# 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_spkb15804 # _entry.id spkb15804 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 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" "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 GLU 2 1 n ASN 3 1 n VAL 4 1 n SER 5 1 n PHE 6 1 n SER 7 1 n LEU 8 1 n ASP 9 1 n ARG 10 1 n THR 11 1 n LEU 12 1 n TRP 13 1 n VAL 14 1 n PHE 15 1 n LEU 16 1 n LEU 17 1 n ALA 18 1 n MET 19 1 n LEU 20 1 n GLY 21 1 n SER 22 1 n THR 23 1 n ALA 24 1 n GLY 25 # _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 00:42:03)" _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 87.31 _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 75.08 1 1 A GLU 2 2 74.51 1 2 A ASN 3 2 80.34 1 3 A VAL 4 2 88.57 1 4 A SER 5 2 87.84 1 5 A PHE 6 2 85.87 1 6 A SER 7 2 90.34 1 7 A LEU 8 2 89.91 1 8 A ASP 9 2 89.39 1 9 A ARG 10 2 83.96 1 10 A THR 11 2 92.49 1 11 A LEU 12 2 91.59 1 12 A TRP 13 2 88.49 1 13 A VAL 14 2 94.97 1 14 A PHE 15 2 90.42 1 15 A LEU 16 2 92.39 1 16 A LEU 17 2 92.87 1 17 A ALA 18 2 95.75 1 18 A MET 19 2 89.75 1 19 A LEU 20 2 91.38 1 20 A GLY 21 2 94.17 1 21 A SER 22 2 87.85 1 22 A THR 23 2 83.70 1 23 A ALA 24 2 82.67 1 24 A GLY 25 2 70.88 1 25 # _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 GLU . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ASP . 9 A 9 A 10 1 n ARG . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n MET . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n GLY . 21 A 21 A 22 1 n SER . 22 A 22 A 23 1 n THR . 23 A 23 A 24 1 n ALA . 24 A 24 A 25 1 n GLY . 25 A 25 # _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 ? -18.132 -3.915 1.881 1.00 80.45 1 A 1 ATOM 2 C CA . MET A 1 1 ? -16.894 -4.604 2.310 1.00 85.26 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.791 -4.529 1.252 1.00 86.03 1 A 1 ATOM 4 O O . MET A 1 1 ? -14.651 -4.307 1.619 1.00 78.12 1 A 1 ATOM 5 C CB . MET A 1 1 ? -17.183 -6.053 2.727 1.00 77.48 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.274 -6.148 4.259 1.00 71.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.007 -7.694 4.841 1.00 64.05 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.578 -7.623 6.583 1.00 57.60 1 A 1 ATOM 9 N N . GLU A 1 2 ? -16.128 -4.593 -0.032 1.00 83.11 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -15.161 -4.590 -1.143 1.00 85.71 2 A 1 ATOM 11 C C . GLU A 1 2 ? -14.283 -3.330 -1.181 1.00 86.73 2 A 1 ATOM 12 O O . GLU A 1 2 ? -13.075 -3.416 -1.394 1.00 81.66 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -15.943 -4.741 -2.451 1.00 79.19 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -16.720 -6.059 -2.478 1.00 69.47 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -17.759 -6.082 -3.597 1.00 65.43 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -17.779 -7.080 -4.337 1.00 58.25 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -18.545 -5.107 -3.668 1.00 61.05 2 A 1 ATOM 18 N N . ASN A 1 3 ? -14.848 -2.145 -0.868 1.00 82.71 3 A 1 ATOM 19 C CA . ASN A 1 3 ? -14.088 -0.892 -0.814 1.00 88.46 3 A 1 ATOM 20 C C . ASN A 1 3 ? -13.024 -0.880 0.292 1.00 89.61 3 A 1 ATOM 21 O O . ASN A 1 3 ? -11.952 -0.312 0.110 1.00 85.23 3 A 1 ATOM 22 C CB . ASN A 1 3 ? -15.066 0.284 -0.631 1.00 83.22 3 A 1 ATOM 23 C CG . ASN A 1 3 ? -15.371 0.972 -1.943 1.00 75.20 3 A 1 ATOM 24 O OD1 . ASN A 1 3 ? -14.495 1.274 -2.722 1.00 69.98 3 A 1 ATOM 25 N ND2 . ASN A 1 3 ? -16.622 1.261 -2.214 1.00 68.31 3 A 1 ATOM 26 N N . VAL A 1 4 ? -13.317 -1.498 1.438 1.00 90.60 4 A 1 ATOM 27 C CA . VAL A 1 4 ? -12.374 -1.568 2.564 1.00 92.27 4 A 1 ATOM 28 C C . VAL A 1 4 ? -11.210 -2.493 2.213 1.00 93.44 4 A 1 ATOM 29 O O . VAL A 1 4 ? -10.059 -2.107 2.402 1.00 91.16 4 A 1 ATOM 30 C CB . VAL A 1 4 ? -13.075 -2.011 3.858 1.00 89.98 4 A 1 ATOM 31 C CG1 . VAL A 1 4 ? -12.093 -2.098 5.030 1.00 81.00 4 A 1 ATOM 32 C CG2 . VAL A 1 4 ? -14.186 -1.030 4.244 1.00 81.52 4 A 1 ATOM 33 N N . SER A 1 5 ? -11.485 -3.650 1.640 1.00 89.53 5 A 1 ATOM 34 C CA . SER A 1 5 ? -10.457 -4.599 1.207 1.00 91.30 5 A 1 ATOM 35 C C . SER A 1 5 ? -9.557 -4.005 0.122 1.00 91.84 5 A 1 ATOM 36 O O . SER A 1 5 ? -8.340 -4.107 0.220 1.00 90.18 5 A 1 ATOM 37 C CB . SER A 1 5 ? -11.102 -5.887 0.694 1.00 88.79 5 A 1 ATOM 38 O OG . SER A 1 5 ? -11.893 -6.472 1.714 1.00 75.39 5 A 1 ATOM 39 N N . PHE A 1 6 ? -10.132 -3.302 -0.859 1.00 91.75 6 A 1 ATOM 40 C CA . PHE A 1 6 ? -9.369 -2.629 -1.914 1.00 91.86 6 A 1 ATOM 41 C C . PHE A 1 6 ? -8.499 -1.491 -1.365 1.00 93.35 6 A 1 ATOM 42 O O . PHE A 1 6 ? -7.350 -1.328 -1.769 1.00 91.56 6 A 1 ATOM 43 C CB . PHE A 1 6 ? -10.351 -2.106 -2.965 1.00 90.14 6 A 1 ATOM 44 C CG . PHE A 1 6 ? -9.660 -1.442 -4.140 1.00 86.60 6 A 1 ATOM 45 C CD1 . PHE A 1 6 ? -9.542 -0.044 -4.201 1.00 82.80 6 A 1 ATOM 46 C CD2 . PHE A 1 6 ? -9.115 -2.234 -5.156 1.00 82.42 6 A 1 ATOM 47 C CE1 . PHE A 1 6 ? -8.884 0.567 -5.281 1.00 78.37 6 A 1 ATOM 