# 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_spkb29516 # _entry.id spkb29516 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 ALA 2 1 n ASN 3 1 n LEU 4 1 n LYS 5 1 n PHE 6 1 n LEU 7 1 n LEU 8 1 n CYS 9 1 n LEU 10 1 n PHE 11 1 n LEU 12 1 n ILE 13 1 n CYS 14 1 n VAL 15 1 n SER 16 1 n LEU 17 1 n SER 18 1 n ARG 19 1 n SER 20 1 n SER 21 1 n ALA 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 @ 2025-07-02 12:22:09)" _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 89.88 _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 78.92 1 1 A ALA 2 2 89.72 1 2 A ASN 3 2 87.49 1 3 A LEU 4 2 87.86 1 4 A LYS 5 2 88.58 1 5 A PHE 6 2 93.97 1 6 A LEU 7 2 92.69 1 7 A LEU 8 2 93.04 1 8 A CYS 9 2 94.69 1 9 A LEU 10 2 92.70 1 10 A PHE 11 2 92.49 1 11 A LEU 12 2 94.43 1 12 A ILE 13 2 95.32 1 13 A CYS 14 2 95.00 1 14 A VAL 15 2 95.19 1 15 A SER 16 2 95.17 1 16 A LEU 17 2 92.66 1 17 A SER 18 2 92.81 1 18 A ARG 19 2 79.76 1 19 A SER 20 2 87.30 1 20 A SER 21 2 83.29 1 21 A ALA 22 2 74.74 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 ALA . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n CYS . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ARG . 19 A 19 A 20 1 n SER . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n ALA . 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 ? -17.708 2.209 2.218 1.00 84.60 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.302 1.816 2.036 1.00 88.34 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.468 2.181 3.262 1.00 89.38 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.221 3.358 3.511 1.00 85.34 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.704 2.494 0.810 1.00 82.15 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.996 3.996 0.740 1.00 73.76 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.292 4.741 -0.726 1.00 67.54 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.134 6.310 -0.742 1.00 60.29 1 A 1 ATOM 9 N N . ALA A 1 2 ? -15.057 1.191 4.027 1.00 87.60 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -14.256 1.410 5.226 1.00 91.37 2 A 1 ATOM 11 C C . ALA A 1 2 ? -13.149 0.364 5.340 1.00 93.12 2 A 1 ATOM 12 O O . ALA A 1 2 ? -11.975 0.702 5.460 1.00 89.60 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -15.147 1.388 6.462 1.00 86.91 2 A 1 ATOM 14 N N . ASN A 1 3 ? -13.534 -0.913 5.305 1.00 92.82 3 A 1 ATOM 15 C CA . ASN A 1 3 ? -12.566 -2.000 5.399 1.00 94.52 3 A 1 ATOM 16 C C . ASN A 1 3 ? -11.621 -2.020 4.194 1.00 94.75 3 A 1 ATOM 17 O O . ASN A 1 3 ? -10.417 -2.241 4.342 1.00 94.10 3 A 1 ATOM 