# 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_spkb27692 # _entry.id spkb27692 # 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" "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" "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" "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 GLY 2 1 n LEU 3 1 n TRP 4 1 n ALA 5 1 n LEU 6 1 n VAL 7 1 n ALA 8 1 n PHE 9 1 n CYS 10 1 n LEU 11 1 n LEU 12 1 n SER 13 1 n LEU 14 1 n ILE 15 1 n LEU 16 1 n VAL 17 1 n GLY 18 1 n SER 19 1 n ALA 20 # _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 @ 2025-07-12 18:52:29)" _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 95.37 _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 83.68 1 1 A GLY 2 2 96.69 1 2 A LEU 3 2 95.11 1 3 A TRP 4 2 94.43 1 4 A ALA 5 2 98.50 1 5 A LEU 6 2 96.19 1 6 A VAL 7 2 98.00 1 7 A ALA 8 2 98.28 1 8 A PHE 9 2 96.05 1 9 A CYS 10 2 97.69 1 10 A LEU 11 2 96.62 1 11 A LEU 12 2 96.73 1 12 A SER 13 2 97.39 1 13 A LEU 14 2 96.72 1 14 A ILE 15 2 97.56 1 15 A LEU 16 2 96.21 1 16 A VAL 17 2 96.32 1 17 A GLY 18 2 96.44 1 18 A SER 19 2 92.31 1 19 A ALA 20 2 89.65 1 20 # _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 GLY . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n VAL . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n GLY . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -14.571 -2.933 5.245 1.00 90.22 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.862 -3.707 6.286 1.00 91.08 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.371 -3.878 5.984 1.00 91.85 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.595 -4.131 6.897 1.00 87.12 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.518 -5.080 6.444 1.00 86.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.581 -5.060 7.536 1.00 81.28 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.365 -6.663 7.738 1.00 76.21 1 A 1 ATOM 8 C CE . MET A 1 1 ? -17.211 -6.384 9.291 1.00 65.65 1 A 1 ATOM 9 N N . GLY A 1 2 ? -11.971 -3.738 4.745 1.00 95.41 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -10.560 -3.897 4.375 1.00 96.91 2 A 1 ATOM 11 C C . GLY A 1 2 ? -9.933 -2.632 3.803 1.00 97.62 2 A 1 ATOM 12 O O . GLY A 1 2 ? -8.942 -2.699 3.084 1.00 96.80 2 A 1 ATOM 13 N N . LEU A 1 3 ? -10.505 -1.484 4.111 1.00 97.97 3 A 1 ATOM 14 C CA . LEU A 1 3 ? -9.989 -0.202 3.605 1.00 98.17 3 A 1 ATOM 15 C C . LEU A 1 3 ? -8.588 0.079 4.139 1.00 98.46 3 A 1 ATOM 16 O O . LEU A 1 3 ? -7.778 0.720 3.472 1.00 98.18 3 A 1 ATOM 17 C CB . LEU A 1 3 ? -10.957 0.920 4.009 1.00 97.54 3 A 1 ATOM 18 C CG . LEU A 1 3 ? -11.414 1.753 2.817 1.00 92.89 3 A 1 ATOM 19 C CD1 . LEU A 1 3 ? -12.837 2.251 3.046 1.00 89.71 3 A 1 ATOM 20 C CD2 . LEU A 1 3 ? -10.482 2.930 2.603 1.00 87.95 3 A 1 ATOM 21 