# 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_spkb26853 # _entry.id spkb26853 # 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" "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" "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" "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" # _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 SER 2 1 n MET 3 1 n LYS 4 1 n TYR 5 1 n LEU 6 1 n MET 7 1 n LEU 8 1 n LEU 9 1 n PHE 10 1 n ALA 11 1 n ALA 12 1 n MET 13 1 n ILE 14 1 n ILE 15 1 n ARG 16 1 n SER 17 1 n PHE 18 # _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 @ 2025-07-11 21:17:22)" _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 92.54 _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 81.34 1 1 A SER 2 2 91.93 1 2 A MET 3 2 90.67 1 3 A LYS 4 2 90.73 1 4 A TYR 5 2 94.05 1 5 A LEU 6 2 94.04 1 6 A MET 7 2 92.57 1 7 A LEU 8 2 94.41 1 8 A LEU 9 2 93.84 1 9 A PHE 10 2 94.00 1 10 A ALA 11 2 97.31 1 11 A ALA 12 2 97.63 1 12 A MET 13 2 92.25 1 13 A ILE 14 2 95.86 1 14 A ILE 15 2 95.64 1 15 A ARG 16 2 89.41 1 16 A SER 17 2 95.03 1 17 A PHE 18 2 90.36 1 18 # _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 SER . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n MET . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n PHE . 18 A 18 # _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 ? -11.481 -0.455 7.860 1.00 86.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.672 -0.383 6.628 1.00 89.31 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.991 -1.718 6.359 1.00 90.89 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.491 -2.358 7.282 1.00 89.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.607 0.710 6.737 1.00 82.96 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.856 0.949 5.443 1.00 75.66 1 A 1 ATOM 7 S SD . MET A 1 1 ? -7.634 2.265 5.548 1.00 72.06 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.699 3.696 5.651 1.00 63.14 1 A 1 ATOM 9 N N . SER A 1 2 ? -9.967 -2.136 5.097 1.00 90.53 2 A 1 ATOM 10 C CA . SER A 1 2 ? -9.344 -3.398 4.702 1.00 95.39 2 A 1 ATOM 11 C C . SER A 1 2 ? -7.821 -3.330 4.838 1.00 96.70 2 A 1 ATOM 12 O O . SER A 1 2 ? -7.226 -2.256 4.735 1.00 95.77 2 A 1 ATOM 13 C CB . SER A 1 2 ? -9.713 -3.746 3.267 1.00 92.38 2 A 1 ATOM 14 O OG . SER A 1 2 ? -9.091 -4.950 2.860 1.00 80.79 2 A 1 ATOM 15 N N . MET A 1 3 ? -7.205 -4.505 5.047 1.00 96.48 3 A 1 ATOM 16 C CA . MET A 1 3 ? -5.746 -4.580 5.167 1.00 96.87 3 A 1 ATOM 17 C C . MET A 1 3 ? -5.071 -4.147 3.872 1.00 97.27 3 A 1 ATOM 18 O O . MET A 1 3 ? -3.982 -3.575 3.899 1.00 96.28 3 A 1 ATOM 19 C CB . MET A 1 3 ? -5.319 -6.001 5.533 1.00 95.15 3 A 1 ATOM 20 C CG . MET A 1 3 ? -5.750 -6.403 6.933 1.00 88.51 3 A 1 ATOM 21 S SD . MET A 1 3 ? -4.973 -5.418 8.223 1.00 82.82 3 A 1 ATOM 22 C CE . MET A 1 3 ? -3.310 -6.053 8.155 1.00 