18 C CB . ASN A 1 3 ? -13.284 -3.345 5.538 1.00 92.13 3 A 1 ATOM 19 C CG . ASN A 1 3 ? -14.460 -3.480 4.591 1.00 81.80 3 A 1 ATOM 20 O OD1 . ASN A 1 3 ? -14.478 -2.898 3.524 1.00 75.16 3 A 1 ATOM 21 N ND2 . ASN A 1 3 ? -15.450 -4.255 4.995 1.00 74.61 3 A 1 ATOM 22 N N . LEU A 1 4 ? -12.161 -1.783 3.009 1.00 91.82 4 A 1 ATOM 23 C CA . LEU A 1 4 ? -11.356 -1.764 1.789 1.00 92.68 4 A 1 ATOM 24 C C . LEU A 1 4 ? -10.346 -0.623 1.818 1.00 94.43 4 A 1 ATOM 25 O O . LEU A 1 4 ? -9.206 -0.770 1.370 1.00 93.74 4 A 1 ATOM 26 C CB . LEU A 1 4 ? -12.270 -1.633 0.559 1.00 91.97 4 A 1 ATOM 27 C CG . LEU A 1 4 ? -12.633 -2.956 -0.108 1.00 82.49 4 A 1 ATOM 28 C CD1 . LEU A 1 4 ? -11.391 -3.588 -0.713 1.00 77.06 4 A 1 ATOM 29 C CD2 . LEU A 1 4 ? -13.285 -3.901 0.880 1.00 78.69 4 A 1 ATOM 30 N N . LYS A 1 5 ? -10.767 0.516 2.339 1.00 96.06 5 A 1 ATOM 31 C CA . LYS A 1 5 ? -9.890 1.681 2.450 1.00 96.04 5 A 1 ATOM 32 C C . LYS A 1 5 ? -8.695 1.367 3.349 1.00 96.38 5 A 1 ATOM 33 O O . LYS A 1 5 ? -7.568 1.767 3.058 1.00 96.23 5 A 1 ATOM 34 C CB . LYS A 1 5 ? -10.679 2.864 3.015 1.00 95.83 5 A 1 ATOM 35 C CG . LYS A 1 5 ? -9.923 4.179 2.946 1.00 88.69 5 A 1 ATOM 36 C CD . LYS A 1 5 ? -10.082 4.834 1.588 1.00 83.07 5 A 1 ATOM 37 C CE . LYS A 1 5 ? -9.496 6.234 1.582 1.00 77.41 5 A 1 ATOM 38 N NZ . LYS A 1 5 ? -9.728 6.920 0.292 1.00 67.54 5 A 1 ATOM 39 N N . PHE A 1 6 ? -8.948 0.657 4.446 1.00 95.73 6 A 1 ATOM 40 C CA . PHE A 1 6 ? -7.900 0.286 5.395 1.00 96.16 6 A 1 ATOM 41 C C . PHE A 1 6 ? -6.877 -0.634 4.737 1.00 96.76 6 A 1 ATOM 42 O O . PHE A 1 6 ? -5.669 -0.461 4.914 1.00 96.38 6 A 1 ATOM 43 C CB . PHE A 1 6 ? -8.520 -0.397 6.616 1.00 96.11 6 A 1 ATOM 44 C CG . PHE A 1 6 ? -7.567 -0.481 7.782 1.00 94.98 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? -7.375 0.610 8.615 1.00 91.91 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? -6.866 -1.651 8.033 1.00 92.54 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? -6.496 0.540 9.683 1.00 90.93 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? -5.979 -1.725 9.102 1.00 90.83 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? -5.796 -0.629 9.925 1.00 91.31 6 A 1 ATOM 50 N N . LEU A 1 7 ? -7.363 -1.602 3.972 1.00 96.15 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -6.479 -2.531 3.272 1.00 96.09 7 A 1 ATOM 52 C C . LEU A 1 7 ? -5.591 -1.799 2.271 1.00 96.64 7 A 1 ATOM 53 O O . LEU A 1 7 ? -4.396 -2.093 2.163 1.00 96.68 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -7.311 -3.596 2.549 1.00 96.15 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -7.930 -4.638 3.472 1.00 87.36 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -8.967 -5.458 2.720 1.00 84.53 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -6.850 -5.556 4.034 1.00 87.88 7 A 1 ATOM 58 N N . LEU A 1 8 ? -6.174 -0.855 1.555 1.00 96.58 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -5.427 -0.062 0.584 1.00 96.46 8 A 1 ATOM 60 C C . LEU A 1 8 ? -4.347 0.760 1.276 1.00 96.83 8 A 1 ATOM 61 O O . LEU A 1 8 ? -3.224 0.874 0.788 1.00 96.71 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -6.384 0.858 -0.191 1.00 96.30 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -6.587 0.480 -1.657 1.00 88.81 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -5.293 0.639 -2.435 1.00 85.05 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -7.097 -0.951 -1.761 1.00 87.57 8 A 1 ATOM 66 N N . CYS A 1 9 ? -4.685 1.329 2.417 1.00 96.37 9 A 1 ATOM 67 C CA . CYS A 1 9 ? -3.738 2.130 3.187 1.00 96.59 9 A 1 ATOM 68 C C . CYS A 1 9 ? -2.550 1.279 3.635 1.00 96.93 9 A 1 ATOM 69 O O . CYS A 1 9 ? -1.397 1.697 3.518 1.00 96.30 9 A 1 ATOM 70 C CB . CYS A 1 9 ? -4.442 2.743 4.402 1.00 96.03 9 A 1 ATOM 71 S SG . CYS A 1 9 ? -3.416 3.966 5.238 1.00 85.93 9 A 1 ATOM 72 N N . LEU A 1 10 ? -2.836 0.091 4.149 1.00 96.44 10 A 1 ATOM 73 C CA . LEU A 1 10 ? -1.788 -0.829 4.593 1.00 96.50 10 A 1 ATOM 74 C C . LEU A 1 10 ? -0.906 -1.253 3.423 1.00 96.93 10 A 1 ATOM 75 O O . LEU A 1 10 ? 0.312 -1.366 3.552 1.00 96.79 10 A 1 ATOM 76 C CB . LEU A 1 10 ? -2.419 -2.061 5.257 1.00 96.19 10 A 1 ATOM 77 C CG . LEU A 1 10 ? -2.106 -2.213 6.742 1.00 87.44 10 A 1 ATOM 78 C CD1 . LEU A 1 10 ? -0.625 -2.449 6.964 1.00 84.77 10 A 1 ATOM 79 C CD2 . LEU A 1 10 ? -2.567 -0.976 7.502 1.00 86.53 10 A 1 ATOM 80 N N . PHE A 1 11 ? -1.526 -1.491 2.278 1.00 96.97 11 A 1 ATOM 81 C CA . PHE A 1 11 ? -0.800 -1.886 1.073 1.00 96.97 11 A 1 ATOM 82 C C . PHE A 1 11 ? 0.199 -0.810 0.665 1.00 97.11 11 A 1 ATOM 83 O O . PHE A 1 11 ? 1.344 -1.113 0.323 1.00 96.58 11 A 1 ATOM 84 C CB . PHE A 1 11 ? -1.784 -2.144 -0.068 1.00 96.68 11 A 1 ATOM 85 C CG . PHE A 1 11 ? -1.119 -2.750 -1.281 1.00 91.66 11 A 1 ATOM 86 C CD1 . PHE A 1 11 ? -0.699 -1.944 -2.332 1.00 88.39 11 A 1 ATOM 87 C CD2 . PHE A 1 11 ? -0.907 -4.118 -1.347 1.00 89.43 11 A 1 ATOM 88 C CE1 . PHE A 1 11 ? -0.074 -2.500 -3.440 1.00 87.70 11 A 1 ATOM 89 C CE2 . PHE A 1 11 ? -0.280 -4.672 -2.460 1.00 87.68 11 A 1 ATOM 90 C CZ . PHE A 1 11 ? 0.136 -3.865 -3.502 1.00 88.22 11 A 1 ATOM 91 N N . LEU A 1 12 ? -0.237 0.443 0.714 1.00 97.72 12 A 1 ATOM 92 C CA . LEU A 1 12 ? 