N N . TRP A 1 4 ? -8.297 -0.431 5.331 1.00 97.74 4 A 1 ATOM 22 C CA . TRP A 1 4 ? -6.985 -0.240 5.951 1.00 97.89 4 A 1 ATOM 23 C C . TRP A 1 4 ? -5.878 -0.877 5.120 1.00 98.21 4 A 1 ATOM 24 O O . TRP A 1 4 ? -4.757 -0.375 5.082 1.00 98.03 4 A 1 ATOM 25 C CB . TRP A 1 4 ? -7.003 -0.831 7.357 1.00 97.26 4 A 1 ATOM 26 C CG . TRP A 1 4 ? -5.916 -0.258 8.197 1.00 95.44 4 A 1 ATOM 27 C CD1 . TRP A 1 4 ? -4.821 -0.922 8.656 1.00 92.72 4 A 1 ATOM 28 C CD2 . TRP A 1 4 ? -5.788 1.103 8.669 1.00 94.01 4 A 1 ATOM 29 N NE1 . TRP A 1 4 ? -4.028 -0.057 9.384 1.00 92.33 4 A 1 ATOM 30 C CE2 . TRP A 1 4 ? -4.591 1.194 9.414 1.00 93.27 4 A 1 ATOM 31 C CE3 . TRP A 1 4 ? -6.574 2.258 8.534 1.00 92.08 4 A 1 ATOM 32 C CZ2 . TRP A 1 4 ? -4.181 2.397 10.010 1.00 91.71 4 A 1 ATOM 33 C CZ3 . TRP A 1 4 ? -6.164 3.450 9.130 1.00 90.74 4 A 1 ATOM 34 C CH2 . TRP A 1 4 ? -4.974 3.520 9.859 1.00 90.63 4 A 1 ATOM 35 N N . ALA A 1 5 ? -6.177 -1.965 4.442 1.00 98.51 5 A 1 ATOM 36 C CA . ALA A 1 5 ? -5.197 -2.637 3.587 1.00 98.56 5 A 1 ATOM 37 C C . ALA A 1 5 ? -4.783 -1.735 2.422 1.00 98.65 5 A 1 ATOM 38 O O . ALA A 1 5 ? -3.608 -1.684 2.059 1.00 98.43 5 A 1 ATOM 39 C CB . ALA A 1 5 ? -5.792 -3.946 3.077 1.00 98.33 5 A 1 ATOM 40 N N . LEU A 1 6 ? -5.736 -1.010 1.864 1.00 98.52 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -5.465 -0.079 0.772 1.00 98.49 6 A 1 ATOM 42 C C . LEU A 1 6 ? -4.589 1.077 1.248 1.00 98.59 6 A 1 ATOM 43 O O . LEU A 1 6 ? -3.631 1.459 0.575 1.00 98.43 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -6.787 0.454 0.212 1.00 98.30 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -6.805 0.477 -1.314 1.00 94.16 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -7.390 -0.819 -1.855 1.00 91.01 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -7.611 1.660 -1.813 1.00 92.02 6 A 1 ATOM 48 N N . VAL A 1 7 ? -4.914 1.614 2.410 1.00 98.53 7 A 1 ATOM 49 C CA . VAL A 1 7 ? -4.148 2.720 2.996 1.00 98.50 7 A 1 ATOM 50 C C . VAL A 1 7 ? -2.719 2.278 3.298 1.00 98.52 7 A 1 ATOM 51 O O . VAL A 1 7 ? -1.765 2.999 2.992 1.00 98.38 7 A 1 ATOM 52 C CB . VAL A 1 7 ? -4.836 3.235 4.271 1.00 98.25 7 A 1 ATOM 53 C CG1 . VAL A 1 7 ? -4.014 4.336 4.930 1.00 97.08 7 A 1 ATOM 54 C CG2 . VAL A 1 7 ? -6.225 3.768 3.945 1.00 96.73 7 A 1 ATOM 55 N N . ALA A 1 8 ? -2.570 1.105 3.875 1.00 98.36 8 A 1 ATOM 56 C CA . ALA A 1 8 ? -1.250 0.564 4.202 1.00 98.36 8 A 1 ATOM 57 C C . ALA A 1 8 ? -0.414 0.346 2.939 1.00 98.42 8 A 1 ATOM 58 O O . ALA A 1 8 ? 0.769 0.677 2.910 1.00 98.15 8 A 1 ATOM 59 C CB . ALA A 1 8 ? -1.419 -0.746 4.968 1.00 98.13 8 A 1 ATOM 60 N N . PHE A 1 9 ? -1.032 -0.194 1.902 1.00 98.19 9 A 1 ATOM 61 C CA . PHE A 1 9 ? -0.345 -0.429 0.631 1.00 98.07 9 A 1 ATOM 62 C C . PHE A 1 9 ? 