48 C CE2 . PHE A 1 6 ? -8.452 -1.627 -6.241 1.00 78.91 6 A 1 ATOM 49 C CZ . PHE A 1 6 ? -8.336 -0.230 -6.301 1.00 76.83 6 A 1 ATOM 50 N N . SER A 1 7 ? -9.021 -0.705 -0.424 1.00 92.25 7 A 1 ATOM 51 C CA . SER A 1 7 ? -8.258 0.366 0.223 1.00 93.45 7 A 1 ATOM 52 C C . SER A 1 7 ? -7.106 -0.192 1.064 1.00 94.53 7 A 1 ATOM 53 O O . SER A 1 7 ? -6.001 0.344 1.019 1.00 92.60 7 A 1 ATOM 54 C CB . SER A 1 7 ? -9.191 1.212 1.086 1.00 91.04 7 A 1 ATOM 55 O OG . SER A 1 7 ? -8.509 2.364 1.545 1.00 78.17 7 A 1 ATOM 56 N N . LEU A 1 8 ? -7.340 -1.282 1.786 1.00 93.80 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -6.332 -1.951 2.612 1.00 94.33 8 A 1 ATOM 58 C C . LEU A 1 8 ? -5.219 -2.551 1.753 1.00 95.07 8 A 1 ATOM 59 O O . LEU A 1 8 ? -4.042 -2.317 2.029 1.00 94.18 8 A 1 ATOM 60 C CB . LEU A 1 8 ? -7.032 -3.015 3.479 1.00 93.33 8 A 1 ATOM 61 C CG . LEU A 1 8 ? -6.740 -2.856 4.980 1.00 86.74 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? -7.836 -3.530 5.802 1.00 81.29 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? -5.403 -3.470 5.358 1.00 80.56 8 A 1 ATOM 64 N N . ASP A 1 9 ? -5.586 -3.245 0.675 1.00 94.33 9 A 1 ATOM 65 C CA . ASP A 1 9 ? -4.632 -3.824 -0.274 1.00 95.40 9 A 1 ATOM 66 C C . ASP A 1 9 ? -3.758 -2.744 -0.920 1.00 96.24 9 A 1 ATOM 67 O O . ASP A 1 9 ? -2.527 -2.823 -0.892 1.00 95.31 9 A 1 ATOM 68 C CB . ASP A 1 9 ? -5.415 -4.609 -1.333 1.00 93.54 9 A 1 ATOM 69 C CG . ASP A 1 9 ? -4.477 -5.456 -2.176 1.00 84.65 9 A 1 ATOM 70 O OD1 . ASP A 1 9 ? -4.126 -4.987 -3.277 1.00 78.84 9 A 1 ATOM 71 O OD2 . ASP A 1 9 ? -4.122 -6.551 -1.700 1.00 76.79 9 A 1 ATOM 72 N N . ARG A 1 10 ? -4.370 -1.652 -1.388 1.00 94.69 10 A 1 ATOM 73 C CA . ARG A 1 10 ? -3.641 -0.516 -1.967 1.00 95.54 10 A 1 ATOM 74 C C . ARG A 1 10 ? -2.731 0.164 -0.934 1.00 96.33 10 A 1 ATOM 75 O O . ARG A 1 10 ? -1.611 0.536 -1.276 1.00 95.08 10 A 1 ATOM 76 C CB . ARG A 1 10 ? -4.654 0.453 -2.593 1.00 94.09 10 A 1 ATOM 77 C CG . ARG A 1 10 ? -3.948 1.523 -3.420 1.00 84.94 10 A 1 ATOM 78 C CD . ARG A 1 10 ? -4.956 2.491 -4.033 1.00 81.88 10 A 1 ATOM 79 N NE . ARG A 1 10 ? -5.249 2.184 -5.442 1.00 76.57 10 A 1 ATOM 80 C CZ . ARG A 1 10 ? -5.869 2.999 -6.281 1.00 71.64 10 A 1 ATOM 81 N NH1 . ARG A 1 10 ? -6.354 4.148 -5.892 1.00 68.47 10 A 1 ATOM 82 N NH2 . ARG A 1 10 ? -6.000 2.686 -7.541 1.00 64.36 10 A 1 ATOM 83 N N . THR A 1 11 ? -3.169 0.306 0.306 1.00 94.61 11 A 1 ATOM 84 C CA . THR A 1 11 ? -2.365 