# 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_spkb13127 # _entry.id spkb13127 # 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" "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 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" "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" "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 LEU 3 1 n ARG 4 1 n PHE 5 1 n THR 6 1 n LEU 7 1 n THR 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n VAL 12 1 n THR 13 1 n ILE 14 1 n LEU 15 1 n VAL 16 1 n ALA 17 1 n ALA 18 1 n ILE 19 1 n LEU 20 1 n LEU 21 1 n GLY 22 1 n SER 23 1 n SER 24 1 n GLU 25 1 n ALA 26 # _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 @ 2025-07-09 02:42:13)" _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 93.55 _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 85.69 1 1 A ALA 2 2 96.69 1 2 A LEU 3 2 93.76 1 3 A ARG 4 2 86.52 1 4 A PHE 5 2 93.96 1 5 A THR 6 2 96.17 1 6 A LEU 7 2 95.72 1 7 A THR 8 2 96.42 1 8 A LEU 9 2 95.59 1 9 A LEU 10 2 95.68 1 10 A LEU 11 2 94.55 1 11 A VAL 12 2 98.29 1 12 A THR 13 2 96.55 1 13 A ILE 14 2 97.42 1 14 A LEU 15 2 94.85 1 15 A VAL 16 2 98.24 1 16 A ALA 17 2 98.52 1 17 A ALA 18 2 98.31 1 18 A ILE 19 2 97.19 1 19 A LEU 20 2 96.20 1 20 A LEU 21 2 94.38 1 21 A GLY 22 2 95.40 1 22 A SER 23 2 91.44 1 23 A SER 24 2 89.69 1 24 A GLU 25 2 80.17 1 25 A ALA 26 2 83.03 1 26 # _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 LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n ILE . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n SER . 23 A 23 A 24 1 n SER . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? -5.133 20.946 3.064 1.00 93.66 1 A 1 ATOM 2 C CA . MET A 1 1 ? -4.026 20.015 2.751 1.00 94.64 1 A 1 ATOM 3 C C . MET A 1 1 ? -4.444 18.537 2.827 1.00 95.87 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.621 17.687 3.153 1.00 94.09 1 A 1 ATOM 5 C CB . MET A 1 1 ? -2.835 20.267 3.688 1.00 88.77 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.074 21.549 3.371 1.00 78.63 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.489 21.597 4.228 1.00 73.72 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.191 23.132 3.597 1.00 66.12 1 A 1 ATOM 9 N N . ALA A 1 2 ? -5.689 18.236 2.535 1.00 95.78 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -6.190 16.870 2.709 1.00 97.25 2 A 1 ATOM 11 C C . ALA A 1 2 ? -5.762 15.927 1.578 1.00 97.83 2 A 1 ATOM 12 O O . ALA