# 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_spkb36488 # _entry.id spkb36488 # 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 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" "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 LEU 3 1 n SER 4 1 n PHE 5 1 n CYS 6 1 n PHE 7 1 n PHE 8 1 n LEU 9 1 n CYS 10 1 n ALA 11 1 n ILE 12 1 n VAL 13 1 n LEU 14 1 n PHE 15 1 n SER 16 1 n PHE 17 1 n ALA 18 1 n GLU 19 1 n ALA 20 # _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 @ 2025-07-06 01:19:53)" _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 91.09 _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 78.00 1 1 A LYS 2 2 82.96 1 2 A LEU 3 2 86.56 1 3 A SER 4 2 93.80 1 4 A PHE 5 2 93.27 1 5 A CYS 6 2 95.63 1 6 A PHE 7 2 93.38 1 7 A PHE 8 2 93.78 1 8 A LEU 9 2 92.07 1 9 A CYS 10 2 94.77 1 10 A ALA 11 2 96.36 1 11 A ILE 12 2 94.59 1 12 A VAL 13 2 96.19 1 13 A LEU 14 2 92.44 1 14 A PHE 15 2 92.65 1 15 A SER 16 2 94.98 1 16 A PHE 17 2 93.05 1 17 A ALA 18 2 95.52 1 18 A GLU 19 2 82.84 1 19 A ALA 20 2 82.87 1 20 # _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 LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n CYS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -8.016 0.816 13.866 1.00 84.91 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.601 0.656 12.512 1.00 87.94 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.663 -0.176 11.640 1.00 90.31 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.552 0.255 11.349 1.00 84.58 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.826 2.020 11.863 1.00 79.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.687 2.941 12.712 1.00 72.77 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.950 4.535 11.922 1.00 65.67 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.274 5.550 13.342 1.00 57.99 1 A 1 ATOM 9 N N . LYS A 1 2 ? -8.106 -1.365 11.253 1.00 90.72 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -7.265 -2.271 10.463 1.00 92.52 2 A 1 ATOM 11 C C . LYS A 1 2 ? -7.260 -1.897 8.981 1.00 92.65 2 A 1 ATOM 12 O O . LYS A 1 2 ? -6.223 -1.967 8.324 1.00 91.11 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -7.750 -3.712 10.656 1.00 89.05 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -7.516 -4.216 12.068 1.00 79.71 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -8.143 -5.565 12.298 1.00 77.35 