0.915 1.378 1.00 95.19 11 A 1 ATOM 85 C C . THR A 1 11 ? -1.156 0.047 1.718 1.00 95.76 11 A 1 ATOM 86 O O . THR A 1 11 ? -0.050 0.569 1.837 1.00 93.90 11 A 1 ATOM 87 C CB . THR A 1 11 ? -3.207 1.160 2.635 1.00 94.11 11 A 1 ATOM 88 O OG1 . THR A 1 11 ? -4.307 1.989 2.317 1.00 88.38 11 A 1 ATOM 89 C CG2 . THR A 1 11 ? -2.429 1.881 3.732 1.00 85.51 11 A 1 ATOM 90 N N . LEU A 1 12 ? -1.338 -1.267 1.805 1.00 95.36 12 A 1 ATOM 91 C CA . LEU A 1 12 ? -0.238 -2.214 2.011 1.00 95.68 12 A 1 ATOM 92 C C . LEU A 1 12 ? 0.758 -2.172 0.852 1.00 96.14 12 A 1 ATOM 93 O O . LEU A 1 12 ? 1.965 -2.157 1.080 1.00 95.48 12 A 1 ATOM 94 C CB . LEU A 1 12 ? -0.812 -3.631 2.165 1.00 95.21 12 A 1 ATOM 95 C CG . LEU A 1 12 ? -1.459 -3.887 3.534 1.00 87.06 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? -2.206 -5.223 3.501 1.00 83.41 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? -0.408 -3.958 4.645 1.00 84.38 12 A 1 ATOM 98 N N . TRP A 1 13 ? 0.269 -2.084 -0.394 1.00 94.21 13 A 1 ATOM 99 C CA . TRP A 1 13 ? 1.124 -2.002 -1.580 1.00 94.07 13 A 1 ATOM 100 C C . TRP A 1 13 ? 1.949 -0.709 -1.609 1.00 94.93 13 A 1 ATOM 101 O O . TRP A 1 13 ? 3.157 -0.749 -1.841 1.00 94.33 13 A 1 ATOM 102 C CB . TRP A 1 13 ? 0.253 -2.155 -2.827 1.00 93.00 13 A 1 ATOM 103 C CG . TRP A 1 13 ? 0.955 -2.848 -3.938 1.00 90.18 13 A 1 ATOM 104 C CD1 . TRP A 1 13 ? 1.194 -4.178 -3.994 1.00 84.96 13 A 1 ATOM 105 C CD2 . TRP A 1 13 ? 1.539 -2.280 -5.148 1.00 87.42 13 A 1 ATOM 106 N NE1 . TRP A 1 13 ? 1.891 -4.472 -5.158 1.00 84.01 13 A 1 ATOM 107 C CE2 . TRP A 1 13 ? 2.122 -3.346 -5.900 1.00 86.70 13 A 1 ATOM 108 C CE3 . TRP A 1 13 ? 1.627 -0.982 -5.681 1.00 84.26 13 A 1 ATOM 109 C CZ2 . TRP A 1 13 ? 2.773 -3.120 -7.132 1.00 85.98 13 A 1 ATOM 110 C CZ3 . TRP A 1 13 ? 2.272 -0.753 -6.916 1.00 82.18 13 A 1 ATOM 111 C CH2 . TRP A 1 13 ? 2.842 -1.817 -7.631 1.00 82.64 13 A 1 ATOM 112 N N . VAL A 1 14 ? 1.335 0.427 -1.297 1.00 95.65 14 A 1 ATOM 113 C CA . VAL A 1 14 ? 2.035 1.719 -1.189 1.00 95.72 14 A 1 ATOM 114 C C . VAL A 1 14 ? 3.061 1.696 -0.054 1.00 96.33 14 A 1 ATOM 115 O O . VAL A 1 14 ? 4.171 2.194 -0.227 1.00 95.85 14 A 1 ATOM 116 C CB . VAL A 1 14 ? 1.026 2.866 -1.002 1.00 94.93 14 A 1 ATOM 117 C CG1 . VAL A 1 14 ? 1.695 4.204 -0.670 1.00 93.33 14 A 1 ATOM 118 C CG2 . VAL A 1 14 ? 0.214 3.084 -2.288 1.00 93.00 14 A 1 ATOM 119 N N . PHE A 1 15 ? 2.730 1.093 1.078 1.00 94.87 15 A 1 ATOM 120 C CA . PHE A 1 15 ? 