0.094 0.887 -0.009 1.00 98.33 9 A 1 ATOM 63 O O . PHE A 1 9 ? 1.217 1.001 -0.505 1.00 98.08 9 A 1 ATOM 64 C CB . PHE A 1 9 ? -1.283 -1.196 -0.298 1.00 97.67 9 A 1 ATOM 65 C CG . PHE A 1 9 ? -0.626 -1.540 -1.606 1.00 96.21 9 A 1 ATOM 66 C CD1 . PHE A 1 9 ? 0.349 -2.534 -1.662 1.00 94.43 9 A 1 ATOM 67 C CD2 . PHE A 1 9 ? -0.987 -0.868 -2.769 1.00 94.70 9 A 1 ATOM 68 C CE1 . PHE A 1 9 ? 0.966 -2.851 -2.864 1.00 93.48 9 A 1 ATOM 69 C CE2 . PHE A 1 9 ? -0.368 -1.182 -3.977 1.00 93.42 9 A 1 ATOM 70 C CZ . PHE A 1 9 ? 0.611 -2.171 -4.027 1.00 94.01 9 A 1 ATOM 71 N N . CYS A 1 10 ? -0.783 1.883 0.016 1.00 98.27 10 A 1 ATOM 72 C CA . CYS A 1 10 ? -0.474 3.198 -0.549 1.00 98.31 10 A 1 ATOM 73 C C . CYS A 1 10 ? 0.689 3.856 0.201 1.00 98.47 10 A 1 ATOM 74 O O . CYS A 1 10 ? 1.586 4.427 -0.413 1.00 98.18 10 A 1 ATOM 75 C CB . CYS A 1 10 ? -1.733 4.070 -0.487 1.00 98.11 10 A 1 ATOM 76 S SG . CYS A 1 10 ? -1.692 5.360 -1.744 1.00 94.80 10 A 1 ATOM 77 N N . LEU A 1 11 ? 0.670 3.752 1.516 1.00 98.30 11 A 1 ATOM 78 C CA . LEU A 1 11 ? 1.726 4.313 2.354 1.00 98.32 11 A 1 ATOM 79 C C . LEU A 1 11 ? 3.058 3.619 2.095 1.00 98.47 11 A 1 ATOM 80 O O . LEU A 1 11 ? 4.094 4.275 1.991 1.00 98.33 11 A 1 ATOM 81 C CB . LEU A 1 11 ? 1.333 4.169 3.828 1.00 98.16 11 A 1 ATOM 82 C CG . LEU A 1 11 ? 1.796 5.355 4.673 1.00 94.89 11 A 1 ATOM 83 C CD1 . LEU A 1 11 ? 0.760 6.477 4.614 1.00 93.11 11 A 1 ATOM 84 C CD2 . LEU A 1 11 ? 2.009 4.923 6.111 1.00 93.41 11 A 1 ATOM 85 N N . LEU A 1 12 ? 3.035 2.306 1.980 1.00 98.60 12 A 1 ATOM 86 C CA . LEU A 1 12 ? 4.243 1.520 1.716 1.00 98.49 12 A 1 ATOM 87 C C . LEU A 1 12 ? 4.878 1.921 0.390 1.00 98.61 12 A 1 ATOM 88 O O . LEU A 1 12 ? 6.095 2.093 0.308 1.00 98.45 12 A 1 ATOM 89 C CB . LEU A 1 12 ? 3.882 0.031 1.712 1.00 98.22 12 A 1 ATOM 90 C CG . LEU A 1 12 ? 4.636 -0.760 2.775 1.00 94.96 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? 3.685 -1.644 3.566 1.00 92.99 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? 5.717 -1.607 2.132 1.00 93.52 12 A 1 ATOM 93 N N . SER A 1 13 ? 4.059 2.102 -0.628 1.00 98.51 13 A 1 ATOM 94 C CA . SER A 1 13 ? 4.535 2.531 -1.939 1.00 98.50 13 A 1 ATOM 95 C C . SER A 1 13 ? 5.168 3.919 -1.862 1.00 98.60 13 A 1 ATOM 96 O O . SER A 1 13 ? 6.217 4.168 -2.454 1.00 98.18 13 A 1 ATOM 97 C CB . SER A 1 13 ? 3.382 2.536 -2.938 1.00 98.11 13 A 1 ATOM 98 O OG . SER A 1 13 ? 3.245 1.272 -3.543 1.00 92.42 13 A 1 ATOM 99 N N . LEU A 1 14 ? 4.541 4.813 -1.107 1.00 98.60 14 A 1 ATOM 100 C CA . LEU A 1 14 ? 5.046 6.173 -0.935 1.00 98.51 14 A 1 ATOM 101 C C . LEU A 1 14 ? 6.396 6.168 -0.221 1.00 98.61 14 A 1 ATOM 102 O O . LEU A 1 14 ? 7.307 6.901 -0.609 1.00 98.28 14 A 1 ATOM 103 C CB . LEU A 1 14 ? 4.025 6.993 -0.138 1.00 98.23 14 A 1 ATOM 104 C CG . LEU A 1 14 ? 