A 1 2 ? -5.366 14.794 1.838 1.00 96.84 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -7.713 16.917 2.844 1.00 95.76 2 A 1 ATOM 14 N N . LEU A 1 3 ? -5.804 16.399 0.321 1.00 97.75 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -5.542 15.549 -0.845 1.00 97.78 3 A 1 ATOM 16 C C . LEU A 1 3 ? -4.150 14.915 -0.815 1.00 98.06 3 A 1 ATOM 17 O O . LEU A 1 3 ? -4.012 13.704 -0.989 1.00 97.50 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -5.741 16.369 -2.127 1.00 97.28 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -5.589 15.558 -3.420 1.00 90.39 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -6.688 14.511 -3.555 1.00 86.41 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -5.623 16.497 -4.619 1.00 84.94 3 A 1 ATOM 22 N N . ARG A 1 4 ? -3.116 15.727 -0.568 1.00 97.69 4 A 1 ATOM 23 C CA . ARG A 1 4 ? -1.733 15.236 -0.534 1.00 97.79 4 A 1 ATOM 24 C C . ARG A 1 4 ? -1.502 14.267 0.622 1.00 98.11 4 A 1 ATOM 25 O O . ARG A 1 4 ? -0.810 13.267 0.454 1.00 97.76 4 A 1 ATOM 26 C CB . ARG A 1 4 ? -0.756 16.415 -0.476 1.00 97.14 4 A 1 ATOM 27 C CG . ARG A 1 4 ? 0.647 15.988 -0.905 1.00 90.51 4 A 1 ATOM 28 C CD . ARG A 1 4 ? 1.566 17.196 -1.072 1.00 86.71 4 A 1 ATOM 29 N NE . ARG A 1 4 ? 2.071 17.685 0.220 1.00 77.51 4 A 1 ATOM 30 C CZ . ARG A 1 4 ? 3.293 17.456 0.709 1.00 74.42 4 A 1 ATOM 31 N NH1 . ARG A 1 4 ? 4.183 16.740 0.050 1.00 66.83 4 A 1 ATOM 32 N NH2 . ARG A 1 4 ? 3.636 17.949 1.868 1.00 67.27 4 A 1 ATOM 33 N N . PHE A 1 5 ? -2.116 14.543 1.767 1.00 97.73 5 A 1 ATOM 34 C CA . PHE A 1 5 ? -2.061 13.658 2.926 1.00 97.84 5 A 1 ATOM 35 C C . PHE A 1 5 ? -2.725 12.313 2.624 1.00 98.22 5 A 1 ATOM 36 O O . PHE A 1 5 ? -2.135 11.266 2.881 1.00 98.09 5 A 1 ATOM 37 C CB . PHE A 1 5 ? -2.717 14.337 4.131 1.00 97.68 5 A 1 ATOM 38 C CG . PHE A 1 5 ? -2.733 13.468 5.364 1.00 94.99 5 A 1 ATOM 39 C CD1 . PHE A 1 5 ? -1.583 13.330 6.146 1.00 91.29 5 A 1 ATOM 40 C CD2 . PHE A 1 5 ? -3.893 12.776 5.724 1.00 91.40 5 A 1 ATOM 41 C CE1 . PHE A 1 5 ? -1.586 12.509 7.274 1.00 88.73 5 A 1 ATOM 42 C CE2 . PHE A 1 5 ? -3.904 11.947 6.852 1.00 89.31 5 A 1 ATOM 43 C CZ . PHE A 1 5 ? -2.748 11.814 7.627 1.00 88.24 5 A 1 ATOM 44 N N . THR A 1 6 ? -3.916 12.337 2.034 1.00 98.26 6 A 1 ATOM 45 C CA . THR A 1 6 ? -4.645 11.122 1.662 1.00 98.26 6 A 1 ATOM 46 C C . THR A 1 6 ? -3.861 10.284 0.655 1.00 98.45 6 A 1 ATOM 47 O O . THR A 1 6 ? -3.738 9.074 0.830 1.00 98.16 6 A 1 ATOM 48 