# 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_spkb17434 # _entry.id spkb17434 # 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 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 ARG 2 1 n PHE 3 1 n LEU 4 1 n GLY 5 1 n ASP 6 1 n TYR 7 1 n LYS 8 1 n PHE 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n CYS 14 1 n SER 15 1 n VAL 16 1 n ILE 17 1 n ALA 18 # _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 @ 2025-07-05 11:22:45)" _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 91.20 _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 82.07 1 1 A ARG 2 2 81.53 1 2 A PHE 3 2 87.28 1 3 A LEU 4 2 90.54 1 4 A GLY 5 2 95.01 1 5 A ASP 6 2 92.65 1 6 A TYR 7 2 92.09 1 7 A LYS 8 2 90.60 1 8 A PHE 9 2 93.04 1 9 A ALA 10 2 95.66 1 10 A LEU 11 2 92.58 1 11 A LEU 12 2 92.29 1 12 A THR 13 2 93.61 1 13 A CYS 14 2 96.16 1 14 A SER 15 2 96.01 1 15 A VAL 16 2 95.60 1 16 A ILE 17 2 94.12 1 17 A ALA 18 2 91.93 1 18 # _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 ARG . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n ASP . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n ILE . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -4.029 11.431 -2.283 1.00 87.28 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.818 10.050 -1.812 1.00 88.03 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.343 9.762 -1.559 1.00 89.23 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.596 9.485 -2.490 1.00 86.41 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.330 9.063 -2.848 1.00 83.83 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.834 9.005 -2.897 1.00 80.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.419 7.804 -4.103 1.00 75.84 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.975 8.883 -5.396 1.00 65.26 1 A 1 ATOM 9 N N . ARG A 1 2 ? -1.927 9.875 -0.319 1.00 86.93 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -0.538 9.614 0.051 1.00 91.82 2 A 1 ATOM 11 C C . ARG A 1 2 ? -0.435 8.387 0.946 1.00 93.46 2 A 1 ATOM 12 O O . ARG A 1 2 ? 0.101 7.358 0.544 1.00 91.97 2 A 1 ATOM 13 C CB . ARG A 1 2 ? 0.050 10.828 0.770 1.00 88.70 2 A 1 ATOM 14 C CG . ARG A 1 2 ? 0.278 12.002 -0.138 1.00 81.96 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -0.358 13.250 0.456 1.00 80.94 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -1.201 13.933 -0.511 1.00 75.24 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -0.745 14.744 -1.453 1.00 71.90 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? 