4.207 8.496 -0.323 1.00 95.20 14 A 1 ATOM 105 C CD1 . LEU A 1 14 ? 3.464 8.968 -1.576 1.00 93.26 14 A 1 ATOM 106 C CD2 . LEU A 1 14 ? 3.694 9.241 0.894 1.00 93.11 14 A 1 ATOM 107 N N . ILE A 1 15 ? 6.534 5.344 0.802 1.00 98.60 15 A 1 ATOM 108 C CA . ILE A 1 15 ? 7.783 5.233 1.556 1.00 98.42 15 A 1 ATOM 109 C C . ILE A 1 15 ? 8.897 4.690 0.667 1.00 98.47 15 A 1 ATOM 110 O O . ILE A 1 15 ? 10.028 5.184 0.709 1.00 98.07 15 A 1 ATOM 111 C CB . ILE A 1 15 ? 7.580 4.340 2.791 1.00 98.09 15 A 1 ATOM 112 C CG1 . ILE A 1 15 ? 6.667 5.040 3.812 1.00 97.25 15 A 1 ATOM 113 C CG2 . ILE A 1 15 ? 8.930 4.018 3.453 1.00 96.77 15 A 1 ATOM 114 C CD1 . ILE A 1 15 ? 6.052 4.075 4.811 1.00 94.81 15 A 1 ATOM 115 N N . LEU A 1 16 ? 8.576 3.696 -0.144 1.00 98.41 16 A 1 ATOM 116 C CA . LEU A 1 16 ? 9.552 3.096 -1.054 1.00 98.22 16 A 1 ATOM 117 C C . LEU A 1 16 ? 10.105 4.127 -2.033 1.00 98.21 16 A 1 ATOM 118 O O . LEU A 1 16 ? 11.316 4.188 -2.261 1.00 97.54 16 A 1 ATOM 119 C CB . LEU A 1 16 ? 8.882 1.936 -1.806 1.00 97.83 16 A 1 ATOM 120 C CG . LEU A 1 16 ? 9.395 0.570 -1.355 1.00 95.47 16 A 1 ATOM 121 C CD1 . LEU A 1 16 ? 8.319 -0.493 -1.512 1.00 92.28 16 A 1 ATOM 122 C CD2 . LEU A 1 16 ? 10.626 0.186 -2.163 1.00 91.72 16 A 1 ATOM 123 N N . VAL A 1 17 ? 9.233 4.942 -2.590 1.00 98.32 17 A 1 ATOM 124 C CA . VAL A 1 17 ? 9.641 5.978 -3.543 1.00 97.94 17 A 1 ATOM 125 C C . VAL A 1 17 ? 10.316 7.146 -2.830 1.00 97.77 17 A 1 ATOM 126 O O . VAL A 1 17 ? 11.298 7.700 -3.328 1.00 96.13 17 A 1 ATOM 127 C CB . VAL A 1 17 ? 8.423 6.461 -4.349 1.00 96.84 17 A 1 ATOM 128 C CG1 . VAL A 1 17 ? 8.810 7.588 -5.300 1.00 93.26 17 A 1 ATOM 129 C CG2 . VAL A 1 17 ? 7.825 5.316 -5.151 1.00 94.01 17 A 1 ATOM 130 N N . GLY A 1 18 ? 9.803 7.521 -1.677 1.00 97.21 18 A 1 ATOM 131 C CA . GLY A 1 18 ? 10.346 8.640 -0.906 1.00 96.71 18 A 1 ATOM 132 C C . GLY A 1 18 ? 11.680 8.326 -0.246 1.00 96.62 18 A 1 ATOM 133 O O . GLY A 1 18 ? 12.432 9.237 0.093 1.00 95.24 18 A 1 ATOM 134 N N . SER A 1 19 ? 11.991 7.055 -0.059 1.00 96.10 19 A 1 ATOM 135 C CA . SER A 1 19 ? 13.247 6.616 0.563 1.00 95.64 19 A 1 ATOM 136 C C . SER A 1 19 ? 14.367 6.435 -0.462 1.00 94.94 19 A 1 ATOM 137 O O . SER A 1 19 ? 15.480 6.051 -0.107 1.00 90.65 19 A 1 ATOM 138 C CB . SER A 1 19 ? 13.022 5.316 1.330 1.00 93.35 19 A 1 ATOM 139 O OG . SER A 1 19 ? 13.655 5.362 2.587 1.00 83.18 19 A 1 ATOM 140 N N . ALA A 1 20 ? 14.093 6.705 -1.718 1.00 95.31 20 A 1 ATOM 141 C CA . ALA A 1 20 ? 15.065 6.557 -2.792 1.00 93.66 20 A 1 ATOM 142 C C . ALA A 1 20 ? 16.041 7.735 -2.839 1.00 91.65 20 A 1 ATOM 143 O O . ALA A 1 20 ? 15.713 8.818 -2.324 1.00 86.29 20 A 1 ATOM 144 C CB . ALA A 1 20 ? 14.342 6.394 -4.122 1.00 89.81 20 A 1 ATOM 145 O OXT . ALA A 1 20 ? 17.139 7.558 -3.402 1.00 81.19 20 A 1 #