# 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_spkb21049 # _entry.id spkb21049 # 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 "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([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" "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 LYS 2 1 n TRP 3 1 n VAL 4 1 n VAL 5 1 n SER 6 1 n ILE 7 1 n PHE 8 1 n LEU 9 1 n ILE 10 1 n VAL 11 1 n LEU 12 1 n LEU 13 1 n ASN 14 1 n PHE 15 1 n THR 16 1 n GLU 17 1 n SER 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 @ 2025-07-10 21:22:09)" _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 93.44 _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 88.59 1 1 A LYS 2 2 89.10 1 2 A TRP 3 2 91.30 1 3 A VAL 4 2 96.94 1 4 A VAL 5 2 97.09 1 5 A SER 6 2 95.09 1 6 A ILE 7 2 96.46 1 7 A PHE 8 2 95.11 1 8 A LEU 9 2 94.62 1 9 A ILE 10 2 96.36 1 10 A VAL 11 2 97.74 1 11 A LEU 12 2 94.79 1 12 A LEU 13 2 94.79 1 13 A ASN 14 2 93.98 1 14 A PHE 15 2 94.69 1 15 A THR 16 2 94.95 1 16 A GLU 17 2 89.47 1 17 A SER 18 2 83.11 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 LYS . 2 A 2 A 3 1 n TRP . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n SER . 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 ? -12.548 4.794 6.606 1.00 94.46 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.082 3.863 5.548 1.00 95.66 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.685 3.340 5.878 1.00 95.87 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.694 4.031 5.652 1.00 93.17 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.065 4.572 4.190 1.00 92.41 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.457 4.788 3.641 1.00 84.80 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.434 5.173 1.883 1.00 80.73 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.277 6.945 1.942 1.00 71.62 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.625 2.141 6.420 1.00 96.51 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.347 1.536 6.817 1.00 96.93 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.599 0.941 5.619 1.00 97.02 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.377 0.813 5.655 1.00 95.97 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -9.598 0.459 7.874 1.00 96.01 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -10.140 1.025 9.188 1.00 89.08 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -9.111 1.895 9.886 1.00 84.71 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -9.708 2.559 11.120 1.00 77.54 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -9.869 1.595 12.223 1.00 68.09 2 A 1 ATOM 18 N N . TRP A 1 3 ? -9.343 0.580 4.559 1.00 96.56 3 A 1 ATOM 19 C CA . TRP A 1 3 ? -8.730 0.022 3.354 1.00 97.13 3 A 1 ATOM 20 C C . TRP A 1 3 ? -7.783 1.021 2.691 1.00 97.54 3 A 1 ATOM 21 O O . TRP A 1 3 ? -6.700 0.654 2.237 1.00 96.30 