0.550 14.987 -1.563 1.00 67.37 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -1.588 15.311 -2.295 1.00 66.49 2 A 1 ATOM 20 N N . PHE A 1 3 ? -0.940 8.516 2.155 1.00 90.39 3 A 1 ATOM 21 C CA . PHE A 1 3 ? -0.899 7.427 3.118 1.00 91.46 3 A 1 ATOM 22 C C . PHE A 1 3 ? -1.844 6.300 2.720 1.00 93.77 3 A 1 ATOM 23 O O . PHE A 1 3 ? -1.484 5.124 2.799 1.00 92.88 3 A 1 ATOM 24 C CB . PHE A 1 3 ? -1.265 7.955 4.501 1.00 89.49 3 A 1 ATOM 25 C CG . PHE A 1 3 ? -0.762 7.075 5.608 1.00 86.16 3 A 1 ATOM 26 C CD1 . PHE A 1 3 ? 0.580 7.055 5.927 1.00 84.46 3 A 1 ATOM 27 C CD2 . PHE A 1 3 ? -1.634 6.275 6.315 1.00 83.61 3 A 1 ATOM 28 C CE1 . PHE A 1 3 ? 1.057 6.245 6.939 1.00 83.34 3 A 1 ATOM 29 C CE2 . PHE A 1 3 ? -1.164 5.456 7.330 1.00 82.62 3 A 1 ATOM 30 C CZ . PHE A 1 3 ? 0.183 5.445 7.643 1.00 81.89 3 A 1 ATOM 31 N N . LEU A 1 4 ? -3.033 6.666 2.276 1.00 93.28 4 A 1 ATOM 32 C CA . LEU A 1 4 ? -4.022 5.683 1.844 1.00 93.89 4 A 1 ATOM 33 C C . LEU A 1 4 ? -3.549 4.923 0.616 1.00 95.34 4 A 1 ATOM 34 O O . LEU A 1 4 ? -3.726 3.709 0.518 1.00 94.58 4 A 1 ATOM 35 C CB . LEU A 1 4 ? -5.350 6.376 1.547 1.00 92.92 4 A 1 ATOM 36 C CG . LEU A 1 4 ? -6.274 6.503 2.751 1.00 88.05 4 A 1 ATOM 37 C CD1 . LEU A 1 4 ? -7.403 7.469 2.444 1.00 83.88 4 A 1 ATOM 38 C CD2 . LEU A 1 4 ? -6.833 5.140 3.123 1.00 82.36 4 A 1 ATOM 39 N N . GLY A 1 5 ? -2.951 5.639 -0.324 1.00 94.00 5 A 1 ATOM 40 C CA . GLY A 1 5 ? -2.436 5.023 -1.540 1.00 94.78 5 A 1 ATOM 41 C C . GLY A 1 5 ? -1.289 4.082 -1.261 1.00 95.98 5 A 1 ATOM 42 O O . GLY A 1 5 ? -1.233 2.973 -1.793 1.00 95.29 5 A 1 ATOM 43 N N . ASP A 1 6 ? -0.368 4.530 -0.418 1.00 94.11 6 A 1 ATOM 44 C CA . ASP A 1 6 ? 0.789 3.722 -0.048 1.00 95.42 6 A 1 ATOM 45 C C . ASP A 1 6 ? 0.371 2.513 0.771 1.00 96.42 6 A 1 ATOM 46 O O . ASP A 1 6 ? 0.944 1.433 0.636 1.00 95.78 6 A 1 ATOM 47 C CB . ASP A 1 6 ? 1.783 4.558 0.748 1.00 94.23 6 A 1 ATOM 48 C CG . ASP A 1 6 ? 2.761 5.285 -0.144 1.00 90.92 6 A 1 ATOM 49 O OD1 . ASP A 1 6 ? 2.617 5.192 -1.376 1.00 87.15 6 A 1 ATOM 50 O OD2 . ASP A 1 6 ? 3.672 5.935 0.393 1.00 87.14 6 A 1 ATOM 51 N N . TYR A 1 7 ? -0.623 2.711 1.607 1.00 94.79 7 A 1 ATOM 52 C CA . TYR A 1 7 ? -1.136 1.632 2.443 1.00 94.99 7 A 1 ATOM 53 C C . TYR A 1 7 ? -1.722 0.519 1.574 1.00 95.74 7 A 1 ATOM 54 O O . TYR A 1 7 ? -1.522 -0.667 1.842 1.00 95.13 7 A 1 ATOM 55 C CB . TYR A 1 7 ? -2.183 2.197 3.409 1.00 94.56 7 A 1 ATOM 56 C CG . TYR A 1 7 ? -3.438 1.360 3.501 1.00 92.69 7 A 1 ATOM 57 C CD1 . TYR A 1 7 ? -3.408 0.111 4.110 1.00 89.97 7 A 1 ATOM 58 C CD2 . TYR A 1 7 ? -4.638 1.820 2.995 1.00 90.34 7 A 1 ATOM 59 C CE1 . TYR A 1 7 ? -4.556 -0.657 4.199 1.00 88.78 7 A 1 ATOM 60 C CE2 . TYR A 1 7 ? -5.790 1.054 3.082 1.00 89.86 7 A 1 ATOM 61 C CZ . TYR A 1 7 ? -5.741 -0.181 3.683 1.00 90.25 7 A 1 ATOM 62 O OH . TYR A 1 7 ? -6.876 -0.941 3.764 1.00 87.99 7 A 1 ATOM 63 N N . LYS A 1 