# 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_spkb12345 # _entry.id spkb12345 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" # _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 SER 3 1 n SER 4 1 n LEU 5 1 n ILE 6 1 n PHE 7 1 n LYS 8 1 n LEU 9 1 n PHE 10 1 n PHE 11 1 n PHE 12 1 n SER 13 1 n LEU 14 1 n PHE 15 1 n PHE 16 1 n SER 17 1 n ASN 18 1 n ARG 19 1 n LEU 20 1 n ALA 21 1 n SER 22 # _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 @ 2025-07-08 05:19:10)" _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 89.72 _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 75.48 1 1 A SER 2 2 79.67 1 2 A SER 3 2 85.74 1 3 A SER 4 2 89.79 1 4 A LEU 5 2 90.25 1 5 A ILE 6 2 92.33 1 6 A PHE 7 2 91.43 1 7 A LYS 8 2 88.76 1 8 A LEU 9 2 93.21 1 9 A PHE 10 2 92.15 1 10 A PHE 11 2 90.96 1 11 A PHE 12 2 91.62 1 12 A SER 13 2 94.81 1 13 A LEU 14 2 94.10 1 14 A PHE 15 2 92.64 1 15 A PHE 16 2 91.60 1 16 A SER 17 2 94.52 1 17 A ASN 18 2 91.13 1 18 A ARG 19 2 84.85 1 19 A LEU 20 2 89.58 1 20 A ALA 21 2 92.22 1 21 A SER 22 2 83.52 1 22 # _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 SER . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ASN . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n SER . 22 A 22 # _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 ? 0.533 -18.468 3.080 1.00 84.23 1 A 1 ATOM 2 C CA . MET A 1 1 ? -0.566 -17.631 3.600 1.00 84.78 1 A 1 ATOM 3 C C . MET A 1 1 ? 0.004 -16.384 4.267 1.00 83.66 1 A 1 ATOM 4 O O . MET A 1 1 ? 0.337 -16.410 5.449 1.00 77.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.400 -18.453 4.580 1.00 78.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.627 -17.735 5.098 1.00 71.96 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.715 -18.861 5.967 1.00 65.29 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.826 -17.710 6.752 1.00 58.04 1 A 1 ATOM 9 N N . SER A 1 2 ? 0.112 -15.321 3.532 1.00 79.93 2 A 1 ATOM 10 C CA . SER A 1 2 ? 0.671 -14.068 4.041 1.00 84.80 2 A 1 ATOM 11 C C . SER A 1 2 ? -0.399 -12.982 4.060 1.00 85.85 2 A 1 ATOM 12 O O . SER A 1 2 ? -0.320 -11.999 3.321 1.00 80.79 2 A 1 ATOM 13 C CB . SER A 1 2 ? 1.854 -13.632 3.181 1.00 78.55 2 A 1 ATOM 14 O OG . SER A 1 2 ? 