# 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_spkb21849 # _entry.id spkb21849 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 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 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" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "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 HIS 2 1 n LEU 3 1 n LEU 4 1 n GLY 5 1 n PRO 6 1 n TRP 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n GLU 12 1 n TYR 13 1 n LEU 14 1 n ALA 15 1 n PHE 16 1 n SER 17 # _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 @ 2025-07-03 10:13:23)" _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 91.42 _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 79.21 1 1 A HIS 2 2 72.62 1 2 A LEU 3 2 85.62 1 3 A LEU 4 2 90.13 1 4 A GLY 5 2 95.48 1 5 A PRO 6 2 94.95 1 6 A TRP 7 2 94.58 1 7 A LEU 8 2 95.62 1 8 A LEU 9 2 95.14 1 9 A LEU 10 2 95.28 1 10 A LEU 11 2 94.99 1 11 A GLU 12 2 92.57 1 12 A TYR 13 2 94.55 1 13 A LEU 14 2 96.55 1 14 A ALA 15 2 97.75 1 15 A PHE 16 2 94.30 1 16 A SER 17 2 88.84 1 17 # _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 HIS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n PRO . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n GLU . 12 A 12 A 13 1 n TYR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n SER . 17 A 17 # _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 ? -12.829 7.550 10.819 1.00 86.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.352 6.217 10.329 1.00 86.27 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.041 6.371 9.560 1.00 86.29 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.799 7.381 8.930 1.00 81.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.412 5.650 9.384 1.00 81.79 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.586 5.139 10.210 1.00 76.75 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.801 4.374 9.135 1.00 72.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.951 3.842 10.388 1.00 62.11 1 A 1 ATOM 9 N N . HIS A 1 2 ? -10.200 5.372 9.613 1.00 80.40 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -8.907 5.428 8.891 1.00 83.05 2 A 1 ATOM 11 C C . HIS A 1 2 ? -8.812 4.236 7.934 1.00 86.47 2 A 1 ATOM 12 O O . HIS A 1 2 ? -8.763 3.097 8.362 1.00 83.11 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -7.788 5.344 9.922 1.00 77.43 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -7.897 6.488 10.894 1.00 71.36 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -8.373 6.344 12.152 1.00 63.87 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -7.574 7.795 10.751 1.00 61.41 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -8.343 7.534 12.762 1.00 58.90 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -7.853 