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -7.897 -6.033 13.717 1.00 70.43 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -8.639 -7.282 14.011 1.00 63.08 2 A 1 ATOM 18 N N . LEU A 1 3 ? -8.405 -1.492 8.458 1.00 90.83 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -8.521 -1.109 7.052 1.00 92.44 3 A 1 ATOM 20 C C . LEU A 1 3 ? -7.710 0.153 6.756 1.00 93.94 3 A 1 ATOM 21 O O . LEU A 1 3 ? -7.016 0.231 5.740 1.00 92.24 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -9.994 -0.898 6.688 1.00 90.65 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -10.266 -1.046 5.191 1.00 81.24 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -10.496 -2.514 4.837 1.00 76.07 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -11.476 -0.220 4.786 1.00 75.08 3 A 1 ATOM 26 N N . SER A 1 4 ? -7.774 1.131 7.655 1.00 95.00 4 A 1 ATOM 27 C CA . SER A 1 4 ? -7.027 2.381 7.502 1.00 96.13 4 A 1 ATOM 28 C C . SER A 1 4 ? -5.522 2.127 7.518 1.00 96.47 4 A 1 ATOM 29 O O . SER A 1 4 ? -4.776 2.733 6.748 1.00 95.91 4 A 1 ATOM 30 C CB . SER A 1 4 ? -7.399 3.362 8.608 1.00 94.79 4 A 1 ATOM 31 O OG . SER A 1 4 ? -8.794 3.591 8.617 1.00 84.52 4 A 1 ATOM 32 N N . PHE A 1 5 ? -5.084 1.208 8.376 1.00 95.64 5 A 1 ATOM 33 C CA . PHE A 1 5 ? -3.678 0.830 8.453 1.00 96.01 5 A 1 ATOM 34 C C . PHE A 1 5 ? -3.223 0.179 7.150 1.00 96.64 5 A 1 ATOM 35 O O . PHE A 1 5 ? -2.148 0.489 6.638 1.00 96.42 5 A 1 ATOM 36 C CB . PHE A 1 5 ? -3.460 -0.119 9.635 1.00 96.02 5 A 1 ATOM 37 C CG . PHE A 1 5 ? -2.050 -0.645 9.710 1.00 93.65 5 A 1 ATOM 38 C CD1 . PHE A 1 5 ? -1.015 0.170 10.155 1.00 90.47 5 A 1 ATOM 39 C CD2 . PHE A 1 5 ? -1.769 -1.944 9.315 1.00 91.30 5 A 1 ATOM 40 C CE1 . PHE A 1 5 ? 0.286 -0.303 10.209 1.00 90.08 5 A 1 ATOM 41 C CE2 . PHE A 1 5 ? -0.463 -2.426 9.363 1.00 89.78 5 A 1 ATOM 42 C CZ . PHE A 1 5 ? 0.563 -1.604 9.810 1.00 89.96 5 A 1 ATOM 43 N N . CYS A 1 6 ? -4.047 -0.708 6.613 1.00 96.08 6 A 1 ATOM 44 C CA . CYS A 1 6 ? -3.741 -1.382 5.355 1.00 96.71 6 A 1 ATOM 45 C C . CYS A 1 6 ? -3.645 -0.376 4.208 1.00 97.14 6 A 1 ATOM 46 O O . CYS A 1 6 ? -2.757 -0.467 3.362 1.00 96.83 6 A 1 ATOM 47 C CB . CYS A 1 6 ? -4.812 -2.432 5.059 1.00 96.34 6 A 1 ATOM 48 S SG . CYS A 1 6 ? -4.348 -3.485 3.669 1.00 90.67 6 A 1 ATOM 49 N N . PHE A 1 7 ? -4.552 0.585 4.203 1.00 96.42 7 A 1 ATOM 50 C CA . PHE A 1 7 ? -4.563 1.644 3.194 1.00 96.62 7 A 1 ATOM 51 C C . PHE A 1 7 ? -3.290 