2.819 -14.652 3.083 1.00 68.11 2 A 1 ATOM 15 N N . SER A 1 3 ? -1.401 -13.169 4.914 1.00 88.03 3 A 1 ATOM 16 C CA . SER A 1 3 ? -2.520 -12.233 5.018 1.00 89.99 3 A 1 ATOM 17 C C . SER A 1 3 ? -2.048 -10.823 5.350 1.00 90.58 3 A 1 ATOM 18 O O . SER A 1 3 ? -2.570 -9.846 4.813 1.00 86.10 3 A 1 ATOM 19 C CB . SER A 1 3 ? -3.500 -12.708 6.085 1.00 84.88 3 A 1 ATOM 20 O OG . SER A 1 3 ? -3.811 -14.070 5.908 1.00 74.86 3 A 1 ATOM 21 N N . SER A 1 4 ? -1.052 -10.724 6.216 1.00 90.77 4 A 1 ATOM 22 C CA . SER A 1 4 ? -0.489 -9.431 6.601 1.00 93.24 4 A 1 ATOM 23 C C . SER A 1 4 ? 0.156 -8.723 5.417 1.00 94.59 4 A 1 ATOM 24 O O . SER A 1 4 ? 0.052 -7.505 5.281 1.00 91.84 4 A 1 ATOM 25 C CB . SER A 1 4 ? 0.546 -9.619 7.706 1.00 89.38 4 A 1 ATOM 26 O OG . SER A 1 4 ? 0.022 -10.400 8.754 1.00 78.94 4 A 1 ATOM 27 N N . LEU A 1 5 ? 0.802 -9.489 4.568 1.00 94.04 5 A 1 ATOM 28 C CA . LEU A 1 5 ? 1.463 -8.938 3.388 1.00 94.93 5 A 1 ATOM 29 C C . LEU A 1 5 ? 0.432 -8.420 2.390 1.00 95.90 5 A 1 ATOM 30 O O . LEU A 1 5 ? 0.591 -7.335 1.826 1.00 95.41 5 A 1 ATOM 31 C CB . LEU A 1 5 ? 2.365 -10.007 2.760 1.00 93.72 5 A 1 ATOM 32 C CG . LEU A 1 5 ? 3.740 -9.487 2.340 1.00 86.45 5 A 1 ATOM 33 C CD1 . LEU A 1 5 ? 4.707 -10.641 2.125 1.00 81.13 5 A 1 ATOM 34 C CD2 . LEU A 1 5 ? 3.652 -8.649 1.079 1.00 80.41 5 A 1 ATOM 35 N N . ILE A 1 6 ? -0.628 -9.182 2.195 1.00 94.35 6 A 1 ATOM 36 C CA . ILE A 1 6 ? -1.713 -8.785 1.295 1.00 94.88 6 A 1 ATOM 37 C C . ILE A 1 6 ? -2.379 -7.510 1.799 1.00 95.26 6 A 1 ATOM 38 O O . ILE A 1 6 ? -2.613 -6.568 1.039 1.00 94.60 6 A 1 ATOM 39 C CB . ILE A 1 6 ? -2.747 -9.921 1.168 1.00 93.98 6 A 1 ATOM 40 C CG1 . ILE A 1 6 ? -2.105 -11.188 0.584 1.00 91.28 6 A 1 ATOM 41 C CG2 . ILE A 1 6 ? -3.933 -9.473 0.317 1.00 89.66 6 A 1 ATOM 42 C CD1 . ILE A 1 6 ? -1.598 -11.026 -0.841 1.00 84.62 6 A 1 ATOM 43 N N . PHE A 1 7 ? -2.669 -7.478 3.091 1.00 95.65 7 A 1 ATOM 44 C CA . PHE A 1 7 ? -3.282 -6.313 3.716 1.00 95.59 7 A 1 ATOM 45 C C . PHE A 1 7 ? -2.377 -5.091 3.596 1.00 95.98 7 A 1 ATOM 46 O O . PHE A 1 7 ? -2.839 -4.001 3.259 1.00 95.26 7 A 1 ATOM 47 C CB . PHE A 1 7 ? -3.584 -6.615 5.182 1.00 94.58 7 A 1 ATOM 48 C CG . PHE A 1 7 ? -4.300 -5.490 5.878 1.00 91.69 7 A 1 ATOM 49 C CD1 . PHE A 1 7 ? -5.667 -5.316 5.717 1.00 87.66 7 A 1 ATOM 