22 A 23 1 n TYR . 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 ? 0.236 8.235 16.636 1.00 74.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? 0.354 6.758 16.685 1.00 79.55 1 A 1 ATOM 3 C C . MET A 1 1 ? -0.683 6.172 15.742 1.00 82.04 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.861 6.461 15.893 1.00 76.39 1 A 1 ATOM 5 C CB . MET A 1 1 ? 0.133 6.244 18.119 1.00 71.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? 1.354 6.522 18.999 1.00 64.89 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.995 6.555 20.773 1.00 58.25 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.715 4.808 21.113 1.00 53.41 1 A 1 ATOM 9 N N . ILE A 1 2 ? -0.265 5.415 14.737 1.00 77.95 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -1.166 4.772 13.785 1.00 81.09 2 A 1 ATOM 11 C C . ILE A 1 2 ? -1.666 3.464 14.387 1.00 82.94 2 A 1 ATOM 12 O O . ILE A 1 2 ? -0.874 2.652 14.864 1.00 80.56 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -0.505 4.530 12.414 1.00 77.12 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? 0.955 5.036 12.337 1.00 70.89 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -1.372 5.153 11.326 1.00 68.28 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? 1.672 4.684 11.043 1.00 62.70 2 A 1 ATOM 17 N N . SER A 1 3 ? -2.980 3.262 14.385 1.00 83.38 3 A 1 ATOM 18 C CA . SER A 1 3 ? -3.556 1.997 14.840 1.00 86.83 3 A 1 ATOM 19 C C . SER A 1 3 ? -3.186 0.878 13.865 1.00 87.78 3 A 1 ATOM 20 O O . SER A 1 3 ? -3.052 1.121 12.664 1.00 85.40 3 A 1 ATOM 21 C CB . SER A 1 3 ? -5.073 2.123 14.964 1.00 81.85 3 A 1 ATOM 22 O OG . SER A 1 3 ? -5.644 0.885 15.354 1.00 70.37 3 A 1 ATOM 23 N N . SER A 1 4 ? -3.056 -0.350 14.362 1.00 90.19 4 A 1 ATOM 24 C CA . SER A 1 4 ? -2.758 -1.532 13.537 1.00 91.91 4 A 1 ATOM 25 C C . SER A 1 4 ? -3.747 -1.682 12.370 1.00 92.43 4 A 1 ATOM 26 O O . SER A 1 4 ? -3.352 -2.015 11.254 1.00 90.40 4 A 1 ATOM 27 C CB . SER A 1 4 ? -2.785 -2.778 14.425 1.00 88.86 4 A 1 ATOM 28 O OG . SER A 1 4 ? -2.462 -3.929 13.681 1.00 77.20 4 A 1 ATOM 29 N N . SER A 1 5 ? -5.021 -1.364 12.598 1.00 91.13 5 A 1 ATOM 30 C CA . SER A 1 5 ? -6.057 -1.411 11.563 1.00 92.60 5 A 1 ATOM 31 C C . SER A 1 5 ? -5.808 -0.388 10.450 1.00 93.67 5 A 1 ATOM 32 O O . SER A 1 5 ? -5.964 -0.707 9.273 1.00 91.91 5 A 1 ATOM 33 C CB . SER A 1 5 ? -7.429 -1.168 12.188 1.00 89.63 5 A 1 ATOM 34 O OG . SER A 1 5 ? -7.634 -2.045 13.280 1.00 77.69 5 A 1 ATOM 35 N N . HIS A 1 6 ? -5.386 0.835 10.794 1.00 91.83 6 A 1 ATOM 36 C CA . HIS A 1 6 ? -5.063 1.868 9.809 1.00 93.46 6 A 1 ATOM 37 C C . HIS A 1 6 ? -3.840 1.480 8.981 1.00 94.98 6 A 1 ATOM 38 O O . HIS A 1 6 ? -3.820 1.695 7.770 1.00 94.60 6 A 1 ATOM 39 C CB . HIS A 1 6 ? -4.817 3.207 10.505 1.00 91.86 6 A 1 ATOM 40 C CG . HIS A 1 6 ? -6.060 3.821 11.059 1.00 86.84 6 A 1 ATOM 41 N ND1 . HIS A 1 6 ? -6.463 3.764 12.367 1.00 76.01 6 A 1 ATOM 42 C CD2 . HIS A 1 6 ? -7.000 4.553 10.389 1.00 75.56 6 A 1 ATOM 43 C CE1 . HIS A 1 6 ? -7.615 4.440 12.476 1.00 76.16 6 A 1 ATOM 44 N NE2 . HIS A 1 6 ? -7.966 4.933 11.302 1.00 76.97 6 A 1 ATOM 45 N N . PHE A 1 7 ? -2.835 0.871 9.615 1.00 94.93 7 A 1 ATOM 46 C CA . PHE A 1 7 ? -1.645 0.388 8.926 1.00 95.51 7 A 1 ATOM 47 C C . PHE A 1 7 ? -1.998 -0.705 7.910 1.00 96.43 7 A 1 ATOM 48 O O . PHE A 1 7 ? -1.542 -0.657 6.770 1.00 96.36 7 A 1 ATOM 49 C CB . PHE A 1 7 ? -0.627 -0.106 9.955 1.00 94.94 7 A 1 ATOM 50 C CG . PHE A 1 7 ? 0.662 -0.566 9.319 1.00 93.79 7 A 1 ATOM 51 C CD1 . PHE A 1 7 ? 0.921 -1.931 9.146 1.00 91.02 7 A 1 ATOM 52 C CD2 . PHE A 1 7 ? 1.591 0.377 8.872 1.00 91.09 7 A 1 ATOM 53 C CE1 . PHE A 1 7 ? 2.104 -2.354 8.533 1.00 89.84 7 A 1 ATOM 54 C CE2 . PHE A 1 7 ? 2.776 -0.043 8.253 1.00 89.78 7 A 1 ATOM 55 C CZ . PHE A 1 7 ? 3.030 -1.405 8.086 1.00 89.59 7 A 1 ATOM 56 N N . ALA A 1 8 ? -2.842 -1.655 8.279 1.00 95.81 8 A 1 ATOM 57 C CA . ALA A 1 8 ? -3.287 -2.719 7.379 1.00 96.24 8 A 1 ATOM 58 C C . ALA A 1 8 ? -4.031 -2.155 6.156 1.00 96.98 8 A 1 ATOM 59 O O . ALA A 1 8 ? -3.733 -2.535 5.024 1.00 96.29 8 A 1 ATOM 60 C CB . ALA A 1 8 ? -4.159 -3.702 8.163 1.00 95.42 8 A 1 ATOM 61 N N . ILE A 1 9 ? -4.948 -1.207 6.360 1.00 95.65 9 A 1 ATOM 62 C CA . ILE A 1 9 ? -5.682 -0.545 5.273 1.00 95.98 9 A 1 ATOM 63 C C . ILE A 1 9 ? -4.715 0.209 4.358 1.00 96.55 9 A 1 ATOM 64 O O . ILE A 1 9 ? -4.802 0.100 3.134 1.00 96.34 9 A 1 ATOM 65 C CB . ILE A 1 9 ? -6.761 0.390 5.849 1.00 95.56 9 A 1 ATOM 66 C CG1 . ILE A 1 9 ? -7.854 -0.426 6.567 1.00 91.97 9 A 1 ATOM 67 C CG2 . ILE A 1 9 ? -7.397 1.244 4.739 1.00 91.08 9 A 1 ATOM 68 C CD1 . ILE A 1 9 ? -8.766 0.419 7.451 1.00 85.12 9 A 1 ATOM 69 N N . PHE A 1 10 ? -3.765 0.945 4.940 1.00 95.22 10 A 1 ATOM 70 C CA . PHE A 1 10 ? -2.761 1.682 4.185 1.00 95.37 10 A 1 ATOM 71 C C . PHE A 1 10 ? -1.910 0.751 3.317 1.00 96.23 10 A 1 ATOM 72 O O . PHE A 1 10 ? -1.689 1.038 2.143 1.00 96.35 10 A 1 ATOM 73 C CB . PHE A 1 10 ? -1.902 2.485 5.163 1.00 94.95 10 A 1 ATOM 74 C CG . PHE A 1 10 ? -0.871 3.347 4.480 1.00 93.43 10 A 1 ATOM 75 C CD1 . PHE A 1 10 ? 