8.445 11.936 1.00 60.17 2 A 1 ATOM 19 N N . LEU A 1 3 ? -8.764 4.501 6.640 1.00 85.42 3 A 1 ATOM 20 C CA . LEU A 1 3 ? -8.668 3.409 5.647 1.00 89.75 3 A 1 ATOM 21 C C . LEU A 1 3 ? -7.207 2.957 5.536 1.00 92.40 3 A 1 ATOM 22 O O . LEU A 1 3 ? -6.375 3.660 4.979 1.00 90.21 3 A 1 ATOM 23 C CB . LEU A 1 3 ? -9.166 3.960 4.311 1.00 87.22 3 A 1 ATOM 24 C CG . LEU A 1 3 ? -10.664 4.287 4.399 1.00 83.12 3 A 1 ATOM 25 C CD1 . LEU A 1 3 ? -11.054 5.170 3.214 1.00 80.28 3 A 1 ATOM 26 C CD2 . LEU A 1 3 ? -11.480 2.988 4.348 1.00 76.55 3 A 1 ATOM 27 N N . LEU A 1 4 ? -6.903 1.800 6.069 1.00 92.03 4 A 1 ATOM 28 C CA . LEU A 1 4 ? -5.528 1.272 6.012 1.00 93.05 4 A 1 ATOM 29 C C . LEU A 1 4 ? -5.338 0.376 4.788 1.00 94.38 4 A 1 ATOM 30 O O . LEU A 1 4 ? -4.240 -0.088 4.525 1.00 92.87 4 A 1 ATOM 31 C CB . LEU A 1 4 ? -5.268 0.474 7.299 1.00 91.81 4 A 1 ATOM 32 C CG . LEU A 1 4 ? -4.772 1.389 8.426 1.00 88.35 4 A 1 ATOM 33 C CD1 . LEU A 1 4 ? -3.400 1.955 8.058 1.00 85.02 4 A 1 ATOM 34 C CD2 . LEU A 1 4 ? -5.738 2.548 8.641 1.00 83.50 4 A 1 ATOM 35 N N . GLY A 1 5 ? -6.403 0.123 4.047 1.00 95.13 5 A 1 ATOM 36 C CA . GLY A 1 5 ? -6.306 -0.726 2.845 1.00 95.31 5 A 1 ATOM 37 C C . GLY A 1 5 ? -5.339 -0.134 1.824 1.00 96.16 5 A 1 ATOM 38 O O . GLY A 1 5 ? -4.295 -0.717 1.531 1.00 95.32 5 A 1 ATOM 39 N N . PRO A 1 6 ? -5.663 1.020 1.257 1.00 95.68 6 A 1 ATOM 40 C CA . PRO A 1 6 ? -4.782 1.664 0.264 1.00 96.01 6 A 1 ATOM 41 C C . PRO A 1 6 ? -3.442 2.082 0.863 1.00 96.64 6 A 1 ATOM 42 O O . PRO A 1 6 ? -2.460 2.246 0.149 1.00 95.36 6 A 1 ATOM 43 C CB . PRO A 1 6 ? -5.595 2.894 -0.180 1.00 94.34 6 A 1 ATOM 44 C CG . PRO A 1 6 ? -6.573 3.135 0.928 1.00 92.00 6 A 1 ATOM 45 C CD . PRO A 1 6 ? -6.885 1.780 1.511 1.00 94.60 6 A 1 ATOM 46 N N . TRP A 1 7 ? -3.384 2.258 2.171 1.00 96.05 7 A 1 ATOM 47 C CA . TRP A 1 7 ? -2.126 2.656 2.824 1.00 96.58 7 A 1 ATOM 48 C C . TRP A 1 7 ? -1.051 1.597 2.579 1.00 97.06 7 A 1 ATOM 49 O O . TRP A 1 7 ? 0.125 1.912 2.473 1.00 96.46 7 A 1 ATOM 50 C CB . TRP A 1 7 ? -2.379 2.813 4.329 1.00 96.23 7 A 1 ATOM 51 C CG . TRP A 1 7 ? -2.192 4.251 4.712 1.00 95.64 7 A 1 ATOM 52 C CD1 . TRP A 1 7 ? -3.138 5.078 5.213 1.00 93.56 7 A 1 ATOM 53 C CD2 . TRP A 1 7 ? -0.983 5.025 4.620 1.00 94.91 7 A 1 ATOM 54 N NE1 . TRP A 1 7 ? -2.591 6.322 5.442 1.00 92.81 7 A 1 ATOM 55 C CE2 . TRP A 1 7 ? -1.271 6.330 5.086 1.00 93.98 7 A 1 ATOM 56 C CE3 . TRP A 1 7 ? 0.327 4.752 4.184 1.00 93.47 7 A 1 ATOM 57 C CZ2 . TRP A 1 7 ? -0.289 7.334 5.122 1.00 93.37 7 A 1 ATOM 58 C CZ3 . TRP A 1 7 ? 1.302 5.752 4.219 1.00 92.27 7 A 1 ATOM 59 C CH2 . TRP A 1 7 ? 0.993 7.023 4.684 1.00 91.77 7 A 1 ATOM 60 N N . LEU A 1 8 ? -1.461 0.350 2.461 1.00 97.31 8 A 1 ATOM 61 C CA . LEU A 1 8 ? -0.485 -0.734 2.219 1.00 97.37 8 A 1 ATOM 62 C C . LEU A 1 8 ? 