# 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_spkb17813 # _entry.id spkb17813 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)O)N ? "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" "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 ARG 2 1 n ILE 3 1 n TRP 4 1 n SER 5 1 n LEU 6 1 n THR 7 1 n ARG 8 1 n ILE 9 1 n LEU 10 1 n THR 11 1 n PHE 12 1 n ILE 13 1 n VAL 14 1 n ILE 15 1 n PHE 16 1 n ASN 17 1 n PHE 18 1 n ALA 19 1 n GLU 20 1 n ALA 21 # _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 @ 2025-07-10 00:57:18)" _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 94.48 _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 87.17 1 1 A ARG 2 2 83.76 1 2 A ILE 3 2 93.11 1 3 A TRP 4 2 90.98 1 4 A SER 5 2 95.45 1 5 A LEU 6 2 95.50 1 6 A THR 7 2 97.13 1 7 A ARG 8 2 91.96 1 8 A ILE 9 2 97.80 1 9 A LEU 10 2 96.67 1 10 A THR 11 2 97.45 1 11 A PHE 12 2 96.76 1 12 A ILE 13 2 97.92 1 13 A VAL 14 2 98.43 1 14 A ILE 15 2 97.96 1 15 A PHE 16 2 96.59 1 16 A ASN 17 2 96.95 1 17 A PHE 18 2 96.86 1 18 A ALA 19 2 98.48 1 19 A GLU 20 2 91.79 1 20 A ALA 21 2 93.56 1 21 # _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 ILE . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n GLU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -11.347 -2.971 14.040 1.00 93.19 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.486 -3.267 12.885 1.00 94.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.030 -1.976 12.206 1.00 95.03 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.844 -1.273 11.609 1.00 91.71 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.232 -4.138 11.879 1.00 89.88 1 A 1 ATOM 6 C CG . MET A 1 1 ? -10.378 -5.254 11.303 1.00 83.60 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.316 -6.384 10.277 1.00 80.14 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.157 -7.731 10.108 1.00 69.56 1 A 1 ATOM 9 N N . ARG A 1 2 ? -8.750 -1.679 12.295 1.00 94.47 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -8.195 -0.462 11.697 1.00 95.64 2 A 1 ATOM 11 C C . ARG A 1 2 ? -7.096 -0.809 10.691 1.00 96.47 2 A 1 ATOM 12 O O . ARG A 1 2 ? -5.958 -0.356 10.813 1.00 95.09 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -7.661 0.458 12.787 1.00 93.23 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -8.751 1.216 13.503 1.00 83.85 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -8.165 2.348 14.313 1.00 83.07 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -9.157 3.370 14.586 1.00 76.28 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -10.013 3.318 15.597 1.00 71.09 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -10.015 