3 A 1 ATOM 22 C CB . TRP A 1 3 ? -9.822 -0.413 2.370 1.00 96.02 3 A 1 ATOM 23 C CG . TRP A 1 3 ? -9.949 -1.899 2.274 1.00 92.65 3 A 1 ATOM 24 C CD1 . TRP A 1 3 ? -10.457 -2.727 3.212 1.00 89.46 3 A 1 ATOM 25 C CD2 . TRP A 1 3 ? -9.542 -2.741 1.171 1.00 91.43 3 A 1 ATOM 26 N NE1 . TRP A 1 3 ? -10.396 -4.035 2.773 1.00 86.50 3 A 1 ATOM 27 C CE2 . TRP A 1 3 ? -9.837 -4.071 1.521 1.00 90.60 3 A 1 ATOM 28 C CE3 . TRP A 1 3 ? -8.962 -2.478 -0.073 1.00 86.67 3 A 1 ATOM 29 C CZ2 . TRP A 1 3 ? -9.565 -5.140 0.660 1.00 87.56 3 A 1 ATOM 30 C CZ3 . TRP A 1 3 ? -8.693 -3.543 -0.930 1.00 85.41 3 A 1 ATOM 31 C CH2 . TRP A 1 3 ? -8.992 -4.860 -0.560 1.00 84.36 3 A 1 ATOM 32 N N . VAL A 1 4 ? -8.182 2.290 2.667 1.00 97.93 4 A 1 ATOM 33 C CA . VAL A 1 4 ? -7.367 3.352 2.077 1.00 98.02 4 A 1 ATOM 34 C C . VAL A 1 4 ? -6.059 3.513 2.855 1.00 98.17 4 A 1 ATOM 35 O O . VAL A 1 4 ? -5.005 3.767 2.268 1.00 97.65 4 A 1 ATOM 36 C CB . VAL A 1 4 ? -8.141 4.682 2.039 1.00 97.46 4 A 1 ATOM 37 C CG1 . VAL A 1 4 ? -7.297 5.789 1.424 1.00 94.78 4 A 1 ATOM 38 C CG2 . VAL A 1 4 ? -9.435 4.524 1.257 1.00 94.60 4 A 1 ATOM 39 N N . VAL A 1 5 ? -6.130 3.341 4.147 1.00 97.98 5 A 1 ATOM 40 C CA . VAL A 1 5 ? -4.951 3.434 5.009 1.00 98.05 5 A 1 ATOM 41 C C . VAL A 1 5 ? -3.951 2.327 4.663 1.00 98.15 5 A 1 ATOM 42 O O . VAL A 1 5 ? -2.742 2.568 4.614 1.00 97.82 5 A 1 ATOM 43 C CB . VAL A 1 5 ? -5.349 3.355 6.493 1.00 97.66 5 A 1 ATOM 44 C CG1 . VAL A 1 5 ? -4.114 3.414 7.386 1.00 95.08 5 A 1 ATOM 45 C CG2 . VAL A 1 5 ? -6.301 4.482 6.851 1.00 94.91 5 A 1 ATOM 46 N N . SER A 1 6 ? -4.460 1.142 4.407 1.00 97.13 6 A 1 ATOM 47 C CA . SER A 1 6 ? -3.612 0.013 4.029 1.00 97.42 6 A 1 ATOM 48 C C . SER A 1 6 ? -2.909 0.277 2.698 1.00 97.84 6 A 1 ATOM 49 O O . SER A 1 6 ? -1.722 -0.009 2.553 1.00 97.50 6 A 1 ATOM 50 C CB . SER A 1 6 ? -4.442 -1.262 3.937 1.00 96.51 6 A 1 ATOM 51 O OG . SER A 1 6 ? -4.779 -1.715 5.236 1.00 84.12 6 A 1 ATOM 52 N N . ILE A 1 7 ? -3.638 0.829 1.748 1.00 97.88 7 A 1 ATOM 53 C CA . ILE A 1 7 ? -3.074 1.165 0.440 1.00 98.01 7 A 1 ATOM 54 C C . ILE A 1 7 ? -1.983 2.223 0.601 1.00 98.21 7 A 1 ATOM 55 O O . ILE A 1 7 ? -0.915 2.127 -0.011 1.00 97.98 7 A 1 ATOM 56 C CB . ILE A 1 7 ? -4.179 1.653 -0.518 1.00 97.81 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? -5.155 0.512 -0.823 1.00 95.96 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? -3.568 2.188 -1.817 1.00 95.46 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? -6.459 0.988 -1.423 1.00 90.38 7 A 1 ATOM 60 N N . PHE A 1 8 ? -2.246 3.196 1.433 1.00 97.92 8 A 1 ATOM 61 C CA . PHE A 1 8 ? -1.278 4.257 1.707 1.00 98.04 8 A 1 ATOM 62 C C . PHE A 1 8 ? 0.012 3.679 2.285 1.00 98.17 8 A 1 ATOM 63 O O . PHE A 1 8 ? 