0.490 3.045 4.594 1.00 90.69 10 A 1 ATOM 76 C CD2 . PHE A 1 10 ? -1.277 4.458 3.737 1.00 91.31 10 A 1 ATOM 77 C CE1 . PHE A 1 10 ? 1.447 3.856 3.980 1.00 90.33 10 A 1 ATOM 78 C CE2 . PHE A 1 10 ? -0.321 5.267 3.114 1.00 90.35 10 A 1 ATOM 79 C CZ . PHE A 1 10 ? 1.039 4.968 3.236 1.00 90.52 10 A 1 ATOM 80 N N . CYS A 1 11 ? -1.479 -0.395 3.851 1.00 96.10 11 A 1 ATOM 81 C CA . CYS A 1 11 ? -0.731 -1.391 3.091 1.00 96.35 11 A 1 ATOM 82 C C . CYS A 1 11 ? -1.544 -1.946 1.913 1.00 96.91 11 A 1 ATOM 83 O O . CYS A 1 11 ? -1.012 -2.075 0.817 1.00 96.43 11 A 1 ATOM 84 C CB . CYS A 1 11 ? -0.295 -2.528 4.020 1.00 95.45 11 A 1 ATOM 85 S SG . CYS A 1 11 ? 1.029 -1.977 5.125 1.00 88.24 11 A 1 ATOM 86 N N . ILE A 1 12 ? -2.816 -2.248 2.118 1.00 96.73 12 A 1 ATOM 87 C CA . ILE A 1 12 ? -3.695 -2.748 1.050 1.00 96.87 12 A 1 ATOM 88 C C . ILE A 1 12 ? -3.820 -1.709 -0.070 1.00 97.38 12 A 1 ATOM 89 O O . ILE A 1 12 ? -3.701 -2.052 -1.251 1.00 97.02 12 A 1 ATOM 90 C CB . ILE A 1 12 ? -5.074 -3.138 1.620 1.00 96.61 12 A 1 ATOM 91 C CG1 . ILE A 1 12 ? -4.946 -4.369 2.541 1.00 94.81 12 A 1 ATOM 92 C CG2 . ILE A 1 12 ? -6.073 -3.441 0.487 1.00 94.44 12 A 1 ATOM 93 C CD1 . ILE A 1 12 ? -6.169 -4.604 3.426 1.00 89.77 12 A 1 ATOM 94 N N . ILE A 1 13 ? -4.020 -0.442 0.287 1.00 97.01 13 A 1 ATOM 95 C CA . ILE A 1 13 ? -4.114 0.650 -0.685 1.00 96.88 13 A 1 ATOM 96 C C . ILE A 1 13 ? -2.805 0.784 -1.467 1.00 97.13 13 A 1 ATOM 97 O O . ILE A 1 13 ? -2.834 0.857 -2.698 1.00 96.80 13 A 1 ATOM 98 C CB . ILE A 1 13 ? -4.501 1.968 0.018 1.00 96.73 13 A 1 ATOM 99 C CG1 . ILE A 1 13 ? -5.943 1.881 0.556 1.00 95.35 13 A 1 ATOM 100 C CG2 . ILE A 1 13 ? -4.372 3.164 -0.941 1.00 94.84 13 A 1 ATOM 101 C CD1 . ILE A 1 13 ? -6.299 2.998 1.532 1.00 91.40 13 A 1 ATOM 102 N N . LEU A 1 14 ? -1.669 0.771 -0.792 1.00 96.77 14 A 1 ATOM 103 C CA . LEU A 1 14 ? -0.363 0.867 -1.442 1.00 96.50 14 A 1 ATOM 104 C C . LEU A 1 14 ? -0.123 -0.286 -2.414 1.00 96.71 14 A 1 ATOM 105 O O . LEU A 1 14 ? 0.320 -0.054 -3.536 1.00 96.73 14 A 1 ATOM 106 C CB . LEU A 1 14 ? 0.753 0.891 -0.393 1.00 96.01 14 A 1 ATOM 107 C CG . LEU A 1 14 ? 0.914 2.217 0.355 1.00 90.34 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? 2.040 2.046 1.375 1.00 87.72 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? 