2.292 16.428 1.00 66.62 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -10.876 4.298 15.766 1.00 65.55 2 A 1 ATOM 20 N N . ILE A 1 3 ? -7.453 -1.636 9.706 1.00 95.99 3 A 1 ATOM 21 C CA . ILE A 1 3 ? -6.507 -2.053 8.675 1.00 96.26 3 A 1 ATOM 22 C C . ILE A 1 3 ? -6.559 -1.116 7.479 1.00 97.02 3 A 1 ATOM 23 O O . ILE A 1 3 ? -5.531 -0.727 6.930 1.00 96.37 3 A 1 ATOM 24 C CB . ILE A 1 3 ? -6.804 -3.492 8.217 1.00 94.93 3 A 1 ATOM 25 C CG1 . ILE A 1 3 ? -6.807 -4.457 9.409 1.00 90.63 3 A 1 ATOM 26 C CG2 . ILE A 1 3 ? -5.793 -3.931 7.168 1.00 89.29 3 A 1 ATOM 27 C CD1 . ILE A 1 3 ? -5.459 -4.628 10.050 1.00 84.41 3 A 1 ATOM 28 N N . TRP A 1 4 ? -7.775 -0.757 7.094 1.00 96.93 4 A 1 ATOM 29 C CA . TRP A 1 4 ? -7.978 0.100 5.935 1.00 97.16 4 A 1 ATOM 30 C C . TRP A 1 4 ? -7.347 1.475 6.119 1.00 97.62 4 A 1 ATOM 31 O O . TRP A 1 4 ? -6.904 2.091 5.148 1.00 96.96 4 A 1 ATOM 32 C CB . TRP A 1 4 ? -9.472 0.249 5.648 1.00 96.28 4 A 1 ATOM 33 C CG . TRP A 1 4 ? -9.755 0.795 4.292 1.00 92.33 4 A 1 ATOM 34 C CD1 . TRP A 1 4 ? -9.609 0.141 3.112 1.00 89.15 4 A 1 ATOM 35 C CD2 . TRP A 1 4 ? -10.226 2.118 3.961 1.00 91.89 4 A 1 ATOM 36 N NE1 . TRP A 1 4 ? -9.959 0.967 2.066 1.00 86.54 4 A 1 ATOM 37 C CE2 . TRP A 1 4 ? -10.341 2.182 2.563 1.00 90.36 4 A 1 ATOM 38 C CE3 . TRP A 1 4 ? -10.564 3.234 4.727 1.00 86.04 4 A 1 ATOM 39 C CZ2 . TRP A 1 4 ? -10.781 3.340 1.917 1.00 86.99 4 A 1 ATOM 40 C CZ3 . TRP A 1 4 ? -10.998 4.383 4.079 1.00 82.87 4 A 1 ATOM 41 C CH2 . TRP A 1 4 ? -11.101 4.428 2.689 1.00 82.60 4 A 1 ATOM 42 N N . SER A 1 5 ? -7.285 1.922 7.342 1.00 97.71 5 A 1 ATOM 43 C CA . SER A 1 5 ? -6.708 3.228 7.634 1.00 97.77 5 A 1 ATOM 44 C C . SER A 1 5 ? -5.227 3.279 7.283 1.00 98.19 5 A 1 ATOM 45 O O . SER A 1 5 ? -4.781 4.173 6.568 1.00 97.73 5 A 1 ATOM 46 C CB . SER A 1 5 ? -6.909 3.575 9.100 1.00 96.61 5 A 1 ATOM 47 O OG . SER A 1 5 ? -8.285 3.688 9.393 1.00 84.68 5 A 1 ATOM 48 N N . LEU A 1 6 ? -4.465 2.311 7.784 1.00 98.04 6 A 1 ATOM 49 C CA . LEU A 1 6 ? -3.035 2.260 7.511 1.00 98.29 6 A 1 ATOM 50 C C . LEU A 1 6 ? -2.738 1.654 6.144 1.00 98.59 6 A 1 ATOM 51 O O . LEU A 1 6 ? -1.651 1.855 5.599 1.00 98.43 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -2.325 1.468 8.613 1.00 98.00 6 A 1 ATOM 53 C CG . LEU A 1 6 ? -2.892 0.078 8.862 1.00 92.97 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? -2.066 -0.988 8.146 1.00 89.38 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? -2.935 -0.212 10.354 1.00 90.26 6 A 1 ATOM 56 N N . THR A 1 7 ? -3.691 0.921 5.596 1.00 98.50 7 A 1 ATOM 57 C CA . THR A 1 7 ? -3.522 0.308 4.279 1.00 98.58 7 A 1 