71.95 3 A 1 ATOM 23 N N . LYS A 1 4 ? -5.724 -4.412 2.732 1.00 97.14 4 A 1 ATOM 24 C CA . LYS A 1 4 ? -5.180 -4.006 1.437 1.00 97.26 4 A 1 ATOM 25 C C . LYS A 1 4 ? -5.044 -2.489 1.353 1.00 97.48 4 A 1 ATOM 26 O O . LYS A 1 4 ? -4.036 -1.983 0.862 1.00 96.99 4 A 1 ATOM 27 C CB . LYS A 1 4 ? -6.059 -4.517 0.297 1.00 96.70 4 A 1 ATOM 28 C CG . LYS A 1 4 ? -5.950 -6.016 0.083 1.00 90.71 4 A 1 ATOM 29 C CD . LYS A 1 4 ? -6.750 -6.450 -1.132 1.00 86.76 4 A 1 ATOM 30 C CE . LYS A 1 4 ? -6.587 -7.937 -1.395 1.00 80.67 4 A 1 ATOM 31 N NZ . LYS A 1 4 ? -7.337 -8.362 -2.608 1.00 72.88 4 A 1 ATOM 32 N N . TYR A 1 5 ? -6.049 -1.776 1.845 1.00 97.64 5 A 1 ATOM 33 C CA . TYR A 1 5 ? -6.011 -0.319 1.827 1.00 97.61 5 A 1 ATOM 34 C C . TYR A 1 5 ? -4.898 0.211 2.731 1.00 97.68 5 A 1 ATOM 35 O O . TYR A 1 5 ? -4.210 1.176 2.386 1.00 97.15 5 A 1 ATOM 36 C CB . TYR A 1 5 ? -7.362 0.255 2.260 1.00 97.18 5 A 1 ATOM 37 C CG . TYR A 1 5 ? -8.451 0.037 1.232 1.00 94.61 5 A 1 ATOM 38 C CD1 . TYR A 1 5 ? -8.372 0.633 -0.024 1.00 91.52 5 A 1 ATOM 39 C CD2 . TYR A 1 5 ? -9.553 -0.754 1.524 1.00 91.90 5 A 1 ATOM 40 C CE1 . TYR A 1 5 ? -9.369 0.437 -0.968 1.00 90.58 5 A 1 ATOM 41 C CE2 . TYR A 1 5 ? -10.558 -0.955 0.585 1.00 91.34 5 A 1 ATOM 42 C CZ . TYR A 1 5 ? -10.457 -0.356 -0.658 1.00 91.71 5 A 1 ATOM 43 O OH . TYR A 1 5 ? -11.444 -0.554 -1.591 1.00 89.69 5 A 1 ATOM 44 N N . LEU A 1 6 ? -4.696 -0.431 3.879 1.00 97.24 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -3.632 -0.032 4.794 1.00 97.13 6 A 1 ATOM 46 C C . LEU A 1 6 ? -2.262 -0.252 4.156 1.00 97.21 6 A 1 ATOM 47 O O . LEU A 1 6 ? -1.369 0.593 4.277 1.00 96.92 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -3.732 -0.829 6.096 1.00 96.88 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -4.938 -0.477 6.957 1.00 91.78 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -5.053 -1.450 8.117 1.00 87.11 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -4.816 0.947 7.488 1.00 88.02 6 A 1 ATOM 52 N N . MET A 1 7 ? -2.102 -1.389 3.470 1.00 97.46 7 A 1 ATOM 53 C CA . MET A 1 7 ? -0.838 -1.702 2.803 1.00 97.29 7 A 1 ATOM 54 C C . MET A 1 7 ? -0.575 -0.743 1.646 1.00 97.40 7 A 1 ATOM 55 O O . MET A 1 7 ? 0.570 -0.354 1.410 1.00 96.90 7 A 1 ATOM 56 C CB . MET A 1 7 ? -0.849 -3.148 2.306 1.00 96.84 7 A 1 ATOM 57 C CG . MET A 1 7 ? -0.896 -4.158 3.445 1.00 91.97 7 A 1 ATOM 58 S SD . MET A 1 7 ? 0.490 -4.046 4.583 1.00 85.45 7 A 1 ATOM 59 C CE . MET A 1 7 ? 