8 ? -2.428 0.911 0.538 1.00 95.14 8 A 1 ATOM 64 C CA . LYS A 1 8 ? -3.033 -0.046 -0.381 1.00 95.36 8 A 1 ATOM 65 C C . LYS A 1 8 ? -1.952 -0.799 -1.138 1.00 95.80 8 A 1 ATOM 66 O O . LYS A 1 8 ? -2.045 -2.010 -1.344 1.00 95.52 8 A 1 ATOM 67 C CB . LYS A 1 8 ? -3.947 0.684 -1.355 1.00 95.24 8 A 1 ATOM 68 C CG . LYS A 1 8 ? -4.959 -0.229 -2.009 1.00 90.96 8 A 1 ATOM 69 C CD . LYS A 1 8 ? -6.131 -0.490 -1.086 1.00 87.45 8 A 1 ATOM 70 C CE . LYS A 1 8 ? -7.236 -1.227 -1.812 1.00 83.85 8 A 1 ATOM 71 N NZ . LYS A 1 8 ? -8.419 -1.390 -0.944 1.00 76.12 8 A 1 ATOM 72 N N . PHE A 1 9 ? -0.932 -0.067 -1.538 1.00 94.81 9 A 1 ATOM 73 C CA . PHE A 1 9 ? 0.197 -0.642 -2.249 1.00 94.58 9 A 1 ATOM 74 C C . PHE A 1 9 ? 0.953 -1.618 -1.356 1.00 95.52 9 A 1 ATOM 75 O O . PHE A 1 9 ? 1.432 -2.653 -1.818 1.00 94.94 9 A 1 ATOM 76 C CB . PHE A 1 9 ? 1.128 0.473 -2.712 1.00 94.15 9 A 1 ATOM 77 C CG . PHE A 1 9 ? 2.446 -0.037 -3.228 1.00 93.38 9 A 1 ATOM 78 C CD1 . PHE A 1 9 ? 2.527 -0.628 -4.474 1.00 91.46 9 A 1 ATOM 79 C CD2 . PHE A 1 9 ? 3.586 0.078 -2.459 1.00 91.83 9 A 1 ATOM 80 C CE1 . PHE A 1 9 ? 3.730 -1.101 -4.961 1.00 91.08 9 A 1 ATOM 81 C CE2 . PHE A 1 9 ? 4.799 -0.400 -2.935 1.00 90.72 9 A 1 ATOM 82 C CZ . PHE A 1 9 ? 4.872 -0.988 -4.183 1.00 90.92 9 A 1 ATOM 83 N N . ALA A 1 10 ? 1.062 -1.274 -0.088 1.00 95.81 10 A 1 ATOM 84 C CA . ALA A 1 10 ? 1.751 -2.123 0.879 1.00 95.50 10 A 1 ATOM 85 C C . ALA A 1 10 ? 1.055 -3.471 1.010 1.00 96.28 10 A 1 ATOM 86 O O . ALA A 1 10 ? 1.707 -4.511 1.086 1.00 95.62 10 A 1 ATOM 87 C CB . ALA A 1 10 ? 1.812 -1.429 2.230 1.00 95.11 10 A 1 ATOM 88 N N . LEU A 1 11 ? -0.256 -3.445 1.032 1.00 94.81 11 A 1 ATOM 89 C CA . LEU A 1 11 ? -1.045 -4.665 1.130 1.00 94.90 11 A 1 ATOM 90 C C . LEU A 1 11 ? -0.900 -5.506 -0.127 1.00 95.57 11 A 1 ATOM 91 O O . LEU A 1 11 ? -0.741 -6.728 -0.059 1.00 95.01 11 A 1 ATOM 92 C CB . LEU A 1 11 ? -2.511 -4.311 1.353 1.00 94.78 11 A 1 ATOM 93 C CG . LEU A 1 11 ? -3.041 -4.645 2.740 1.00 89.89 11 A 1 ATOM 94 C CD1 . LEU A 1 11 ? -4.391 -3.990 2.960 1.00 87.57 11 A 1 ATOM 95 C CD2 . LEU A 1 11 ? -3.147 -6.150 2.918 1.00 88.08 11 A 1 ATOM 96 N N . LEU A 1 12 ? -0.954 -4.840 -1.271 1.00 95.16 12 A 1 ATOM 97 C CA . LEU A 1 12 ? -0.818 -5.517 -2.555 1.00 94.60 12 A 1 ATOM 98 C C . LEU A 1 12 ? 0.559 -6.133 -2.712 1.00 95.61 12 A 1 ATOM 99 O O . LEU A 1 12 ? 0.690 -7.278 -3.147 1.00 94.78 12 A 1 ATOM 100 C CB . LEU A 1 12 ? -1.075 -4.529 -3.688 1.00 94.30 12 A 1 ATOM 101 C CG . LEU A 1 12 ? -2.533 -4.434 -4.118 1.00 89.43 12 A 1 ATOM 102 C CD1 . LEU A 1 12 ? -2.778 -3.148 -4.889 1.00 86.70 12 A 1 ATOM 103 C CD2 . LEU A 1 12 ? -2.903 -5.636 -4.972 1.00 87.75 12 A 1 ATOM 104 N N . THR A 1 13 ? 