1.109 4.103 1.916 1.00 97.99 8 A 1 ATOM 64 C CB . PHE A 1 8 ? -1.895 5.268 2.670 1.00 97.90 8 A 1 ATOM 65 C CG . PHE A 1 8 ? -0.955 6.384 3.030 1.00 95.65 8 A 1 ATOM 66 C CD1 . PHE A 1 8 ? -0.698 7.414 2.134 1.00 91.41 8 A 1 ATOM 67 C CD2 . PHE A 1 8 ? -0.325 6.386 4.267 1.00 93.25 8 A 1 ATOM 68 C CE1 . PHE A 1 8 ? 0.176 8.443 2.468 1.00 91.29 8 A 1 ATOM 69 C CE2 . PHE A 1 8 ? 0.556 7.415 4.602 1.00 92.11 8 A 1 ATOM 70 C CZ . PHE A 1 8 ? 0.806 8.440 3.703 1.00 92.50 8 A 1 ATOM 71 N N . LEU A 1 9 ? -0.125 2.715 3.166 1.00 98.10 9 A 1 ATOM 72 C CA . LEU A 1 9 ? 1.026 2.065 3.788 1.00 97.99 9 A 1 ATOM 73 C C . LEU A 1 9 ? 1.864 1.319 2.753 1.00 98.12 9 A 1 ATOM 74 O O . LEU A 1 9 ? 3.093 1.357 2.799 1.00 97.99 9 A 1 ATOM 75 C CB . LEU A 1 9 ? 0.545 1.100 4.873 1.00 97.69 9 A 1 ATOM 76 C CG . LEU A 1 9 ? 1.482 1.024 6.077 1.00 90.51 9 A 1 ATOM 77 C CD1 . LEU A 1 9 ? 1.278 2.229 6.994 1.00 87.01 9 A 1 ATOM 78 C CD2 . LEU A 1 9 ? 1.229 -0.262 6.849 1.00 89.53 9 A 1 ATOM 79 N N . ILE A 1 10 ? 1.200 0.650 1.822 1.00 98.00 10 A 1 ATOM 80 C CA . ILE A 1 10 ? 1.881 -0.095 0.762 1.00 97.90 10 A 1 ATOM 81 C C . ILE A 1 10 ? 2.656 0.860 -0.143 1.00 98.08 10 A 1 ATOM 82 O O . ILE A 1 10 ? 3.804 0.586 -0.510 1.00 97.81 10 A 1 ATOM 83 C CB . ILE A 1 10 ? 0.870 -0.928 -0.049 1.00 97.58 10 A 1 ATOM 84 C CG1 . ILE A 1 10 ? 0.257 -2.022 0.834 1.00 95.83 10 A 1 ATOM 85 C CG2 . ILE A 1 10 ? 1.542 -1.557 -1.271 1.00 95.29 10 A 1 ATOM 86 C CD1 . ILE A 1 10 ? -1.028 -2.600 0.280 1.00 90.39 10 A 1 ATOM 87 N N . VAL A 1 11 ? 2.034 1.962 -0.496 1.00 98.33 11 A 1 ATOM 88 C CA . VAL A 1 11 ? 2.673 2.965 -1.350 1.00 98.33 11 A 1 ATOM 89 C C . VAL A 1 11 ? 3.880 3.569 -0.639 1.00 98.43 11 A 1 ATOM 90 O O . VAL A 1 11 ? 4.939 3.751 -1.246 1.00 98.14 11 A 1 ATOM 91 C CB . VAL A 1 11 ? 1.676 4.068 -1.740 1.00 98.07 11 A 1 ATOM 92 C CG1 . VAL A 1 11 ? 2.378 5.178 -2.514 1.00 96.42 11 A 1 ATOM 93 C CG2 . VAL A 1 11 ? 0.544 3.491 -2.576 1.00 96.49 11 A 1 ATOM 94 N N . LEU A 1 12 ? 3.726 3.845 0.625 1.00 98.18 12 A 1 ATOM 95 C CA . LEU A 1 12 ? 4.803 4.408 1.432 1.00 98.06 12 A 1 ATOM 96 C C . LEU A 1 12 ? 5.970 3.431 1.529 1.00 98.05 12 A 1 ATOM 97 O O . LEU A 1 12 ? 7.131 3.834 1.447 1.00 97.70 12 A 1 ATOM 98 C CB . LEU A 1 12 ? 4.271 4.753 2.823 1.00 97.84 12 A 1 ATOM 99 C CG . LEU A 1 12 ? 5.217 5.603 3.673 1.00 92.62 12 A 1 ATOM 100 C CD1 . LEU A 1 12 ? 5.295 7.030 3.138 1.00 86.83 12 A 1 ATOM 101 C CD2 . LEU A 1 12 ? 4.740 5.614 5.118 1.00 89.04 12 A 1 ATOM 102 N N . LEU A 1 13 ? 5.665 2.161 1.690 1.00 98.25 13 A 1 ATOM 103 C CA . LEU A 1 13 ? 6.684 1.117 1.774 1.00 98.09 13 A 1 ATOM 104 C C . LEU A 1 13 ? 7.479 1.035 0.475 1.00 98.13 13 A 1 ATOM 105 O O . LEU A 1 13 ? 8.706 0.918 0.506 1.00 97.62 13 A 1 ATOM 106 C CB . LEU A 1 13 ? 6.013 -0.226 2.079 1.00 97.72 13 A 1 ATOM 107 C CG . LEU A 1 13 ? 6.989 -1.368 2.376 1.00 93.38 13 A 1 ATOM 108 C CD1 . LEU A 1 13 ? 7.644 -1.182 3.741 1.00 86.61 13 A 1 ATOM 109 C CD2 . LEU A 1 13 ? 