ATOM 58 C C . THR A 1 7 ? -3.355 1.379 3.209 1.00 98.65 7 A 1 ATOM 59 O O . THR A 1 7 ? -2.565 1.219 2.278 1.00 98.36 7 A 1 ATOM 60 C CB . THR A 1 7 ? -4.718 -0.588 3.933 1.00 98.31 7 A 1 ATOM 61 O OG1 . THR A 1 7 ? -4.855 -1.610 4.914 1.00 94.65 7 A 1 ATOM 62 C CG2 . THR A 1 7 ? -4.525 -1.254 2.579 1.00 92.85 7 A 1 ATOM 63 N N . ARG A 1 8 ? -4.100 2.460 3.342 1.00 98.53 8 A 1 ATOM 64 C CA . ARG A 1 8 ? -4.009 3.565 2.390 1.00 98.51 8 A 1 ATOM 65 C C . ARG A 1 8 ? -2.607 4.159 2.380 1.00 98.59 8 A 1 ATOM 66 O O . ARG A 1 8 ? -2.047 4.435 1.325 1.00 98.37 8 A 1 ATOM 67 C CB . ARG A 1 8 ? -5.028 4.649 2.739 1.00 98.18 8 A 1 ATOM 68 C CG . ARG A 1 8 ? -6.467 4.247 2.566 1.00 93.82 8 A 1 ATOM 69 C CD . ARG A 1 8 ? -6.847 4.094 1.103 1.00 92.68 8 A 1 ATOM 70 N NE . ARG A 1 8 ? -6.606 2.732 0.628 1.00 88.78 8 A 1 ATOM 71 C CZ . ARG A 1 8 ? -6.655 2.370 -0.650 1.00 84.60 8 A 1 ATOM 72 N NH1 . ARG A 1 8 ? -6.936 3.254 -1.587 1.00 79.61 8 A 1 ATOM 73 N NH2 . ARG A 1 8 ? -6.413 1.116 -0.980 1.00 79.87 8 A 1 ATOM 74 N N . ILE A 1 9 ? -2.046 4.326 3.553 1.00 98.59 9 A 1 ATOM 75 C CA . ILE A 1 9 ? -0.707 4.887 3.691 1.00 98.55 9 A 1 ATOM 76 C C . ILE A 1 9 ? 0.342 3.880 3.237 1.00 98.68 9 A 1 ATOM 77 O O . ILE A 1 9 ? 1.324 4.245 2.589 1.00 98.57 9 A 1 ATOM 78 C CB . ILE A 1 9 ? -0.441 5.307 5.140 1.00 98.38 9 A 1 ATOM 79 C CG1 . ILE A 1 9 ? -1.529 6.264 5.627 1.00 97.44 9 A 1 ATOM 80 C CG2 . ILE A 1 9 ? 0.932 5.960 5.255 1.00 97.54 9 A 1 ATOM 81 C CD1 . ILE A 1 9 ? -1.489 6.507 7.114 1.00 94.62 9 A 1 ATOM 82 N N . LEU A 1 10 ? 0.124 2.627 3.579 1.00 98.64 10 A 1 ATOM 83 C CA . LEU A 1 10 ? 1.052 1.562 3.217 1.00 98.63 10 A 1 ATOM 84 C C . LEU A 1 10 ? 1.169 1.425 1.706 1.00 98.71 10 A 1 ATOM 85 O O . LEU A 1 10 ? 2.249 1.141 1.187 1.00 98.66 10 A 1 ATOM 86 C CB . LEU A 1 10 ? 0.590 0.239 3.831 1.00 98.52 10 A 1 ATOM 87 C CG . LEU A 1 10 ? 1.599 -0.899 3.736 1.00 94.59 10 A 1 ATOM 88 C CD1 . LEU A 1 10 ? 2.816 -0.610 4.609 1.00 91.95 10 A 1 ATOM 89 C CD2 . LEU A 1 10 ? 0.963 -2.217 4.150 1.00 93.63 10 A 1 ATOM 90 N N . THR A 1 11 ? 0.071 1.627 1.013 1.00 98.69 11 A 1 ATOM 91 C CA . THR A 1 11 ? 0.050 1.527 -0.444 1.00 98.69 11 A 1 ATOM 92 C C . THR A 1 11 ? 0.993 2.551 -1.067 1.00 98.74 11 A 1 ATOM 93 O O . THR A 1 11 ? 1.746 2.234 -1.989 1.00 98.54 11 A 1 ATOM 94 C CB . THR A 1 11 ? -1.370 1.739 -0.981 1.00 98.43 11 A 1 ATOM 95 O OG1 . THR A 1 11 ? -2.261 0.812 -0.369 1.00 95.17 11 A 1 ATOM 96 C CG2 . THR A 1 11 ? -1.414 1.533 -2.487 1.00 93.90 11 A 1 ATOM 97 N N . PHE A 1 12 ? 0.961 3.767 -0.562 1.00 98.72 12 A 1 ATOM 98 C CA . PHE A 1 12 ? 