1.576 -5.372 -2.356 1.00 96.15 13 A 1 ATOM 105 C CA . THR A 1 13 ? 2.951 -5.840 -2.485 1.00 95.99 13 A 1 ATOM 106 C C . THR A 1 13 ? 3.199 -7.036 -1.572 1.00 96.50 13 A 1 ATOM 107 O O . THR A 1 13 ? 3.885 -7.982 -1.945 1.00 95.50 13 A 1 ATOM 108 C CB . THR A 1 13 ? 3.939 -4.701 -2.185 1.00 94.81 13 A 1 ATOM 109 O OG1 . THR A 1 13 ? 5.172 -4.969 -2.852 1.00 88.03 13 A 1 ATOM 110 C CG2 . THR A 1 13 ? 4.207 -4.547 -0.706 1.00 88.30 13 A 1 ATOM 111 N N . CYS A 1 14 ? 2.631 -7.002 -0.382 1.00 97.01 14 A 1 ATOM 112 C CA . CYS A 1 14 ? 2.778 -8.086 0.576 1.00 97.13 14 A 1 ATOM 113 C C . CYS A 1 14 ? 2.062 -9.339 0.084 1.00 97.48 14 A 1 ATOM 114 O O . CYS A 1 14 ? 2.542 -10.455 0.280 1.00 96.52 14 A 1 ATOM 115 C CB . CYS A 1 14 ? 2.228 -7.662 1.931 1.00 96.20 14 A 1 ATOM 116 S SG . CYS A 1 14 ? 3.070 -8.460 3.301 1.00 92.64 14 A 1 ATOM 117 N N . SER A 1 15 ? 0.925 -9.143 -0.549 1.00 97.19 15 A 1 ATOM 118 C CA . SER A 1 15 ? 0.141 -10.246 -1.091 1.00 97.38 15 A 1 ATOM 119 C C . SER A 1 15 ? 0.846 -10.893 -2.276 1.00 97.77 15 A 1 ATOM 120 O O . SER A 1 15 ? 0.849 -12.115 -2.411 1.00 96.96 15 A 1 ATOM 121 C CB . SER A 1 15 ? -1.236 -9.756 -1.521 1.00 96.57 15 A 1 ATOM 122 O OG . SER A 1 15 ? -2.041 -9.468 -0.406 1.00 90.20 15 A 1 ATOM 123 N N . VAL A 1 16 ? 1.443 -10.077 -3.124 1.00 96.96 16 A 1 ATOM 124 C CA . VAL A 1 16 ? 2.161 -10.566 -4.299 1.00 97.13 16 A 1 ATOM 125 C C . VAL A 1 16 ? 3.427 -11.309 -3.894 1.00 97.53 16 A 1 ATOM 126 O O . VAL A 1 16 ? 3.756 -12.356 -4.460 1.00 96.71 16 A 1 ATOM 127 C CB . VAL A 1 16 ? 2.511 -9.410 -5.247 1.00 96.05 16 A 1 ATOM 128 C CG1 . VAL A 1 16 ? 3.381 -9.896 -6.394 1.00 92.29 16 A 1 ATOM 129 C CG2 . VAL A 1 16 ? 1.250 -8.770 -5.793 1.00 92.52 16 A 1 ATOM 130 N N . ILE A 1 17 ? 4.137 -10.757 -2.926 1.00 96.79 17 A 1 ATOM 131 C CA . ILE A 1 17 ? 5.374 -11.359 -2.451 1.00 96.40 17 A 1 ATOM 132 C C . ILE A 1 17 ? 5.103 -12.662 -1.710 1.00 96.61 17 A 1 ATOM 133 O O . ILE A 1 17 ? 5.809 -13.657 -1.899 1.00 96.06 17 A 1 ATOM 134 C CB . ILE A 1 17 ? 6.139 -10.383 -1.541 1.00 95.55 17 A 1 ATOM 135 C CG1 . ILE A 1 17 ? 6.589 -9.156 -2.336 1.00 92.73 17 A 1 ATOM 136 C CG2 . ILE A 1 17 ? 7.354 -11.082 -0.930 1.00 91.37 17 A 1 ATOM 137 C CD1 . ILE A 1 17 ? 7.009 -7.997 -1.460 1.00 87.48 17 A 1 ATOM 138 N N . ALA A 1 18 ? 4.109 -12.647 -0.876 1.00 95.80 18 A 1 ATOM 139 C CA . ALA A 1 18 ? 3.737 -13.815 -0.082 1.00 94.96 18 A 1 ATOM 140 C C . ALA A 1 18 ? 2.798 -14.714 -0.875 1.00 93.96 18 A 1 ATOM 141 O O . ALA A 1 18 ? 3.184 -15.848 -1.210 1.00 91.19 18 A 1 ATOM 142 C CB . ALA A 1 18 ? 3.097 -13.378 1.231 1.00 92.24 18 A 1 ATOM 143 O OXT . ALA A 1 18 ? 1.674 -14.299 -1.139 1.00 83.41 18 A 1 #