C CB . THR A 1 6 ? -6.027 11.474 1.091 1.00 97.93 6 A 1 ATOM 49 O OG1 . THR A 1 6 ? -6.747 12.243 2.036 1.00 92.56 6 A 1 ATOM 50 C CG2 . THR A 1 6 ? -6.853 10.230 0.775 1.00 89.56 6 A 1 ATOM 51 N N . LEU A 1 7 ? -3.294 10.914 -0.366 1.00 98.55 7 A 1 ATOM 52 C CA . LEU A 1 7 ? -2.481 10.215 -1.361 1.00 98.54 7 A 1 ATOM 53 C C . LEU A 1 7 ? -1.241 9.574 -0.730 1.00 98.68 7 A 1 ATOM 54 O O . LEU A 1 7 ? -0.917 8.425 -1.031 1.00 98.67 7 A 1 ATOM 55 C CB . LEU A 1 7 ? -2.068 11.185 -2.474 1.00 98.33 7 A 1 ATOM 56 C CG . LEU A 1 7 ? -3.217 11.644 -3.378 1.00 92.39 7 A 1 ATOM 57 C CD1 . LEU A 1 7 ? -2.726 12.745 -4.312 1.00 89.70 7 A 1 ATOM 58 C CD2 . LEU A 1 7 ? -3.777 10.490 -4.207 1.00 90.87 7 A 1 ATOM 59 N N . THR A 1 8 ? -0.581 10.294 0.162 1.00 98.25 8 A 1 ATOM 60 C CA . THR A 1 8 ? 0.585 9.773 0.883 1.00 98.30 8 A 1 ATOM 61 C C . THR A 1 8 ? 0.197 8.594 1.773 1.00 98.54 8 A 1 ATOM 62 O O . THR A 1 8 ? 0.882 7.572 1.775 1.00 98.43 8 A 1 ATOM 63 C CB . THR A 1 8 ? 1.242 10.872 1.726 1.00 97.90 8 A 1 ATOM 64 O OG1 . THR A 1 8 ? 1.589 11.971 0.900 1.00 93.14 8 A 1 ATOM 65 C CG2 . THR A 1 8 ? 2.514 10.381 2.403 1.00 90.39 8 A 1 ATOM 66 N N . LEU A 1 9 ? -0.908 8.709 2.492 1.00 98.58 9 A 1 ATOM 67 C CA . LEU A 1 9 ? -1.413 7.647 3.357 1.00 98.56 9 A 1 ATOM 68 C C . LEU A 1 9 ? -1.746 6.386 2.559 1.00 98.67 9 A 1 ATOM 69 O O . LEU A 1 9 ? -1.379 5.284 2.963 1.00 98.63 9 A 1 ATOM 70 C CB . LEU A 1 9 ? -2.641 8.156 4.124 1.00 98.40 9 A 1 ATOM 71 C CG . LEU A 1 9 ? -3.214 7.161 5.139 1.00 90.74 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? -2.231 6.886 6.273 1.00 89.87 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? -4.516 7.708 5.719 1.00 91.24 9 A 1 ATOM 74 N N . LEU A 1 10 ? -2.408 6.546 1.416 1.00 98.59 10 A 1 ATOM 75 C CA . LEU A 1 10 ? -2.728 5.429 0.529 1.00 98.58 10 A 1 ATOM 76 C C . LEU A 1 10 ? -1.461 4.747 0.010 1.00 98.71 10 A 1 ATOM 77 O O . LEU A 1 10 ? -1.363 3.522 0.046 1.00 98.67 10 A 1 ATOM 78 C CB . LEU A 1 10 ? -3.591 5.920 -0.644 1.00 98.45 10 A 1 ATOM 79 C CG . LEU A 1 10 ? -5.037 6.275 -0.268 1.00 92.25 10 A 1 ATOM 80 C CD1 . LEU A 1 10 ? -5.721 6.962 -1.448 1.00 89.51 10 A 1 ATOM 81 C CD2 . LEU A 1 10 ? -5.837 5.032 0.120 1.00 90.68 10 A 1 ATOM 82 N N . LEU A 1 11 ? -0.489 5.532 -0.425 1.00 98.63 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 0.779 5.005 -0.923 1.00 98.61 11 A 1 ATOM 84 C C . LEU A 1 11 ? 