50 C CD2 . PHE A 1 7 ? -3.599 -4.602 6.683 1.00 87.96 7 A 1 ATOM 51 C CE1 . PHE A 1 7 ? -6.330 -4.271 6.348 1.00 86.37 7 A 1 ATOM 52 C CE2 . PHE A 1 7 ? -4.255 -3.549 7.316 1.00 87.20 7 A 1 ATOM 53 C CZ . PHE A 1 7 ? -5.622 -3.389 7.147 1.00 87.80 7 A 1 ATOM 54 N N . LYS A 1 8 ? -1.099 -5.284 3.857 1.00 95.77 8 A 1 ATOM 55 C CA . LYS A 1 8 ? -0.125 -4.198 3.782 1.00 95.77 8 A 1 ATOM 56 C C . LYS A 1 8 ? -0.027 -3.655 2.356 1.00 96.06 8 A 1 ATOM 57 O O . LYS A 1 8 ? 0.040 -2.443 2.157 1.00 95.16 8 A 1 ATOM 58 C CB . LYS A 1 8 ? 1.231 -4.680 4.284 1.00 95.16 8 A 1 ATOM 59 C CG . LYS A 1 8 ? 2.141 -3.525 4.658 1.00 88.35 8 A 1 ATOM 60 C CD . LYS A 1 8 ? 3.338 -3.983 5.482 1.00 83.02 8 A 1 ATOM 61 C CE . LYS A 1 8 ? 4.446 -4.526 4.594 1.00 78.71 8 A 1 ATOM 62 N NZ . LYS A 1 8 ? 5.676 -4.798 5.385 1.00 70.86 8 A 1 ATOM 63 N N . LEU A 1 9 ? -0.039 -4.549 1.390 1.00 96.19 9 A 1 ATOM 64 C CA . LEU A 1 9 ? 0.029 -4.161 -0.017 1.00 96.23 9 A 1 ATOM 65 C C . LEU A 1 9 ? -1.223 -3.389 -0.423 1.00 96.44 9 A 1 ATOM 66 O O . LEU A 1 9 ? -1.145 -2.370 -1.112 1.00 95.95 9 A 1 ATOM 67 C CB . LEU A 1 9 ? 0.212 -5.416 -0.880 1.00 95.92 9 A 1 ATOM 68 C CG . LEU A 1 9 ? 1.352 -5.300 -1.895 1.00 91.10 9 A 1 ATOM 69 C CD1 . LEU A 1 9 ? 1.682 -6.662 -2.480 1.00 86.24 9 A 1 ATOM 70 C CD2 . LEU A 1 9 ? 1.002 -4.332 -3.011 1.00 87.61 9 A 1 ATOM 71 N N . PHE A 1 10 ? -2.373 -3.864 0.018 1.00 96.03 10 A 1 ATOM 72 C CA . PHE A 1 10 ? -3.646 -3.200 -0.259 1.00 95.77 10 A 1 ATOM 73 C C . PHE A 1 10 ? -3.676 -1.802 0.353 1.00 96.02 10 A 1 ATOM 74 O O . PHE A 1 10 ? -4.054 -0.831 -0.305 1.00 95.31 10 A 1 ATOM 75 C CB . PHE A 1 10 ? -4.791 -4.053 0.293 1.00 95.28 10 A 1 ATOM 76 C CG . PHE A 1 10 ? -6.146 -3.544 -0.117 1.00 92.25 10 A 1 ATOM 77 C CD1 . PHE A 1 10 ? -6.879 -2.718 0.729 1.00 88.40 10 A 1 ATOM 78 C CD2 . PHE A 1 10 ? -6.671 -3.888 -1.356 1.00 89.47 10 A 1 ATOM 79 C CE1 . PHE A 1 10 ? -8.125 -2.241 0.346 1.00 87.73 10 A 1 ATOM 80 C CE2 . PHE A 1 10 ? -7.919 -3.410 -1.743 1.00 88.48 10 A 1 ATOM 81 C CZ . PHE A 1 10 ? -8.643 -2.589 -0.892 1.00 88.88 10 A 1 ATOM 82 N N . PHE A 1 11 ? -3.256 -1.709 1.611 1.00 95.93 11 A 1 ATOM 83 C CA . PHE A 1 11 ? -3.198 -0.432 2.313 1.00 95.96 11 A 1 ATOM 84 C C . PHE A 1 11 ? -2.212 0.512 