1.826 -4.597 3.532 1.00 77.24 7 A 1 ATOM 60 N N . LEU A 1 8 ? -1.631 -0.361 0.931 1.00 97.14 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -1.491 0.584 -0.175 1.00 96.84 8 A 1 ATOM 62 C C . LEU A 1 8 ? -1.044 1.950 0.338 1.00 97.05 8 A 1 ATOM 63 O O . LEU A 1 8 ? -0.183 2.595 -0.270 1.00 96.77 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -2.817 0.714 -0.934 1.00 96.42 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -3.178 -0.496 -1.794 1.00 90.84 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -4.604 -0.361 -2.308 1.00 89.82 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -2.217 -0.632 -2.971 1.00 90.36 8 A 1 ATOM 68 N N . LEU A 1 9 ? -1.604 2.379 1.454 1.00 96.95 9 A 1 ATOM 69 C CA . LEU A 1 9 ? -1.230 3.654 2.054 1.00 96.68 9 A 1 ATOM 70 C C . LEU A 1 9 ? 0.223 3.615 2.523 1.00 96.93 9 A 1 ATOM 71 O O . LEU A 1 9 ? 0.970 4.581 2.344 1.00 96.82 9 A 1 ATOM 72 C CB . LEU A 1 9 ? -2.158 3.971 3.229 1.00 96.33 9 A 1 ATOM 73 C CG . LEU A 1 9 ? -3.587 4.338 2.826 1.00 90.07 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? -4.479 4.397 4.059 1.00 88.22 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? -3.611 5.679 2.105 1.00 88.75 9 A 1 ATOM 76 N N . PHE A 1 10 ? 0.624 2.497 3.110 1.00 97.12 10 A 1 ATOM 77 C CA . PHE A 1 10 ? 1.998 2.320 3.571 1.00 97.06 10 A 1 ATOM 78 C C . PHE A 1 10 ? 2.967 2.341 2.392 1.00 97.40 10 A 1 ATOM 79 O O . PHE A 1 10 ? 4.017 2.990 2.452 1.00 97.16 10 A 1 ATOM 80 C CB . PHE A 1 10 ? 2.116 1.006 4.340 1.00 96.56 10 A 1 ATOM 81 C CG . PHE A 1 10 ? 3.474 0.804 4.954 1.00 94.23 10 A 1 ATOM 82 C CD1 . PHE A 1 10 ? 3.937 1.655 5.947 1.00 91.23 10 A 1 ATOM 83 C CD2 . PHE A 1 10 ? 4.279 -0.243 4.532 1.00 91.99 10 A 1 ATOM 84 C CE1 . PHE A 1 10 ? 5.191 1.468 6.513 1.00 90.73 10 A 1 ATOM 85 C CE2 . PHE A 1 10 ? 5.536 -0.434 5.095 1.00 90.51 10 A 1 ATOM 86 C CZ . PHE A 1 10 ? 5.992 0.423 6.085 1.00 89.98 10 A 1 ATOM 87 N N . ALA A 1 11 ? 2.614 1.632 1.303 1.00 97.39 11 A 1 ATOM 88 C CA . ALA A 1 11 ? 3.446 1.597 0.102 1.00 97.42 11 A 1 ATOM 89 C C . ALA A 1 11 ? 3.586 2.993 -0.503 1.00 97.79 11 A 1 ATOM 90 O O . ALA A 1 11 ? 4.665 3.364 -0.974 1.00 97.20 11 A 1 ATOM 91 C CB . ALA A 1 11 ? 2.841 0.637 -0.919 1.00 96.76 11 A 1 ATOM 92 N N . ALA A 1 12 ? 2.511 3.756 -0.484 1.00 97.90 12 A 1 ATOM 93 C CA . ALA A 1 12 ? 2.532 5.113 -1.022 1.00 97.79 12 A 1 ATOM 94 C C . ALA A 1 12 ? 3.511 5.990 -0.242 1.00 97.98 12 A 1 ATOM 95 O O . ALA A 1 12 ? 4.227 6.803 -0.827 1.00 97.26 12 A 1 ATOM 96 C CB . ALA A 1 12 ? 1.129 5.709 -0.983 1.00 97.20 12 A 1 ATOM 97 N N . MET A 1 13 ? 3.565 5.818 1.070 1.00 97.75 13 A 1 ATOM 98 C CA . MET A 1 13 ? 4.487 6.582 1.909 1.00 97.49 13 A 1 ATOM 99 C C . MET A 1 13 ? 5.936 6.213 1.606 1.00 97.73 13 A 1 ATOM 100 O O . MET A 1 13 ? 6.809 7.082 1.572 1.00 96.81 13 A 1 ATOM 101 C CB . MET A 1 13 ? 4.184 6.345 3.387 1.00 96.79 13 A 1 ATOM 102 C CG . MET A 1 13 ? 2.862 6.951 3.823 1.00 92.54 13 A 1 ATOM 103 S SD . MET A 1 13 ? 2.615 6.899 5.610 1.00 84.19 13 A 1 ATOM 104 C CE . MET A 1 13 ? 2.453 5.145 5.864 1.00 74.67 13 A 1 ATOM 105 N N . ILE A 1 14 ? 6.193 4.919 1.377 1.00 97.82 14 A 1 ATOM 106 C CA . ILE A 1 14 ? 7.537 4.443 1.060 1.00 97.73 14 A 1 ATOM 107 C C . ILE A 1 14 ? 