0.222 -0.497 0.884 1.00 97.49 8 A 1 ATOM 63 O O . LEU A 1 8 ? 1.397 -0.798 0.735 1.00 97.15 8 A 1 ATOM 64 C CB . LEU A 1 8 ? -1.252 -2.053 2.177 1.00 97.15 8 A 1 ATOM 65 C CG . LEU A 1 8 ? -1.710 -2.446 3.588 1.00 93.90 8 A 1 ATOM 66 C CD1 . LEU A 1 8 ? -2.773 -3.535 3.486 1.00 92.23 8 A 1 ATOM 67 C CD2 . LEU A 1 8 ? -0.516 -2.980 4.385 1.00 92.35 8 A 1 ATOM 68 N N . LEU A 1 9 ? -0.488 0.050 -0.081 1.00 97.00 9 A 1 ATOM 69 C CA . LEU A 1 9 ? 0.115 0.330 -1.402 1.00 96.83 9 A 1 ATOM 70 C C . LEU A 1 9 ? 1.234 1.365 -1.251 1.00 97.11 9 A 1 ATOM 71 O O . LEU A 1 9 ? 2.299 1.239 -1.839 1.00 96.75 9 A 1 ATOM 72 C CB . LEU A 1 9 ? -0.988 0.867 -2.318 1.00 96.48 9 A 1 ATOM 73 C CG . LEU A 1 9 ? -1.369 -0.190 -3.350 1.00 93.17 9 A 1 ATOM 74 C CD1 . LEU A 1 9 ? -2.744 0.146 -3.932 1.00 91.78 9 A 1 ATOM 75 C CD2 . LEU A 1 9 ? -0.335 -0.207 -4.472 1.00 92.03 9 A 1 ATOM 76 N N . LEU A 1 10 ? 0.990 2.384 -0.465 1.00 96.49 10 A 1 ATOM 77 C CA . LEU A 1 10 ? 2.020 3.425 -0.255 1.00 96.53 10 A 1 ATOM 78 C C . LEU A 1 10 ? 3.244 2.819 0.433 1.00 96.91 10 A 1 ATOM 79 O O . LEU A 1 10 ? 4.375 3.127 0.077 1.00 96.78 10 A 1 ATOM 80 C CB . LEU A 1 10 ? 1.409 4.517 0.622 1.00 96.35 10 A 1 ATOM 81 C CG . LEU A 1 10 ? 0.534 5.447 -0.218 1.00 94.50 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -0.366 6.261 0.703 1.00 92.29 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? 1.429 6.403 -1.020 1.00 92.36 10 A 1 ATOM 84 N N . LEU A 1 11 ? 3.015 1.960 1.403 1.00 96.84 11 A 1 ATOM 85 C CA . LEU A 1 11 ? 4.144 1.319 2.113 1.00 96.83 11 A 1 ATOM 86 C C . LEU A 1 11 ? 4.959 0.478 1.139 1.00 97.12 11 A 1 ATOM 87 O O . LEU A 1 11 ? 6.181 0.444 1.214 1.00 96.83 11 A 1 ATOM 88 C CB . LEU A 1 11 ? 3.561 0.438 3.211 1.00 96.39 11 A 1 ATOM 89 C CG . LEU A 1 11 ? 3.296 1.274 4.465 1.00 93.38 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? 2.329 0.521 5.374 1.00 91.23 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? 4.605 1.518 5.211 1.00 91.31 11 A 1 ATOM 92 N N . GLU A 1 12 ? 4.289 -0.187 0.226 1.00 97.02 12 A 1 ATOM 93 C CA . GLU A 1 12 ? 4.997 -1.023 -0.762 1.00 97.16 12 A 1 ATOM 94 C C . GLU A 1 12 ? 5.926 -0.144 -1.606 1.00 97.33 12 A 1 ATOM 95 O O . GLU A 1 12 ? 7.058 -0.514 -1.900 1.00 96.42 12 A 1 ATOM 96 C CB . GLU A 1 12 ? 3.966 -1.691 -1.666 1.00 96.75 12 A 1 ATOM 97 C CG . GLU A 1 12 ? 4.672 -2.721 -2.555 1.00 91.22 12 A 1 ATOM 98 C CD . GLU A 1 12 ? 3.705 -3.278 -3.572 1.00 87.06 12 A 1 ATOM 99 O OE1 . GLU A 1 12 ? 2.508 -3.014 -3.464 1.00 84.53 12 A 1 ATOM 100 O OE2 . GLU A 1 12 ? 4.147 -3.960 -4.497 1.00 85.67 12 A 1 ATOM 101 N N . TYR A 1 13 ? 5.439 1.015 -1.997 1.00 97.19 13 A 1 ATOM 102 C CA . TYR A 1 13 ? 