0.633 1.560 0.358 1.00 97.61 12 A 1 ATOM 93 C C . LEU A 1 12 ? 1.837 1.634 1.294 1.00 97.61 12 A 1 ATOM 94 O O . LEU A 1 12 ? 2.965 1.872 0.853 1.00 96.94 12 A 1 ATOM 95 C CB . LEU A 1 12 ? -0.156 2.872 0.417 1.00 97.24 12 A 1 ATOM 96 C CG . LEU A 1 12 ? -1.145 3.053 -0.732 1.00 91.81 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? -2.110 4.193 -0.426 1.00 87.41 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? -0.402 3.339 -2.031 1.00 89.10 12 A 1 ATOM 99 N N . ILE A 1 13 ? 1.607 1.428 2.584 1.00 97.76 13 A 1 ATOM 100 C CA . ILE A 1 13 ? 2.678 1.465 3.578 1.00 97.41 13 A 1 ATOM 101 C C . ILE A 1 13 ? 3.667 0.324 3.335 1.00 97.43 13 A 1 ATOM 102 O O . ILE A 1 13 ? 4.884 0.515 3.403 1.00 96.64 13 A 1 ATOM 103 C CB . ILE A 1 13 ? 2.103 1.383 5.009 1.00 96.94 13 A 1 ATOM 104 C CG1 . ILE A 1 13 ? 1.209 2.590 5.304 1.00 94.23 13 A 1 ATOM 105 C CG2 . ILE A 1 13 ? 3.249 1.330 6.028 1.00 93.08 13 A 1 ATOM 106 C CD1 . ILE A 1 13 ? 0.352 2.422 6.545 1.00 89.08 13 A 1 ATOM 107 N N . CYS A 1 14 ? 3.149 -0.860 3.047 1.00 97.20 14 A 1 ATOM 108 C CA . CYS A 1 14 ? 3.996 -2.022 2.795 1.00 97.20 14 A 1 ATOM 109 C C . CYS A 1 14 ? 4.896 -1.802 1.582 1.00 96.92 14 A 1 ATOM 110 O O . CYS A 1 14 ? 6.089 -2.092 1.619 1.00 95.35 14 A 1 ATOM 111 C CB . CYS A 1 14 ? 3.127 -3.264 2.583 1.00 96.63 14 A 1 ATOM 112 S SG . CYS A 1 14 ? 2.346 -3.828 4.100 1.00 86.69 14 A 1 ATOM 113 N N . VAL A 1 15 ? 4.324 -1.291 0.510 1.00 97.70 15 A 1 ATOM 114 C CA . VAL A 1 15 ? 5.088 -1.021 -0.706 1.00 96.96 15 A 1 ATOM 115 C C . VAL A 1 15 ? 6.145 0.047 -0.450 1.00 96.64 15 A 1 ATOM 116 O O . VAL A 1 15 ? 7.287 -0.072 -0.904 1.00 95.21 15 A 1 ATOM 117 C CB . VAL A 1 15 ? 4.159 -0.578 -1.851 1.00 96.21 15 A 1 ATOM 118 C CG1 . VAL A 1 15 ? 4.963 -0.197 -3.085 1.00 91.87 15 A 1 ATOM 119 C CG2 . VAL A 1 15 ? 3.184 -1.690 -2.195 1.00 91.73 15 A 1 ATOM 120 N N . SER A 1 16 ? 5.771 1.075 0.279 1.00 97.08 16 A 1 ATOM 121 C CA . SER A 1 16 ? 6.689 2.161 0.601 1.00 96.79 16 A 1 ATOM 122 C C . SER A 1 16 ? 7.856 1.657 1.449 1.00 96.46 16 A 1 ATOM 123 O O . SER A 1 16 ? 9.010 2.020 1.207 1.00 94.82 16 A 1 ATOM 124 C CB . SER A 1 16 ? 5.950 3.282 1.337 1.00 96.08 16 A 1 ATOM 125 O OG . SER A 1 16 ? 6.785 4.403 1.508 1.00 89.80 16 A 1 ATOM 126 N N . LEU A 1 17 ? 7.562 0.813 2.428 1.00 97.35 17 A 1 ATOM 127 C CA . LEU A 1 17 ? 8.593 0.256 3.303 1.00 96.51 17 A 1 ATOM 128 C C . LEU A 1 17 ? 9.556 -0.625 2.520 1.00 96.16 17 A 1 ATOM 129 O O . LEU A 1 17 ? 10.775 -0.539 2.696 1.00 94.27 17 A 1 ATOM 130 C CB . LEU A 1 17 ? 