3.655 0.953 2.201 1.00 94.73 15 A 1 ATOM 121 C C . PHE A 1 15 ? 4.866 0.081 1.837 1.00 95.14 15 A 1 ATOM 122 O O . PHE A 1 15 ? 6.004 0.463 2.116 1.00 94.65 15 A 1 ATOM 123 C CB . PHE A 1 15 ? 2.893 0.387 3.399 1.00 94.50 15 A 1 ATOM 124 C CG . PHE A 1 15 ? 3.721 0.372 4.664 1.00 91.76 15 A 1 ATOM 125 C CD1 . PHE A 1 15 ? 4.386 -0.799 5.068 1.00 86.85 15 A 1 ATOM 126 C CD2 . PHE A 1 15 ? 3.832 1.544 5.431 1.00 87.33 15 A 1 ATOM 127 C CE1 . PHE A 1 15 ? 5.153 -0.801 6.247 1.00 84.72 15 A 1 ATOM 128 C CE2 . PHE A 1 15 ? 4.597 1.542 6.607 1.00 84.62 15 A 1 ATOM 129 C CZ . PHE A 1 15 ? 5.257 0.369 7.019 1.00 85.45 15 A 1 ATOM 130 N N . LEU A 1 16 ? 4.636 -1.038 1.156 1.00 95.70 16 A 1 ATOM 131 C CA . LEU A 1 16 ? 5.710 -1.900 0.657 1.00 95.51 16 A 1 ATOM 132 C C . LEU A 1 16 ? 6.587 -1.175 -0.368 1.00 95.88 16 A 1 ATOM 133 O O . LEU A 1 16 ? 7.813 -1.246 -0.275 1.00 96.01 16 A 1 ATOM 134 C CB . LEU A 1 16 ? 5.096 -3.169 0.040 1.00 95.11 16 A 1 ATOM 135 C CG . LEU A 1 16 ? 4.617 -4.191 1.085 1.00 88.11 16 A 1 ATOM 136 C CD1 . LEU A 1 16 ? 3.737 -5.243 0.409 1.00 85.94 16 A 1 ATOM 137 C CD2 . LEU A 1 16 ? 5.798 -4.906 1.747 1.00 86.86 16 A 1 ATOM 138 N N . LEU A 1 17 ? 5.998 -0.432 -1.299 1.00 95.93 17 A 1 ATOM 139 C CA . LEU A 1 17 ? 6.741 0.383 -2.261 1.00 95.60 17 A 1 ATOM 140 C C . LEU A 1 17 ? 7.549 1.486 -1.581 1.00 95.75 17 A 1 ATOM 141 O O . LEU A 1 17 ? 8.686 1.722 -1.975 1.00 95.43 17 A 1 ATOM 142 C CB . LEU A 1 17 ? 5.772 1.013 -3.265 1.00 94.80 17 A 1 ATOM 143 C CG . LEU A 1 17 ? 5.292 0.068 -4.370 1.00 89.97 17 A 1 ATOM 144 C CD1 . LEU A 1 17 ? 4.254 0.838 -5.189 1.00 87.89 17 A 1 ATOM 145 C CD2 . LEU A 1 17 ? 6.416 -0.370 -5.307 1.00 87.56 17 A 1 ATOM 146 N N . ALA A 1 18 ? 6.999 2.144 -0.566 1.00 96.28 18 A 1 ATOM 147 C CA . ALA A 1 18 ? 7.717 3.169 0.186 1.00 96.02 18 A 1 ATOM 148 C C . ALA A 1 18 ? 8.920 2.573 0.934 1.00 96.09 18 A 1 ATOM 149 O O . ALA A 1 18 ? 10.006 3.148 0.894 1.00 94.79 18 A 1 ATOM 150 C CB . ALA A 1 18 ? 6.734 3.863 1.138 1.00 95.58 18 A 1 ATOM 151 N N . MET A 1 19 ? 8.752 1.410 1.555 1.00 96.52 19 A 1 ATOM 152 C CA . MET A 1 19 ? 9.850 0.686 2.210 1.00 96.18 19 A 1 ATOM 153 C C . MET A 1 19 ? 10.922 0.245 1.203 1.00 96.21 19 A 1 ATOM 154 O O . MET A 1 19 ? 12.109 0.505 1.414 1.00 95.21 19 A 1 ATOM 155 C CB . MET A 1 19 ? 9.286 -0.534 2.960 1.00 95.35 19 A 1 ATOM 156 C CG . MET A 1 19 ? 8.574 -0.138 4.264 1.00 89.49 19 A 1 ATOM 157 S SD . MET A 1 19 ? 