6.262 1.936 -2.807 1.00 97.24 13 A 1 ATOM 103 C C . TYR A 1 13 ? 7.499 2.364 -2.005 1.00 97.67 13 A 1 ATOM 104 O O . TYR A 1 13 ? 8.600 2.442 -2.535 1.00 97.19 13 A 1 ATOM 105 C CB . TYR A 1 13 ? 5.397 3.157 -3.142 1.00 96.90 13 A 1 ATOM 106 C CG . TYR A 1 13 ? 6.027 3.915 -4.289 1.00 95.08 13 A 1 ATOM 107 C CD1 . TYR A 1 13 ? 7.000 4.889 -4.044 1.00 92.66 13 A 1 ATOM 108 C CD2 . TYR A 1 13 ? 5.650 3.639 -5.608 1.00 92.61 13 A 1 ATOM 109 C CE1 . TYR A 1 13 ? 7.589 5.581 -5.103 1.00 91.89 13 A 1 ATOM 110 C CE2 . TYR A 1 13 ? 6.238 4.333 -6.673 1.00 92.36 13 A 1 ATOM 111 C CZ . TYR A 1 13 ? 7.204 5.303 -6.411 1.00 92.61 13 A 1 ATOM 112 O OH . TYR A 1 13 ? 7.782 5.993 -7.454 1.00 91.24 13 A 1 ATOM 113 N N . LEU A 1 14 ? 7.323 2.626 -0.728 1.00 97.72 14 A 1 ATOM 114 C CA . LEU A 1 14 ? 8.465 3.027 0.119 1.00 97.70 14 A 1 ATOM 115 C C . LEU A 1 14 ? 9.445 1.868 0.271 1.00 97.92 14 A 1 ATOM 116 O O . LEU A 1 14 ? 10.651 2.065 0.240 1.00 97.52 14 A 1 ATOM 117 C CB . LEU A 1 14 ? 7.913 3.429 1.485 1.00 97.43 14 A 1 ATOM 118 C CG . LEU A 1 14 ? 7.434 4.882 1.456 1.00 96.05 14 A 1 ATOM 119 C CD1 . LEU A 1 14 ? 6.514 5.134 2.642 1.00 93.92 14 A 1 ATOM 120 C CD2 . LEU A 1 14 ? 8.636 5.821 1.534 1.00 94.11 14 A 1 ATOM 121 N N . ALA A 1 15 ? 8.935 0.672 0.429 1.00 98.02 15 A 1 ATOM 122 C CA . ALA A 1 15 ? 9.810 -0.509 0.583 1.00 98.01 15 A 1 ATOM 123 C C . ALA A 1 15 ? 10.587 -0.762 -0.708 1.00 97.97 15 A 1 ATOM 124 O O . ALA A 1 15 ? 11.699 -1.265 -0.686 1.00 97.20 15 A 1 ATOM 125 C CB . ALA A 1 15 ? 8.935 -1.708 0.913 1.00 97.53 15 A 1 ATOM 126 N N . PHE A 1 16 ? 9.995 -0.418 -1.834 1.00 97.73 16 A 1 ATOM 127 C CA . PHE A 1 16 ? 10.660 -0.618 -3.131 1.00 97.43 16 A 1 ATOM 128 C C . PHE A 1 16 ? 11.740 0.444 -3.352 1.00 97.46 16 A 1 ATOM 129 O O . PHE A 1 16 ? 12.460 0.406 -4.337 1.00 96.31 16 A 1 ATOM 130 C CB . PHE A 1 16 ? 9.600 -0.517 -4.230 1.00 96.65 16 A 1 ATOM 131 C CG . PHE A 1 16 ? 10.184 -0.857 -5.575 1.00 94.62 16 A 1 ATOM 132 C CD1 . PHE A 1 16 ? 10.414 -2.179 -5.923 1.00 92.07 16 A 1 ATOM 133 C CD2 . PHE A 1 16 ? 10.517 0.151 -6.473 1.00 91.81 16 A 1 ATOM 134 C CE1 . PHE A 1 16 ? 10.966 -2.503 -7.164 1.00 91.02 16 A 1 ATOM 135 C CE2 . PHE A 1 16 ? 11.080 -0.160 -7.722 1.00 91.33 16 A 1 ATOM 136 C CZ . PHE A 1 16 ? 11.301 -1.490 -8.063 1.00 90.92 16 A 1 ATOM 137 N N . SER A 1 17 ? 11.864 1.381 -2.446 1.00 95.00 17 A 1 ATOM 138 C CA . SER A 1 17 ? 12.857 2.465 -2.594 1.00 93.61 17 A 1 ATOM 139 C C . SER A 1 17 ? 14.227 1.883 -2.960 1.00 90.54 17 A 1 ATOM 140 O O . SER A 1 17 ? 14.906 2.461 -3.811 1.00 86.65 17 A 1 ATOM 141 C CB . SER A 1 17 ? 12.953 3.224 -1.273 1.00 89.24 17 A 1 ATOM 142 O OG . SER A 1 17 ? 13.446 2.401 -0.261 1.00 83.17 17 A 1 ATOM 143 O OXT . SER A 1 17 ? 14.614 0.849 -2.418 1.00 83.66 17 A 1 #