1.635 1.00 96.04 11 A 1 ATOM 85 O O . PHE A 1 11 ? -2.494 1.698 1.465 1.00 95.25 11 A 1 ATOM 86 C CB . PHE A 1 11 ? -2.801 -0.664 3.769 1.00 95.27 11 A 1 ATOM 87 C CG . PHE A 1 11 ? -3.041 0.542 4.635 1.00 89.98 11 A 1 ATOM 88 C CD1 . PHE A 1 11 ? -2.061 1.516 4.784 1.00 86.26 11 A 1 ATOM 89 C CD2 . PHE A 1 11 ? -4.260 0.696 5.284 1.00 87.22 11 A 1 ATOM 90 C CE1 . PHE A 1 11 ? -2.289 2.640 5.571 1.00 85.62 11 A 1 ATOM 91 C CE2 . PHE A 1 11 ? -4.491 1.817 6.074 1.00 86.57 11 A 1 ATOM 92 C CZ . PHE A 1 11 ? -3.506 2.787 6.216 1.00 86.41 11 A 1 ATOM 93 N N . PHE A 1 12 ? -1.076 -0.023 1.245 1.00 96.37 12 A 1 ATOM 94 C CA . PHE A 1 12 ? -0.057 0.758 0.554 1.00 96.19 12 A 1 ATOM 95 C C . PHE A 1 12 ? -0.591 1.290 -0.774 1.00 96.43 12 A 1 ATOM 96 O O . PHE A 1 12 ? -0.345 2.444 -1.124 1.00 95.50 12 A 1 ATOM 97 C CB . PHE A 1 12 ? 1.183 -0.106 0.327 1.00 95.57 12 A 1 ATOM 98 C CG . PHE A 1 12 ? 2.365 0.687 -0.171 1.00 91.72 12 A 1 ATOM 99 C CD1 . PHE A 1 12 ? 2.613 0.815 -1.535 1.00 87.67 12 A 1 ATOM 100 C CD2 . PHE A 1 12 ? 3.211 1.310 0.735 1.00 88.43 12 A 1 ATOM 101 C CE1 . PHE A 1 12 ? 3.696 1.557 -1.995 1.00 86.56 12 A 1 ATOM 102 C CE2 . PHE A 1 12 ? 4.296 2.055 0.281 1.00 87.02 12 A 1 ATOM 103 C CZ . PHE A 1 12 ? 4.536 2.177 -1.083 1.00 86.33 12 A 1 ATOM 104 N N . SER A 1 13 ? -1.322 0.468 -1.490 1.00 96.69 13 A 1 ATOM 105 C CA . SER A 1 13 ? -1.918 0.871 -2.759 1.00 96.67 13 A 1 ATOM 106 C C . SER A 1 13 ? -2.910 2.018 -2.563 1.00 96.74 13 A 1 ATOM 107 O O . SER A 1 13 ? -2.886 3.002 -3.303 1.00 95.22 13 A 1 ATOM 108 C CB . SER A 1 13 ? -2.614 -0.328 -3.405 1.00 96.18 13 A 1 ATOM 109 O OG . SER A 1 13 ? -3.004 -0.005 -4.721 1.00 87.35 13 A 1 ATOM 110 N N . LEU A 1 14 ? -3.756 1.905 -1.548 1.00 97.21 14 A 1 ATOM 111 C CA . LEU A 1 14 ? -4.717 2.954 -1.215 1.00 96.82 14 A 1 ATOM 112 C C . LEU A 1 14 ? -4.006 4.234 -0.796 1.00 96.77 14 A 1 ATOM 113 O O . LEU A 1 14 ? -4.336 5.325 -1.270 1.00 95.99 14 A 1 ATOM 114 C CB . LEU A 1 14 ? -5.630 2.473 -0.080 1.00 96.50 14 A 1 ATOM 115 C CG . LEU A 1 14 ? -6.869 1.720 -0.556 1.00 92.61 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? -7.530 1.013 0.614 1.00 87.80 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? -7.858 2.688 -1.198 1.00 89.09 14 A 