7.997 5.014 -0.277 1.00 97.86 14 A 1 ATOM 108 O O . ILE A 1 14 ? 9.103 5.548 -0.387 1.00 97.00 14 A 1 ATOM 109 C CB . ILE A 1 14 ? 7.586 2.902 1.033 1.00 97.12 14 A 1 ATOM 110 C CG1 . ILE A 1 14 ? 7.325 2.347 2.441 1.00 94.88 14 A 1 ATOM 111 C CG2 . ILE A 1 14 ? 8.941 2.418 0.517 1.00 93.99 14 A 1 ATOM 112 C CD1 . ILE A 1 14 ? 7.082 0.855 2.464 1.00 90.50 14 A 1 ATOM 113 N N . ILE A 1 15 ? 7.150 4.896 -1.305 1.00 97.76 15 A 1 ATOM 114 C CA . ILE A 1 15 ? 7.476 5.401 -2.638 1.00 97.51 15 A 1 ATOM 115 C C . ILE A 1 15 ? 7.723 6.906 -2.587 1.00 97.46 15 A 1 ATOM 116 O O . ILE A 1 15 ? 8.643 7.419 -3.230 1.00 96.15 15 A 1 ATOM 117 C CB . ILE A 1 15 ? 6.347 5.067 -3.634 1.00 96.81 15 A 1 ATOM 118 C CG1 . ILE A 1 15 ? 6.240 3.547 -3.814 1.00 94.62 15 A 1 ATOM 119 C CG2 . ILE A 1 15 ? 6.602 5.742 -4.980 1.00 94.03 15 A 1 ATOM 120 C CD1 . ILE A 1 15 ? 4.962 3.112 -4.507 1.00 90.82 15 A 1 ATOM 121 N N . ARG A 1 16 ? 6.916 7.608 -1.817 1.00 97.65 16 A 1 ATOM 122 C CA . ARG A 1 16 ? 7.038 9.060 -1.683 1.00 97.26 16 A 1 ATOM 123 C C . ARG A 1 16 ? 8.344 9.451 -0.996 1.00 97.23 16 A 1 ATOM 124 O O . ARG A 1 16 ? 8.839 10.563 -1.195 1.00 95.39 16 A 1 ATOM 125 C CB . ARG A 1 16 ? 5.842 9.607 -0.902 1.00 96.08 16 A 1 ATOM 126 C CG . ARG A 1 16 ? 5.713 11.119 -0.946 1.00 89.71 16 A 1 ATOM 127 C CD . ARG A 1 16 ? 4.345 11.556 -0.449 1.00 88.87 16 A 1 ATOM 128 N NE . ARG A 1 16 ? 4.180 13.020 -0.517 1.00 85.34 16 A 1 ATOM 129 C CZ . ARG A 1 16 ? 4.393 13.846 0.499 1.00 81.95 16 A 1 ATOM 130 N NH1 . ARG A 1 16 ? 4.785 13.390 1.679 1.00 77.51 16 A 1 ATOM 131 N NH2 . ARG A 1 16 ? 4.220 15.146 0.340 1.00 76.53 16 A 1 ATOM 132 N N . SER A 1 17 ? 8.898 8.541 -0.198 1.00 97.23 17 A 1 ATOM 133 C CA . SER A 1 17 ? 10.145 8.793 0.521 1.00 96.85 17 A 1 ATOM 134 C C . SER A 1 17 ? 11.377 8.598 -0.367 1.00 96.76 17 A 1 ATOM 135 O O . SER A 1 17 ? 12.443 9.134 -0.066 1.00 94.61 17 A 1 ATOM 136 C CB . SER A 1 17 ? 10.239 7.878 1.741 1.00 95.62 17 A 1 ATOM 137 O OG . SER A 1 17 ? 9.196 8.172 2.660 1.00 89.11 17 A 1 ATOM 138 N N . PHE A 1 18 ? 11.226 7.820 -1.448 1.00 96.32 18 A 1 ATOM 139 C CA . PHE A 1 18 ? 12.336 7.545 -2.360 1.00 95.03 18 A 1 ATOM 140 C C . PHE A 1 18 ? 12.327 8.505 -3.546 1.00 93.89 18 A 1 ATOM 141 O O . PHE A 1 18 ? 13.391 9.021 -3.904 1.00 90.73 18 A 1 ATOM 142 C CB . PHE A 1 18 ? 12.263 6.101 -2.867 1.00 92.83 18 A 1 ATOM 143 C CG . PHE A 1 18 ? 12.584 5.073 -1.809 1.00 89.28 18 A 1 ATOM 144 C CD1 . PHE A 1 18 ? 13.876 4.928 -1.336 1.00 88.25 18 A 1 ATOM 145 C CD2 . PHE A 1 18 ? 11.594 4.258 -1.290 1.00 89.34 18 A 1 ATOM 146 C CE1 . PHE A 1 18 ? 14.192 3.987 -0.370 1.00 88.54 18 A 1 ATOM 147 C CE2 . PHE A 1 18 ? 11.898 3.313 -0.323 1.00 90.15 18 A 1 ATOM 148 C CZ . PHE A 1 18 ? 13.199 3.181 0.134 1.00 87.80 18 A 1 ATOM 149 O OXT . PHE A 1 18 ? 11.291 8.737 -4.144 1.00 82.22 18 A 1 #