2.487 3.284 1.00 97.01 7 A 1 ATOM 52 O O . PHE A 1 7 ? -2.670 2.798 2.265 1.00 97.01 7 A 1 ATOM 53 C CB . PHE A 1 7 ? -5.802 2.523 3.383 1.00 96.58 7 A 1 ATOM 54 C CG . PHE A 1 7 ? -6.013 3.494 2.250 1.00 93.23 7 A 1 ATOM 55 C CD1 . PHE A 1 7 ? -5.482 4.778 2.309 1.00 89.98 7 A 1 ATOM 56 C CD2 . PHE A 1 7 ? -6.732 3.110 1.127 1.00 90.84 7 A 1 ATOM 57 C CE1 . PHE A 1 7 ? -5.664 5.673 1.259 1.00 90.04 7 A 1 ATOM 58 C CE2 . PHE A 1 7 ? -6.918 4.003 0.072 1.00 89.35 7 A 1 ATOM 59 C CZ . PHE A 1 7 ? -6.382 5.283 0.139 1.00 90.15 7 A 1 ATOM 60 N N . PHE A 1 8 ? -2.901 2.834 4.502 1.00 95.89 8 A 1 ATOM 61 C CA . PHE A 1 8 ? -1.686 3.610 4.746 1.00 96.03 8 A 1 ATOM 62 C C . PHE A 1 8 ? -0.443 2.844 4.298 1.00 96.33 8 A 1 ATOM 63 O O . PHE A 1 8 ? 0.435 3.402 3.638 1.00 96.17 8 A 1 ATOM 64 C CB . PHE A 1 8 ? -1.601 3.954 6.235 1.00 96.23 8 A 1 ATOM 65 C CG . PHE A 1 8 ? -0.415 4.816 6.588 1.00 94.16 8 A 1 ATOM 66 C CD1 . PHE A 1 8 ? -0.332 6.129 6.137 1.00 91.57 8 A 1 ATOM 67 C CD2 . PHE A 1 8 ? 0.609 4.306 7.376 1.00 92.21 8 A 1 ATOM 68 C CE1 . PHE A 1 8 ? 0.757 6.926 6.466 1.00 91.08 8 A 1 ATOM 69 C CE2 . PHE A 1 8 ? 1.704 5.102 7.706 1.00 90.62 8 A 1 ATOM 70 C CZ . PHE A 1 8 ? 1.779 6.409 7.252 1.00 91.30 8 A 1 ATOM 71 N N . LEU A 1 9 ? -0.383 1.568 4.638 1.00 95.02 9 A 1 ATOM 72 C CA . LEU A 1 9 ? 0.738 0.712 4.256 1.00 94.99 9 A 1 ATOM 73 C C . LEU A 1 9 ? 0.807 0.554 2.740 1.00 95.59 9 A 1 ATOM 74 O O . LEU A 1 9 ? 1.885 0.619 2.152 1.00 95.82 9 A 1 ATOM 75 C CB . LEU A 1 9 ? 0.588 -0.654 4.936 1.00 95.03 9 A 1 ATOM 76 C CG . LEU A 1 9 ? 1.809 -1.562 4.802 1.00 88.47 9 A 1 ATOM 77 C CD1 . LEU A 1 9 ? 2.989 -1.004 5.590 1.00 85.47 9 A 1 ATOM 78 C CD2 . LEU A 1 9 ? 1.471 -2.961 5.292 1.00 86.20 9 A 1 ATOM 79 N N . CYS A 1 10 ? -0.336 0.361 2.110 1.00 95.84 10 A 1 ATOM 80 C CA . CYS A 1 10 ? -0.416 0.221 0.658 1.00 96.21 10 A 1 ATOM 81 C C . CYS A 1 10 ? 0.067 1.494 -0.037 1.00 96.59 10 A 1 ATOM 82 O O . CYS A 1 10 ? 0.784 1.432 -1.036 1.00 95.79 10 A 1 ATOM 83 C CB . CYS A 1 10 ? -1.859 -0.105 0.251 1.00 95.38 10 A 1 ATOM 84 S SG . CYS A 1 10 ? -2.000 -0.504 -1.498 1.00 88.83 10 A 1 ATOM 85 N N . ALA A 1 11 ? -0.309 2.643 0.506 1.00 96.44 11 A 1 ATOM 86 C CA . ALA A 1 11 ? 0.100 3.932 -0.046 1.00 96.56 11 A 1 ATOM 87 C C . ALA A 1 11 ? 1.620 4.101 0.012 1.00 96.86 11 A 1 ATOM 88 O O . ALA A 1 11 ? 