1.517 4.201 0.149 1.00 98.69 11 A 1 ATOM 85 O O . LEU A 1 11 ? 1.979 3.092 -0.114 1.00 98.66 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 1.644 6.166 -1.430 1.00 98.44 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 2.972 5.731 -2.064 1.00 88.40 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 2.741 4.948 -3.356 1.00 86.25 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? 3.828 6.957 -2.361 1.00 88.70 11 A 1 ATOM 90 N N . VAL A 1 12 ? 1.603 4.744 1.360 1.00 98.78 12 A 1 ATOM 91 C CA . VAL A 1 12 ? 2.248 4.065 2.488 1.00 98.76 12 A 1 ATOM 92 C C . VAL A 1 12 ? 1.496 2.788 2.856 1.00 98.80 12 A 1 ATOM 93 O O . VAL A 1 12 ? 2.120 1.751 3.076 1.00 98.63 12 A 1 ATOM 94 C CB . VAL A 1 12 ? 2.370 5.010 3.698 1.00 98.56 12 A 1 ATOM 95 C CG1 . VAL A 1 12 ? 2.841 4.281 4.953 1.00 97.22 12 A 1 ATOM 96 C CG2 . VAL A 1 12 ? 3.353 6.135 3.395 1.00 97.29 12 A 1 ATOM 97 N N . THR A 1 13 ? 0.174 2.836 2.884 1.00 98.61 13 A 1 ATOM 98 C CA . THR A 1 13 ? -0.652 1.666 3.204 1.00 98.57 13 A 1 ATOM 99 C C . THR A 1 13 ? -0.433 0.541 2.193 1.00 98.66 13 A 1 ATOM 100 O O . THR A 1 13 ? -0.249 -0.612 2.585 1.00 98.39 13 A 1 ATOM 101 C CB . THR A 1 13 ? -2.139 2.045 3.257 1.00 98.22 13 A 1 ATOM 102 O OG1 . THR A 1 13 ? -2.344 3.056 4.229 1.00 92.94 13 A 1 ATOM 103 C CG2 . THR A 1 13 ? -3.017 0.862 3.642 1.00 90.45 13 A 1 ATOM 104 N N . ILE A 1 14 ? -0.414 0.864 0.907 1.00 98.62 14 A 1 ATOM 105 C CA . ILE A 1 14 ? -0.165 -0.113 -0.156 1.00 98.59 14 A 1 ATOM 106 C C . ILE A 1 14 ? 1.239 -0.703 -0.019 1.00 98.62 14 A 1 ATOM 107 O O . ILE A 1 14 ? 1.413 -1.918 -0.133 1.00 98.47 14 A 1 ATOM 108 C CB . ILE A 1 14 ? -0.383 0.527 -1.541 1.00 98.50 14 A 1 ATOM 109 C CG1 . ILE A 1 14 ? -1.872 0.873 -1.742 1.00 97.28 14 A 1 ATOM 110 C CG2 . ILE A 1 14 ? 0.093 -0.406 -2.664 1.00 96.60 14 A 1 ATOM 111 C CD1 . ILE A 1 14 ? -2.127 1.835 -2.894 1.00 92.71 14 A 1 ATOM 112 N N . LEU A 1 15 ? 2.223 0.135 0.248 1.00 98.59 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 3.602 -0.310 0.420 1.00 98.48 15 A 1 ATOM 114 C C . LEU A 1 15 ? 3.742 -1.260 1.612 1.00 98.55 15 A 1 ATOM 115 O O . LEU A 1 15 ? 4.350 -2.322 1.485 1.00 98.43 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 4.511 0.917 0.577 1.00 98.30 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 6.003 0.586 0.710 1.00 89.58 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 6.541 -0.102 -0.543 1.00 87.50 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 6.794 1.865 0.965 1.00 89.40 15 A 1 ATOM 120 N N . VAL A 1 16 ? 