1 ATOM 118 N N . PHE A 1 15 ? -3.030 4.092 0.088 1.00 97.06 15 A 1 ATOM 119 C CA . PHE A 1 15 ? -2.262 5.226 0.582 1.00 96.72 15 A 1 ATOM 120 C C . PHE A 1 15 ? -1.514 5.916 -0.552 1.00 96.71 15 A 1 ATOM 121 O O . PHE A 1 15 ? -1.533 7.142 -0.658 1.00 95.89 15 A 1 ATOM 122 C CB . PHE A 1 15 ? -1.287 4.751 1.655 1.00 96.17 15 A 1 ATOM 123 C CG . PHE A 1 15 ? -0.478 5.872 2.245 1.00 93.23 15 A 1 ATOM 124 C CD1 . PHE A 1 15 ? -1.042 6.737 3.172 1.00 88.19 15 A 1 ATOM 125 C CD2 . PHE A 1 15 ? 0.838 6.064 1.845 1.00 89.70 15 A 1 ATOM 126 C CE1 . PHE A 1 15 ? -0.302 7.781 3.706 1.00 87.52 15 A 1 ATOM 127 C CE2 . PHE A 1 15 ? 1.585 7.113 2.375 1.00 89.43 15 A 1 ATOM 128 C CZ . PHE A 1 15 ? 1.013 7.967 3.305 1.00 88.45 15 A 1 ATOM 129 N N . PHE A 1 16 ? -0.872 5.137 -1.392 1.00 96.75 16 A 1 ATOM 130 C CA . PHE A 1 16 ? -0.118 5.669 -2.520 1.00 96.40 16 A 1 ATOM 131 C C . PHE A 1 16 ? -1.038 6.405 -3.490 1.00 96.51 16 A 1 ATOM 132 O O . PHE A 1 16 ? -0.694 7.482 -3.976 1.00 95.50 16 A 1 ATOM 133 C CB . PHE A 1 16 ? 0.617 4.534 -3.228 1.00 95.59 16 A 1 ATOM 134 C CG . PHE A 1 16 ? 1.563 5.020 -4.294 1.00 92.17 16 A 1 ATOM 135 C CD1 . PHE A 1 16 ? 2.784 5.586 -3.954 1.00 86.79 16 A 1 ATOM 136 C CD2 . PHE A 1 16 ? 1.215 4.918 -5.635 1.00 87.87 16 A 1 ATOM 137 C CE1 . PHE A 1 16 ? 3.654 6.042 -4.933 1.00 86.34 16 A 1 ATOM 138 C CE2 . PHE A 1 16 ? 2.082 5.377 -6.626 1.00 87.16 16 A 1 ATOM 139 C CZ . PHE A 1 16 ? 3.301 5.938 -6.271 1.00 86.51 16 A 1 ATOM 140 N N . SER A 1 17 ? -2.203 5.843 -3.752 1.00 97.08 17 A 1 ATOM 141 C CA . SER A 1 17 ? -3.183 6.465 -4.638 1.00 96.83 17 A 1 ATOM 142 C C . SER A 1 17 ? -3.638 7.816 -4.087 1.00 96.69 17 A 1 ATOM 143 O O . SER A 1 17 ? -3.711 8.801 -4.821 1.00 94.53 17 A 1 ATOM 144 C CB . SER A 1 17 ? -4.384 5.534 -4.828 1.00 95.56 17 A 1 ATOM 145 O OG . SER A 1 17 ? -5.205 6.001 -5.877 1.00 86.40 17 A 1 ATOM 146 N N . ASN A 1 18 ? -3.908 7.861 -2.787 1.00 96.33 18 A 1 ATOM 147 C CA . ASN A 1 18 ? -4.316 9.102 -2.131 1.00 95.96 18 A 1 ATOM 148 C C . ASN A 1 18 ? -3.178 10.121 -2.110 1.00 96.06 18 A 1 ATOM 149 O O . ASN A 1 18 ? -3.391 11.305 -2.363 1.00 94.45 18 A 1 ATOM 150 C CB . ASN A 1 18 ? -4.781 8.804 -0.701 1.00 94.71 18 A 1 ATOM 151 C CG . ASN A 1 18 ? -6.225 8.352 -0.657 