2.229 4.568 -0.950 1.00 95.85 11 A 1 ATOM 89 C CB . ALA A 1 11 ? -0.601 5.060 0.707 1.00 96.09 11 A 1 ATOM 90 N N . ILE A 1 12 ? 2.233 3.704 1.127 1.00 96.25 12 A 1 ATOM 91 C CA . ILE A 1 12 ? 3.684 3.787 1.293 1.00 96.09 12 A 1 ATOM 92 C C . ILE A 1 12 ? 4.397 2.874 0.298 1.00 96.35 12 A 1 ATOM 93 O O . ILE A 1 12 ? 5.377 3.278 -0.336 1.00 95.45 12 A 1 ATOM 94 C CB . ILE A 1 12 ? 4.089 3.430 2.738 1.00 95.71 12 A 1 ATOM 95 C CG1 . ILE A 1 12 ? 3.590 4.503 3.713 1.00 93.85 12 A 1 ATOM 96 C CG2 . ILE A 1 12 ? 5.611 3.291 2.853 1.00 93.30 12 A 1 ATOM 97 C CD1 . ILE A 1 12 ? 3.693 4.088 5.166 1.00 89.69 12 A 1 ATOM 98 N N . VAL A 1 13 ? 3.906 1.653 0.155 1.00 97.36 13 A 1 ATOM 99 C CA . VAL A 1 13 ? 4.505 0.680 -0.760 1.00 97.17 13 A 1 ATOM 100 C C . VAL A 1 13 ? 4.428 1.180 -2.203 1.00 97.30 13 A 1 ATOM 101 O O . VAL A 1 13 ? 5.423 1.139 -2.935 1.00 96.52 13 A 1 ATOM 102 C CB . VAL A 1 13 ? 3.821 -0.697 -0.624 1.00 96.63 13 A 1 ATOM 103 C CG1 . VAL A 1 13 ? 4.318 -1.666 -1.690 1.00 94.14 13 A 1 ATOM 104 C CG2 . VAL A 1 13 ? 4.088 -1.284 0.753 1.00 94.23 13 A 1 ATOM 105 N N . LEU A 1 14 ? 3.267 1.656 -2.604 1.00 96.60 14 A 1 ATOM 106 C CA . LEU A 1 14 ? 3.073 2.165 -3.961 1.00 96.31 14 A 1 ATOM 107 C C . LEU A 1 14 ? 3.923 3.407 -4.209 1.00 96.19 14 A 1 ATOM 108 O O . LEU A 1 14 ? 4.515 3.558 -5.281 1.00 95.54 14 A 1 ATOM 109 C CB . LEU A 1 14 ? 1.591 2.479 -4.193 1.00 95.80 14 A 1 ATOM 110 C CG . LEU A 1 14 ? 0.690 1.248 -4.286 1.00 89.69 14 A 1 ATOM 111 C CD1 . LEU A 1 14 ? -0.774 1.667 -4.300 1.00 84.43 14 A 1 ATOM 112 C CD2 . LEU A 1 14 ? 1.003 0.435 -5.543 1.00 84.98 14 A 1 ATOM 113 N N . PHE A 1 15 ? 3.997 4.287 -3.216 1.00 96.87 15 A 1 ATOM 114 C CA . PHE A 1 15 ? 4.799 5.501 -3.315 1.00 96.45 15 A 1 ATOM 115 C C . PHE A 1 15 ? 6.278 5.158 -3.450 1.00 96.82 15 A 1 ATOM 116 O O . PHE A 1 15 ? 6.971 5.716 -4.301 1.00 95.80 15 A 1 ATOM 117 C CB . PHE A 1 15 ? 4.560 6.380 -2.086 1.00 95.86 15 A 1 ATOM 118 C CG . PHE A 1 15 ? 5.125 7.767 -2.231 1.00 93.11 15 A 1 ATOM 119 C CD1 . PHE A 1 15 ? 6.412 8.058 -1.794 1.00 89.48 15 A 1 ATOM 120 C CD2 . PHE A 1 15 ? 4.362 8.772 -2.809 1.00 89.42 15 A 1 ATOM 121 C CE1 . PHE A 1 15 ? 6.935 9.337 -1.934 1.00 88.50 15 A 1 ATOM 122 C CE2 . PHE A 1 15 ? 4.887 10.054 -2.952 1.00 88.54 15 A 1 ATOM 123 C CZ . PHE A 1 15 ? 6.170 10.335 -2.516 1.00 88.30 15 A 1 ATOM 124 N N . SER A 1 16 ? 6.754 4.222 -2.641 1.00 96.65 16 A 1 ATOM 125 C CA . SER A 1 16 ? 