3.165 -0.905 2.753 1.00 98.67 16 A 1 ATOM 121 C CA . VAL A 1 16 ? 3.195 -1.748 3.954 1.00 98.61 16 A 1 ATOM 122 C C . VAL A 1 16 ? 2.482 -3.074 3.704 1.00 98.64 16 A 1 ATOM 123 O O . VAL A 1 16 ? 3.010 -4.132 4.055 1.00 98.46 16 A 1 ATOM 124 C CB . VAL A 1 16 ? 2.589 -1.006 5.160 1.00 98.37 16 A 1 ATOM 125 C CG1 . VAL A 1 16 ? 2.392 -1.924 6.362 1.00 97.41 16 A 1 ATOM 126 C CG2 . VAL A 1 16 ? 3.491 0.149 5.579 1.00 97.55 16 A 1 ATOM 127 N N . ALA A 1 17 ? 1.316 -3.038 3.065 1.00 98.66 17 A 1 ATOM 128 C CA . ALA A 1 17 ? 0.585 -4.252 2.716 1.00 98.61 17 A 1 ATOM 129 C C . ALA A 1 17 ? 1.400 -5.149 1.778 1.00 98.58 17 A 1 ATOM 130 O O . ALA A 1 17 ? 1.456 -6.362 1.984 1.00 98.32 17 A 1 ATOM 131 C CB . ALA A 1 17 ? -0.759 -3.876 2.087 1.00 98.45 17 A 1 ATOM 132 N N . ALA A 1 18 ? 2.066 -4.567 0.786 1.00 98.54 18 A 1 ATOM 133 C CA . ALA A 1 18 ? 2.914 -5.311 -0.139 1.00 98.43 18 A 1 ATOM 134 C C . ALA A 1 18 ? 4.097 -5.972 0.574 1.00 98.43 18 A 1 ATOM 135 O O . ALA A 1 18 ? 4.425 -7.119 0.279 1.00 98.01 18 A 1 ATOM 136 C CB . ALA A 1 18 ? 3.398 -4.378 -1.249 1.00 98.15 18 A 1 ATOM 137 N N . ILE A 1 19 ? 4.716 -5.285 1.523 1.00 98.49 19 A 1 ATOM 138 C CA . ILE A 1 19 ? 5.818 -5.836 2.316 1.00 98.31 19 A 1 ATOM 139 C C . ILE A 1 19 ? 5.330 -7.000 3.180 1.00 98.30 19 A 1 ATOM 140 O O . ILE A 1 19 ? 5.953 -8.061 3.196 1.00 97.93 19 A 1 ATOM 141 C CB . ILE A 1 19 ? 6.483 -4.739 3.172 1.00 98.12 19 A 1 ATOM 142 C CG1 . ILE A 1 19 ? 7.207 -3.722 2.272 1.00 97.16 19 A 1 ATOM 143 C CG2 . ILE A 1 19 ? 7.469 -5.346 4.178 1.00 96.59 19 A 1 ATOM 144 C CD1 . ILE A 1 19 ? 7.564 -2.419 2.983 1.00 92.59 19 A 1 ATOM 145 N N . LEU A 1 20 ? 4.214 -6.819 3.880 1.00 98.46 20 A 1 ATOM 146 C CA . LEU A 1 20 ? 3.662 -7.851 4.757 1.00 98.23 20 A 1 ATOM 147 C C . LEU A 1 20 ? 3.246 -9.096 3.974 1.00 98.09 20 A 1 ATOM 148 O O . LEU A 1 20 ? 3.613 -10.213 4.343 1.00 97.49 20 A 1 ATOM 149 C CB . LEU A 1 20 ? 2.468 -7.289 5.541 1.00 97.92 20 A 1 ATOM 150 C CG . LEU A 1 20 ? 2.830 -6.236 6.593 1.00 95.59 20 A 1 ATOM 151 C CD1 . LEU A 1 20 ? 1.560 -5.613 7.157 1.00 91.98 20 A 1 ATOM 152 C CD2 . LEU A 1 20 ? 3.647 -6.830 7.731 1.00 91.84 20 A 1 ATOM 153 N N . LEU A 1 21 ? 2.514 -8.907 2.884 1.00 98.01 21 A 1 ATOM 154 C CA . LEU A 1 21 ? 2.066 -10.014 2.042 1.00 97.67 21 A 1 ATOM 155 C C . LEU A 1 21 ? 