1.00 89.85 18 A 1 ATOM 152 O OD1 . ASN A 1 18 ? -7.134 9.158 -0.574 1.00 80.45 18 A 1 ATOM 153 N ND2 . ASN A 1 18 ? -6.450 7.058 -0.704 1.00 81.23 18 A 1 ATOM 154 N N . ARG A 1 19 ? -1.980 9.640 -1.808 1.00 95.99 19 A 1 ATOM 155 C CA . ARG A 1 19 ? -0.810 10.514 -1.735 1.00 95.55 19 A 1 ATOM 156 C C . ARG A 1 19 ? -0.491 11.119 -3.098 1.00 95.22 19 A 1 ATOM 157 O O . ARG A 1 19 ? -0.125 12.289 -3.187 1.00 91.76 19 A 1 ATOM 158 C CB . ARG A 1 19 ? 0.378 9.711 -1.199 1.00 94.53 19 A 1 ATOM 159 C CG . ARG A 1 19 ? 1.519 10.548 -0.662 1.00 86.29 19 A 1 ATOM 160 C CD . ARG A 1 19 ? 1.224 11.106 0.719 1.00 83.19 19 A 1 ATOM 161 N NE . ARG A 1 19 ? 0.326 12.256 0.685 1.00 78.68 19 A 1 ATOM 162 C CZ . ARG A 1 19 ? 0.706 13.524 0.678 1.00 73.37 19 A 1 ATOM 163 N NH1 . ARG A 1 19 ? 1.984 13.854 0.716 1.00 69.96 19 A 1 ATOM 164 N NH2 . ARG A 1 19 ? -0.189 14.482 0.623 1.00 68.84 19 A 1 ATOM 165 N N . LEU A 1 20 ? -0.634 10.325 -4.131 1.00 95.38 20 A 1 ATOM 166 C CA . LEU A 1 20 ? -0.389 10.781 -5.495 1.00 94.82 20 A 1 ATOM 167 C C . LEU A 1 20 ? -1.487 11.733 -5.968 1.00 94.28 20 A 1 ATOM 168 O O . LEU A 1 20 ? -1.228 12.642 -6.760 1.00 92.55 20 A 1 ATOM 169 C CB . LEU A 1 20 ? -0.287 9.562 -6.420 1.00 93.38 20 A 1 ATOM 170 C CG . LEU A 1 20 ? 0.219 9.871 -7.828 1.00 87.63 20 A 1 ATOM 171 C CD1 . LEU A 1 20 ? 1.690 10.273 -7.797 1.00 80.03 20 A 1 ATOM 172 C CD2 . LEU A 1 20 ? 0.034 8.658 -8.722 1.00 78.55 20 A 1 ATOM 173 N N . ALA A 1 21 ? -2.696 11.540 -5.477 1.00 94.09 21 A 1 ATOM 174 C CA . ALA A 1 21 ? -3.849 12.365 -5.843 1.00 93.63 21 A 1 ATOM 175 C C . ALA A 1 21 ? -4.007 13.598 -4.944 1.00 92.82 21 A 1 ATOM 176 O O . ALA A 1 21 ? -5.034 14.279 -5.012 1.00 89.62 21 A 1 ATOM 177 C CB . ALA A 1 21 ? -5.122 11.510 -5.812 1.00 90.92 21 A 1 ATOM 178 N N . SER A 1 22 ? -3.006 13.888 -4.126 1.00 92.09 22 A 1 ATOM 179 C CA . SER A 1 22 ? -3.050 15.038 -3.207 1.00 90.26 22 A 1 ATOM 180 C C . SER A 1 22 ? -2.785 16.351 -3.939 1.00 85.94 22 A 1 ATOM 181 O O . SER A 1 22 ? -1.697 16.937 -3.775 1.00 79.47 22 A 1 ATOM 182 C CB . SER A 1 22 ? -2.048 14.852 -2.073 1.00 85.13 22 A 1 ATOM 183 O OG . SER A 1 22 ? -2.421 13.762 -1.257 1.00 74.78 22 A 1 ATOM 184 O OXT . SER A 1 22 ? -3.690 16.816 -4.664 1.00 76.94 22 A 1 #