6.255 -2.703 2.332 1.00 88.54 13 A 1 ATOM 110 N N . ASN A 1 14 ? 6.792 1.106 -0.658 1.00 98.01 14 A 1 ATOM 111 C CA . ASN A 1 14 ? 7.450 1.075 -1.960 1.00 98.03 14 A 1 ATOM 112 C C . ASN A 1 14 ? 8.333 2.303 -2.155 1.00 98.09 14 A 1 ATOM 113 O O . ASN A 1 14 ? 9.432 2.205 -2.699 1.00 97.39 14 A 1 ATOM 114 C CB . ASN A 1 14 ? 6.407 0.995 -3.073 1.00 97.64 14 A 1 ATOM 115 C CG . ASN A 1 14 ? 6.181 -0.432 -3.505 1.00 93.36 14 A 1 ATOM 116 O OD1 . ASN A 1 14 ? 6.865 -0.936 -4.385 1.00 83.26 14 A 1 ATOM 117 N ND2 . ASN A 1 14 ? 5.225 -1.102 -2.901 1.00 86.07 14 A 1 ATOM 118 N N . PHE A 1 15 ? 7.854 3.437 -1.710 1.00 98.28 15 A 1 ATOM 119 C CA . PHE A 1 15 ? 8.590 4.688 -1.839 1.00 98.18 15 A 1 ATOM 120 C C . PHE A 1 15 ? 9.831 4.700 -0.948 1.00 98.11 15 A 1 ATOM 121 O O . PHE A 1 15 ? 10.878 5.203 -1.352 1.00 97.29 15 A 1 ATOM 122 C CB . PHE A 1 15 ? 7.676 5.857 -1.479 1.00 97.86 15 A 1 ATOM 123 C CG . PHE A 1 15 ? 8.312 7.192 -1.741 1.00 95.04 15 A 1 ATOM 124 C CD1 . PHE A 1 15 ? 8.981 7.873 -0.733 1.00 91.00 15 A 1 ATOM 125 C CD2 . PHE A 1 15 ? 8.251 7.748 -3.009 1.00 91.71 15 A 1 ATOM 126 C CE1 . PHE A 1 15 ? 9.576 9.100 -0.980 1.00 90.82 15 A 1 ATOM 127 C CE2 . PHE A 1 15 ? 8.848 8.976 -3.265 1.00 92.02 15 A 1 ATOM 128 C CZ . PHE A 1 15 ? 9.507 9.651 -2.246 1.00 91.23 15 A 1 ATOM 129 N N . THR A 1 16 ? 9.713 4.148 0.242 1.00 98.02 16 A 1 ATOM 130 C CA . THR A 1 16 ? 10.833 4.136 1.183 1.00 97.87 16 A 1 ATOM 131 C C . THR A 1 16 ? 11.869 3.073 0.829 1.00 97.39 16 A 1 ATOM 132 O O . THR A 1 16 ? 13.055 3.237 1.128 1.00 96.01 16 A 1 ATOM 133 C CB . THR A 1 16 ? 10.326 3.963 2.627 1.00 97.23 16 A 1 ATOM 134 O OG1 . THR A 1 16 ? 11.322 4.490 3.516 1.00 90.53 16 A 1 ATOM 135 C CG2 . THR A 1 16 ? 10.046 2.521 3.006 1.00 87.57 16 A 1 ATOM 136 N N . GLU A 1 17 ? 11.425 1.994 0.207 1.00 97.54 17 A 1 ATOM 137 C CA . GLU A 1 17 ? 12.333 0.913 -0.185 1.00 96.70 17 A 1 ATOM 138 C C . GLU A 1 17 ? 13.030 1.201 -1.510 1.00 95.37 17 A 1 ATOM 139 O O . GLU A 1 17 ? 14.176 0.797 -1.712 1.00 90.92 17 A 1 ATOM 140 C CB . GLU A 1 17 ? 11.565 -0.413 -0.277 1.00 95.13 17 A 1 ATOM 141 C CG . GLU A 1 17 ? 11.385 -1.068 1.087 1.00 87.59 17 A 1 ATOM 142 C CD . GLU A 1 17 ? 11.225 -2.570 0.994 1.00 84.52 17 A 1 ATOM 143 O OE1 . GLU A 1 17 ? 10.765 -3.065 -0.049 1.00 78.57 17 A 1 ATOM 144 O OE2 . GLU A 1 17 ? 11.575 -3.266 1.968 1.00 78.89 17 A 1 ATOM 145 N N . SER A 1 18 ? 12.340 1.893 -2.384 1.00 92.36 18 A 1 ATOM 146 C CA . SER A 1 18 ? 12.867 2.231 -3.706 1.00 90.63 18 A 1 ATOM 147 C C . SER A 1 18 ? 13.054 3.735 -3.839 1.00 84.97 18 A 1 ATOM 148 O O . SER A 1 18 ? 14.023 4.173 -4.482 1.00 78.09 18 A 1 ATOM 149 C CB . SER A 1 18 ? 11.937 1.706 -4.803 1.00 86.14 18 A 1 ATOM 150 O OG . SER A 1 18 ? 12.452 0.550 -5.405 1.00 75.33 18 A 1 ATOM 151 O OXT . SER A 1 18 ? 12.204 4.465 -3.323 1.00 74.25 18 A 1 #