8.149 3.790 -2.685 1.00 96.56 16 A 1 ATOM 126 C C . SER A 1 16 ? 8.478 3.125 -4.018 1.00 96.67 16 A 1 ATOM 127 O O . SER A 1 16 ? 9.554 3.336 -4.577 1.00 95.45 16 A 1 ATOM 128 C CB . SER A 1 16 ? 8.435 2.821 -1.538 1.00 95.86 16 A 1 ATOM 129 O OG . SER A 1 16 ? 8.235 3.455 -0.289 1.00 88.67 16 A 1 ATOM 130 N N . PHE A 1 17 ? 7.551 2.328 -4.527 1.00 97.00 17 A 1 ATOM 131 C CA . PHE A 1 17 ? 7.726 1.650 -5.808 1.00 96.87 17 A 1 ATOM 132 C C . PHE A 1 17 ? 7.789 2.654 -6.960 1.00 96.99 17 A 1 ATOM 133 O O . PHE A 1 17 ? 8.544 2.462 -7.913 1.00 95.76 17 A 1 ATOM 134 C CB . PHE A 1 17 ? 6.580 0.653 -6.019 1.00 96.30 17 A 1 ATOM 135 C CG . PHE A 1 17 ? 6.767 -0.222 -7.234 1.00 93.86 17 A 1 ATOM 136 C CD1 . PHE A 1 17 ? 7.700 -1.250 -7.229 1.00 89.39 17 A 1 ATOM 137 C CD2 . PHE A 1 17 ? 6.013 -0.001 -8.380 1.00 89.73 17 A 1 ATOM 138 C CE1 . PHE A 1 17 ? 7.882 -2.054 -8.344 1.00 89.44 17 A 1 ATOM 139 C CE2 . PHE A 1 17 ? 6.193 -0.803 -9.507 1.00 89.80 17 A 1 ATOM 140 C CZ . PHE A 1 17 ? 7.126 -1.828 -9.485 1.00 88.45 17 A 1 ATOM 141 N N . ALA A 1 18 ? 6.998 3.716 -6.868 1.00 95.87 18 A 1 ATOM 142 C CA . ALA A 1 18 ? 6.984 4.756 -7.896 1.00 96.08 18 A 1 ATOM 143 C C . ALA A 1 18 ? 8.215 5.663 -7.808 1.00 95.97 18 A 1 ATOM 144 O O . ALA A 1 18 ? 8.706 6.149 -8.828 1.00 94.59 18 A 1 ATOM 145 C CB . ALA A 1 18 ? 5.703 5.579 -7.774 1.00 95.08 18 A 1 ATOM 146 N N . GLU A 1 19 ? 8.696 5.890 -6.589 1.00 93.20 19 A 1 ATOM 147 C CA . GLU A 1 19 ? 9.862 6.751 -6.352 1.00 92.05 19 A 1 ATOM 148 C C . GLU A 1 19 ? 11.174 6.065 -6.723 1.00 90.33 19 A 1 ATOM 149 O O . GLU A 1 19 ? 12.068 6.691 -7.297 1.00 84.62 19 A 1 ATOM 150 C CB . GLU A 1 19 ? 9.900 7.175 -4.874 1.00 89.41 19 A 1 ATOM 151 C CG . GLU A 1 19 ? 8.856 8.223 -4.522 1.00 80.32 19 A 1 ATOM 152 C CD . GLU A 1 19 ? 9.445 9.621 -4.456 1.00 75.69 19 A 1 ATOM 153 O OE1 . GLU A 1 19 ? 10.433 9.821 -3.724 1.00 69.14 19 A 1 ATOM 154 O OE2 . GLU A 1 19 ? 8.909 10.522 -5.130 1.00 70.80 19 A 1 ATOM 155 N N . ALA A 1 20 ? 11.292 4.792 -6.396 1.00 90.74 20 A 1 ATOM 156 C CA . ALA A 1 20 ? 12.512 4.029 -6.616 1.00 89.54 20 A 1 ATOM 157 C C . ALA A 1 20 ? 12.507 3.300 -7.960 1.00 85.28 20 A 1 ATOM 158 O O . ALA A 1 20 ? 11.509 2.630 -8.278 1.00 77.69 20 A 1 ATOM 159 C CB . ALA A 1 20 ? 12.722 3.049 -5.466 1.00 83.61 20 A 1 ATOM 160 O OXT . ALA A 1 20 ? 13.519 3.361 -8.682 1.00 70.38 20 A 1 #