3.237 -10.665 1.307 1.00 97.22 21 A 1 ATOM 156 O O . LEU A 1 21 ? 3.343 -11.889 1.278 1.00 95.07 21 A 1 ATOM 157 C CB . LEU A 1 21 ? 1.010 -9.520 1.048 1.00 97.13 21 A 1 ATOM 158 C CG . LEU A 1 21 ? -0.305 -9.060 1.690 1.00 93.96 21 A 1 ATOM 159 C CD1 . LEU A 1 21 ? -1.198 -8.407 0.641 1.00 88.67 21 A 1 ATOM 160 C CD2 . LEU A 1 21 ? -1.051 -10.226 2.332 1.00 87.33 21 A 1 ATOM 161 N N . GLY A 1 22 ? 4.142 -9.853 0.756 1.00 96.88 22 A 1 ATOM 162 C CA . GLY A 1 22 ? 5.324 -10.352 0.054 1.00 96.10 22 A 1 ATOM 163 C C . GLY A 1 22 ? 6.272 -11.122 0.962 1.00 95.64 22 A 1 ATOM 164 O O . GLY A 1 22 ? 6.838 -12.134 0.551 1.00 92.97 22 A 1 ATOM 165 N N . SER A 1 23 ? 6.426 -10.689 2.212 1.00 96.49 23 A 1 ATOM 166 C CA . SER A 1 23 ? 7.245 -11.396 3.200 1.00 95.36 23 A 1 ATOM 167 C C . SER A 1 23 ? 6.599 -12.705 3.651 1.00 94.35 23 A 1 ATOM 168 O O . SER A 1 23 ? 7.304 -13.664 3.961 1.00 90.07 23 A 1 ATOM 169 C CB . SER A 1 23 ? 7.499 -10.503 4.411 1.00 93.23 23 A 1 ATOM 170 O OG . SER A 1 23 ? 8.381 -11.138 5.318 1.00 79.17 23 A 1 ATOM 171 N N . SER A 1 24 ? 5.268 -12.759 3.698 1.00 94.53 24 A 1 ATOM 172 C CA . SER A 1 24 ? 4.526 -13.963 4.086 1.00 93.47 24 A 1 ATOM 173 C C . SER A 1 24 ? 4.532 -15.026 2.987 1.00 92.40 24 A 1 ATOM 174 O O . SER A 1 24 ? 4.535 -16.221 3.283 1.00 87.86 24 A 1 ATOM 175 C CB . SER A 1 24 ? 3.091 -13.598 4.442 1.00 91.23 24 A 1 ATOM 176 O OG . SER A 1 24 ? 2.411 -14.726 4.969 1.00 78.63 24 A 1 ATOM 177 N N . GLU A 1 25 ? 4.543 -14.587 1.727 1.00 92.53 25 A 1 ATOM 178 C CA . GLU A 1 25 ? 4.489 -15.458 0.548 1.00 90.04 25 A 1 ATOM 179 C C . GLU A 1 25 ? 5.845 -15.552 -0.165 1.00 87.26 25 A 1 ATOM 180 O O . GLU A 1 25 ? 5.912 -15.901 -1.344 1.00 80.74 25 A 1 ATOM 181 C CB . GLU A 1 25 ? 3.396 -14.960 -0.410 1.00 85.93 25 A 1 ATOM 182 C CG . GLU A 1 25 ? 1.999 -14.932 0.206 1.00 77.79 25 A 1 ATOM 183 C CD . GLU A 1 25 ? 1.445 -16.340 0.437 1.00 73.20 25 A 1 ATOM 184 O OE1 . GLU A 1 25 ? 0.917 -16.929 -0.520 1.00 65.76 25 A 1 ATOM 185 O OE2 . GLU A 1 25 ? 1.546 -16.835 1.569 1.00 68.27 25 A 1 ATOM 186 N N . ALA A 1 26 ? 6.931 -15.240 0.540 1.00 92.47 26 A 1 ATOM 187 C CA . ALA A 1 26 ? 8.280 -15.247 -0.023 1.00 89.25 26 A 1 ATOM 188 C C . ALA A 1 26 ? 8.769 -16.674 -0.326 1.00 83.23 26 A 1 ATOM 189 O O . ALA A 1 26 ? 8.457 -17.604 0.431 1.00 74.70 26 A 1 ATOM 190 C CB . ALA A 1 26 ? 9.243 -14.529 0.919 1.00 83.23 26 A 1 ATOM 191 O OXT . ALA A 1 26 ? 9.498 -16.849 -1.328 1.00 75.28 26 A 1 #