9.718 0.390 5.562 1.00 79.58 19 A 1 ATOM 158 C CE . MET A 1 19 ? 8.587 0.512 6.963 1.00 69.49 19 A 1 ATOM 159 N N . LEU A 1 20 ? 10.518 -0.363 0.092 1.00 95.82 20 A 1 ATOM 160 C CA . LEU A 1 20 ? 11.427 -0.789 -0.975 1.00 95.65 20 A 1 ATOM 161 C C . LEU A 1 20 ? 12.114 0.402 -1.642 1.00 95.46 20 A 1 ATOM 162 O O . LEU A 1 20 ? 13.333 0.383 -1.795 1.00 94.08 20 A 1 ATOM 163 C CB . LEU A 1 20 ? 10.643 -1.622 -2.004 1.00 94.68 20 A 1 ATOM 164 C CG . LEU A 1 20 ? 10.471 -3.087 -1.574 1.00 88.20 20 A 1 ATOM 165 C CD1 . LEU A 1 20 ? 9.277 -3.718 -2.290 1.00 83.93 20 A 1 ATOM 166 C CD2 . LEU A 1 20 ? 11.716 -3.904 -1.920 1.00 83.22 20 A 1 ATOM 167 N N . GLY A 1 21 ? 11.375 1.452 -1.982 1.00 95.68 21 A 1 ATOM 168 C CA . GLY A 1 21 ? 11.916 2.662 -2.602 1.00 94.81 21 A 1 ATOM 169 C C . GLY A 1 21 ? 12.890 3.400 -1.690 1.00 94.49 21 A 1 ATOM 170 O O . GLY A 1 21 ? 13.951 3.821 -2.143 1.00 91.70 21 A 1 ATOM 171 N N . SER A 1 22 ? 12.603 3.467 -0.387 1.00 92.34 22 A 1 ATOM 172 C CA . SER A 1 22 ? 13.523 4.051 0.598 1.00 91.96 22 A 1 ATOM 173 C C . SER A 1 22 ? 14.791 3.218 0.804 1.00 91.12 22 A 1 ATOM 174 O O . SER A 1 22 ? 15.795 3.755 1.266 1.00 86.00 22 A 1 ATOM 175 C CB . SER A 1 22 ? 12.806 4.220 1.940 1.00 89.25 22 A 1 ATOM 176 O OG . SER A 1 22 ? 13.638 4.913 2.850 1.00 76.44 22 A 1 ATOM 177 N N . THR A 1 23 ? 14.756 1.919 0.507 1.00 90.18 23 A 1 ATOM 178 C CA . THR A 1 23 ? 15.891 0.994 0.686 1.00 88.55 23 A 1 ATOM 179 C C . THR A 1 23 ? 16.662 0.760 -0.613 1.00 86.32 23 A 1 ATOM 180 O O . THR A 1 23 ? 17.858 0.479 -0.563 1.00 80.18 23 A 1 ATOM 181 C CB . THR A 1 23 ? 15.408 -0.352 1.256 1.00 85.67 23 A 1 ATOM 182 O OG1 . THR A 1 23 ? 14.588 -0.155 2.389 1.00 78.48 23 A 1 ATOM 183 C CG2 . THR A 1 23 ? 16.552 -1.243 1.726 1.00 76.52 23 A 1 ATOM 184 N N . ALA A 1 24 ? 16.003 0.859 -1.765 1.00 87.76 24 A 1 ATOM 185 C CA . ALA A 1 24 ? 16.585 0.542 -3.073 1.00 84.87 24 A 1 ATOM 186 C C . ALA A 1 24 ? 17.207 1.749 -3.795 1.00 83.04 24 A 1 ATOM 187 O O . ALA A 1 24 ? 17.963 1.541 -4.738 1.00 76.09 24 A 1 ATOM 188 C CB . ALA A 1 24 ? 15.523 -0.155 -3.931 1.00 81.61 24 A 1 ATOM 189 N N . GLY A 1 25 ? 16.918 2.988 -3.356 1.00 83.06 25 A 1 ATOM 190 C CA . GLY A 1 25 ? 17.497 4.205 -3.928 1.00 75.80 25 A 1 ATOM 191 C C . GLY A 1 25 ? 16.464 5.228 -4.357 1.00 68.35 25 A 1 ATOM 192 O O . GLY A 1 25 ? 15.423 4.839 -4.920 1.00 60.45 25 A 1 ATOM 193 O OXT . GLY A 1 25 ? 16.739 6.454 -4.101 1.00 66.73 25 A 1 #