7.945 -0.552 4.427 1.00 95.67 17 A 1 ATOM 131 C CG . LEU A 1 17 ? 7.337 0.290 5.541 1.00 90.62 17 A 1 ATOM 132 C CD1 . LEU A 1 17 ? 6.444 -0.565 6.430 1.00 84.57 17 A 1 ATOM 133 C CD2 . LEU A 1 17 ? 8.433 0.937 6.376 1.00 86.10 17 A 1 ATOM 134 N N . SER A 1 18 ? 9.016 -1.463 1.656 1.00 96.44 18 A 1 ATOM 135 C CA . SER A 1 18 ? 9.831 -2.356 0.838 1.00 95.80 18 A 1 ATOM 136 C C . SER A 1 18 ? 10.756 -1.569 -0.080 1.00 94.96 18 A 1 ATOM 137 O O . SER A 1 18 ? 11.918 -1.928 -0.273 1.00 92.42 18 A 1 ATOM 138 C CB . SER A 1 18 ? 8.937 -3.275 0.010 1.00 94.17 18 A 1 ATOM 139 O OG . SER A 1 18 ? 9.719 -4.211 -0.694 1.00 83.10 18 A 1 ATOM 140 N N . ARG A 1 19 ? 10.243 -0.500 -0.641 1.00 93.72 19 A 1 ATOM 141 C CA . ARG A 1 19 ? 11.021 0.341 -1.553 1.00 92.61 19 A 1 ATOM 142 C C . ARG A 1 19 ? 12.035 1.189 -0.796 1.00 91.27 19 A 1 ATOM 143 O O . ARG A 1 19 ? 13.129 1.452 -1.301 1.00 87.35 19 A 1 ATOM 144 C CB . ARG A 1 19 ? 10.076 1.231 -2.365 1.00 89.92 19 A 1 ATOM 145 C CG . ARG A 1 19 ? 10.729 1.767 -3.624 1.00 80.26 19 A 1 ATOM 146 C CD . ARG A 1 19 ? 9.696 2.380 -4.555 1.00 77.32 19 A 1 ATOM 147 N NE . ARG A 1 19 ? 10.297 2.716 -5.849 1.00 72.33 19 A 1 ATOM 148 C CZ . ARG A 1 19 ? 9.607 3.135 -6.898 1.00 67.45 19 A 1 ATOM 149 N NH1 . ARG A 1 19 ? 8.299 3.294 -6.826 1.00 62.08 19 A 1 ATOM 150 N NH2 . ARG A 1 19 ? 10.230 3.407 -8.030 1.00 63.00 19 A 1 ATOM 151 N N . SER A 1 20 ? 11.673 1.615 0.399 1.00 92.78 20 A 1 ATOM 152 C CA . SER A 1 20 ? 12.559 2.432 1.228 1.00 91.82 20 A 1 ATOM 153 C C . SER A 1 20 ? 13.726 1.615 1.773 1.00 91.27 20 A 1 ATOM 154 O O . SER A 1 20 ? 14.806 2.151 2.025 1.00 85.78 20 A 1 ATOM 155 C CB . SER A 1 20 ? 11.780 3.058 2.384 1.00 88.28 20 A 1 ATOM 156 O OG . SER A 1 20 ? 10.800 3.952 1.904 1.00 73.86 20 A 1 ATOM 157 N N . SER A 1 21 ? 13.512 0.322 1.947 1.00 89.22 21 A 1 ATOM 158 C CA . SER A 1 21 ? 14.549 -0.573 2.457 1.00 88.01 21 A 1 ATOM 159 C C . SER A 1 21 ? 15.562 -0.897 1.367 1.00 86.60 21 A 1 ATOM 160 O O . SER A 1 21 ? 15.495 -1.949 0.726 1.00 80.62 21 A 1 ATOM 161 C CB . SER A 1 21 ? 13.923 -1.860 2.986 1.00 83.89 21 A 1 ATOM 162 O OG . SER A 1 21 ? 13.041 -1.580 4.050 1.00 71.41 21 A 1 ATOM 163 N N . ALA A 1 22 ? 16.519 0.014 1.168 1.00 83.65 22 A 1 ATOM 164 C CA . ALA A 1 22 ? 17.537 -0.164 0.138 1.00 81.01 22 A 1 ATOM 165 C C . ALA A 1 22 ? 18.925 0.092 0.727 1.00 77.58 22 A 1 ATOM 166 O O . ALA A 1 22 ? 19.797 -0.776 0.624 1.00 70.97 22 A 1 ATOM 167 C CB . ALA A 1 22 ? 17.259 0.755 -1.048 1.00 72.65 22 A 1 ATOM 168 O OXT . ALA A 1 22 ? 19.138 1.160 1.300 1.00 62.59 22 A 1 #