1.263 3.376 -0.576 1.00 88.58 14 A 1 ATOM 110 N N . VAL A 1 15 ? -0.406 -1.515 -2.011 1.00 97.66 15 A 1 ATOM 111 C CA . VAL A 1 15 ? -0.244 -2.695 -2.872 1.00 97.38 15 A 1 ATOM 112 C C . VAL A 1 15 ? -1.157 -2.595 -4.096 1.00 97.57 15 A 1 ATOM 113 O O . VAL A 1 15 ? -0.719 -2.874 -5.212 1.00 97.15 15 A 1 ATOM 114 C CB . VAL A 1 15 ? -0.505 -3.992 -2.079 1.00 96.75 15 A 1 ATOM 115 C CG1 . VAL A 1 15 ? -0.556 -5.226 -2.984 1.00 94.20 15 A 1 ATOM 116 C CG2 . VAL A 1 15 ? 0.610 -4.216 -1.056 1.00 94.18 15 A 1 ATOM 117 N N . SER A 1 16 ? -2.391 -2.149 -3.914 1.00 97.08 16 A 1 ATOM 118 C CA . SER A 1 16 ? -3.340 -1.981 -5.017 1.00 96.90 16 A 1 ATOM 119 C C . SER A 1 16 ? -2.868 -0.912 -6.010 1.00 97.01 16 A 1 ATOM 120 O O . SER A 1 16 ? -2.895 -1.138 -7.221 1.00 95.91 16 A 1 ATOM 121 C CB . SER A 1 16 ? -4.725 -1.616 -4.478 1.00 96.37 16 A 1 ATOM 122 O OG . SER A 1 16 ? -5.199 -2.613 -3.593 1.00 88.26 16 A 1 ATOM 123 N N . LEU A 1 17 ? -2.394 0.225 -5.520 1.00 97.17 17 A 1 ATOM 124 C CA . LEU A 1 17 ? -1.867 1.300 -6.360 1.00 96.79 17 A 1 ATOM 125 C C . LEU A 1 17 ? -0.587 0.872 -7.076 1.00 96.89 17 A 1 ATOM 126 O O . LEU A 1 17 ? -0.416 1.161 -8.260 1.00 96.62 17 A 1 ATOM 127 C CB . LEU A 1 17 ? -1.605 2.547 -5.504 1.00 96.59 17 A 1 ATOM 128 C CG . LEU A 1 17 ? -2.866 3.246 -4.986 1.00 93.43 17 A 1 ATOM 129 C CD1 . LEU A 1 17 ? -2.472 4.361 -4.019 1.00 90.85 17 A 1 ATOM 130 C CD2 . LEU A 1 17 ? -3.689 3.854 -6.121 1.00 91.25 17 A 1 ATOM 131 N N . PHE A 1 18 ? 0.297 0.162 -6.390 1.00 97.14 18 A 1 ATOM 132 C CA . PHE A 1 18 ? 1.531 -0.352 -6.975 1.00 96.50 18 A 1 ATOM 133 C C . PHE A 1 18 ? 1.238 -1.368 -8.083 1.00 96.89 18 A 1 ATOM 134 O O . PHE A 1 18 ? 1.834 -1.299 -9.155 1.00 96.56 18 A 1 ATOM 135 C CB . PHE A 1 18 ? 2.400 -0.966 -5.872 1.00 96.07 18 A 1 ATOM 136 C CG . PHE A 1 18 ? 3.729 -1.461 -6.390 1.00 93.58 18 A 1 ATOM 137 C CD1 . PHE A 1 18 ? 3.924 -2.822 -6.663 1.00 88.91 18 A 1 ATOM 138 C CD2 . PHE A 1 18 ? 4.764 -0.550 -6.633 1.00 89.81 18 A 1 ATOM 139 C CE1 . PHE A 1 18 ? 5.149 -3.274 -7.169 1.00 88.11 18 A 1 ATOM 140 C CE2 . PHE A 1 18 ? 5.989 -0.999 -7.146 1.00 88.97 18 A 1 ATOM 141 C CZ . PHE A 1 18 ? 6.183 -2.359 -7.414 1.00 88.54 18 A 1 ATOM 142 N N . ALA A 1 19 ? 0.299 -2.280 -7.852 1.00 97.45 19 A 1 ATOM 143 C CA . ALA A 1 19 ? -0.119 -3.245 -8.867 1.00 97.15 19 A 1 ATOM 144 C C . ALA A 1 19 ? -0.712 -2.540 -10.096 1.00 97.40 19 A 1 ATOM 145 O O . ALA A 1 19 ? -0.404 -2.914 -11.225 1.00 96.70 19 A 1 ATOM 146 C CB . ALA A 1 19 ? -1.120 -4.221 -8.243 1.00 96.59 19 A 1 ATOM 147 N N . LEU A 1 20 ? -1.510 -1.492 -9.892 1.00 97.38 20 A 1 ATOM 148 C CA . LEU A 1 20 ? -2.067 -0.687 -10.979 1.00 97.01 20 A 1 ATOM 149 C C . LEU A 1 20 ? -0.973 0.058 -11.750 1.00 97.08 20 A 1 ATOM 150 O O . LEU A 1 20 ? -1.048 0.166 -12.974 1.00 96.26 20 A 1 ATOM 151 C CB . LEU A 1 20 ? -3.097 0.291 -10.396 1.00 96.49 20 A 1 ATOM 152 C CG . LEU A 1 20 ? -3.848 1.117 -11.454 1.00 91.59 20 A 1 ATOM 153 C CD1 . LEU A 1 20 ? -4.729 0.230 -12.338 1.00 86.56 20 A 1 ATOM 154 C CD2 . LEU A 1 20 ? -4.724 2.156 -10.764 1.00 85.62 20 A 1 ATOM 155 N N . GLN A 1 21 ? 0.051 0.546 -11.065 1.00 96.64 21 A 1 ATOM 156 C CA . GLN A 1 21 ? 1.172 1.260 -11.677 1.00 96.41 21 A 1 ATOM 157 C C . GLN A 1 21 ? 2.071 0.338 -12.514 1.00 95.94 21 A 1 ATOM 158 O O . GLN A 1 21 ? 2.734 0.792 -13.443 1.00 93.49 21 A 1 ATOM 159 C CB . GLN A 1 21 ? 1.973 1.953 -10.561 1.00 95.49 21 A 1 ATOM 160 C CG . GLN A 1 21 ? 3.053 2.904 -11.083 1.00 88.19 21 A 1 ATOM 161 C CD . GLN A 1 21 ? 2.475 4.100 -11.834 1.00 80.75 21 A 1 ATOM 162 O OE1 . GLN A 1 21 ? 1.656 4.840 -11.321 1.00 73.87 21 A 1 ATOM 163 N NE2 . GLN A 1 21 ? 2.891 4.321 -13.060 1.00 70.90 21 A 1 ATOM 164 N N . GLN A 1 22 ? 2.117 -0.942 -12.176 1.00 96.59 22 A 1 ATOM 165 C CA . GLN A 1 22 ? 2.908 -1.956 -12.889 1.00 95.85 22 A 1 ATOM 166 C C . GLN A 1 22 ? 2.181 -2.531 -14.113 1.00 94.55 22 A 1 ATOM 167 O O . GLN A 1 22 ? 2.782 -3.298 -14.868 1.00 90.85 22 A 1 ATOM 168 C CB . GLN A 1 22 ? 3.273 -3.079 -11.906 1.00 94.51 22 A 1 ATOM 169 C CG . GLN A 1 22 ? 4.346 -2.675 -10.893 1.00 86.66 22 A 1 ATOM 170 C CD . GLN A 1 22 ? 5.751 -2.789 -11.495 1.00 80.42 22 A 1 ATOM 171 O OE1 . GLN A 1 22 ? 6.222 -1.948 -12.235 1.00 74.25 22 A 1 ATOM 172 N NE2 . GLN A 1 22 ? 6.450 -3.865 -11.200 1.00 70.71 22 A 1 ATOM 173 N N . TYR A 1 23 ? 0.899 -2.208 -14.284 1.00 94.40 23 A 1 ATOM 174 C CA . TYR A 1 23 ? 0.070 -2.708 -15.385 1.00 93.13 23 A 1 ATOM 175 C C . TYR A 1 23 ? 0.065 -1.729 -16.572 1.00 89.24 23 A 1 ATOM 176 O O . TYR A 1 23 ? 0.002 -0.512 -16.335 1.00 84.61 23 A 1 ATOM 177 C CB . TYR A 1 23 ? -1.348 -2.999 -14.869 1.00 90.37 23 A 1 ATOM 178 C CG . TYR A 1 23 ? -2.168 -3.861 -15.806 1.00 83.59 23 A 1 ATOM 179 C CD1 . TYR A 1 23 ? -3.037 -3.275 -16.736 1.00 83.00 23 A 1 ATOM 180 C CD2 . TYR A 1 23 ? -2.043 -5.257 -15.766 1.00 80.69 23 A 1 ATOM 181 C CE1 . TYR A 1 23 ? -3.774 -4.071 -17.619 1.00 81.49 23 A 1 ATOM 182 C CE2 . TYR A 1 23 ? -2.779 -6.061 -16.648 1.00 84.41 23 A 1 ATOM 183 C CZ . TYR A 1 23 ? -3.643 -5.464 -17.573 1.00 77.81 23 A 1 ATOM 184 O OH . TYR A 1 23 ? -4.362 -6.247 -18.446 1.00 74.97 23 A 1 ATOM 185 O OXT . TYR A 1 23 ? 0.120 -2.221 -17.726 1.00 75.55 23 A 1 #