1.819 4.828 -1.073 1.00 98.71 12 A 1 ATOM 99 C C . PHE A 1 12 ? 3.283 4.558 -0.741 1.00 98.76 12 A 1 ATOM 100 O O . PHE A 1 12 ? 4.172 4.882 -1.525 1.00 98.56 12 A 1 ATOM 101 C CB . PHE A 1 12 ? 1.396 6.174 -0.496 1.00 98.54 12 A 1 ATOM 102 C CG . PHE A 1 12 ? 0.112 6.696 -1.084 1.00 97.20 12 A 1 ATOM 103 C CD1 . PHE A 1 12 ? 0.085 7.194 -2.376 1.00 95.30 12 A 1 ATOM 104 C CD2 . PHE A 1 12 ? -1.055 6.688 -0.341 1.00 95.63 12 A 1 ATOM 105 C CE1 . PHE A 1 12 ? -1.095 7.675 -2.924 1.00 94.20 12 A 1 ATOM 106 C CE2 . PHE A 1 12 ? -2.237 7.166 -0.885 1.00 94.47 12 A 1 ATOM 107 C CZ . PHE A 1 12 ? -2.257 7.659 -2.177 1.00 94.28 12 A 1 ATOM 108 N N . ILE A 1 13 ? 3.520 3.958 0.405 1.00 98.70 13 A 1 ATOM 109 C CA . ILE A 1 13 ? 4.878 3.646 0.836 1.00 98.68 13 A 1 ATOM 110 C C . ILE A 1 13 ? 5.500 2.589 -0.072 1.00 98.74 13 A 1 ATOM 111 O O . ILE A 1 13 ? 6.667 2.695 -0.451 1.00 98.58 13 A 1 ATOM 112 C CB . ILE A 1 13 ? 4.889 3.162 2.296 1.00 98.53 13 A 1 ATOM 113 C CG1 . ILE A 1 13 ? 4.373 4.261 3.226 1.00 97.68 13 A 1 ATOM 114 C CG2 . ILE A 1 13 ? 6.301 2.746 2.705 1.00 97.64 13 A 1 ATOM 115 C CD1 . ILE A 1 13 ? 4.131 3.782 4.639 1.00 94.82 13 A 1 ATOM 116 N N . VAL A 1 14 ? 4.719 1.584 -0.412 1.00 98.82 14 A 1 ATOM 117 C CA . VAL A 1 14 ? 5.197 0.507 -1.275 1.00 98.79 14 A 1 ATOM 118 C C . VAL A 1 14 ? 5.537 1.034 -2.663 1.00 98.83 14 A 1 ATOM 119 O O . VAL A 1 14 ? 6.589 0.714 -3.222 1.00 98.68 14 A 1 ATOM 120 C CB . VAL A 1 14 ? 4.151 -0.618 -1.384 1.00 98.60 14 A 1 ATOM 121 C CG1 . VAL A 1 14 ? 4.618 -1.698 -2.348 1.00 97.60 14 A 1 ATOM 122 C CG2 . VAL A 1 14 ? 3.879 -1.227 -0.022 1.00 97.72 14 A 1 ATOM 123 N N . ILE A 1 15 ? 4.649 1.829 -3.213 1.00 98.84 15 A 1 ATOM 124 C CA . ILE A 1 15 ? 4.854 2.399 -4.543 1.00 98.79 15 A 1 ATOM 125 C C . ILE A 1 15 ? 6.035 3.363 -4.541 1.00 98.81 15 A 1 ATOM 126 O O . ILE A 1 15 ? 6.869 3.347 -5.450 1.00 98.66 15 A 1 ATOM 127 C CB . ILE A 1 15 ? 3.585 3.119 -5.033 1.00 98.62 15 A 1 ATOM 128 C CG1 . ILE A 1 15 ? 2.406 2.146 -5.105 1.00 97.48 15 A 1 ATOM 129 C CG2 . ILE A 1 15 ? 3.835 3.744 -6.405 1.00 97.51 15 A 1 ATOM 130 C CD1 . ILE A 1 15 ? 1.069 2.827 -5.303 1.00 95.00 15 A 1 ATOM 131 N N . PHE A 1 16 ? 6.099 4.194 -3.525 1.00 98.82 16 A 1 ATOM 132 C CA . PHE A 1 16 ? 7.169 5.174 -3.410 1.00 98.77 16 A 1 ATOM 133 C C . PHE A 1 16 ? 8.511 4.488 -3.186 1.00 98.80 16 A 1 ATOM 134 O O . PHE A 1 16 ? 9.530 4.916 -3.724 1.00 98.61 16 A 1 ATOM 135 C CB . PHE A 1 16 ? 6.870 6.144 -2.268 1.00 98.58 16 A 1 ATOM 136 C CG . PHE A 1 16 ? 7.446 7.514 -2.493 1.00 97.31 16 A 1 ATOM 137 C CD1 . PHE A 1 16 ? 6.789 8.425 -3.302 1.00 94.77 16 A 1 ATOM 138 C CD2 . PHE A 1 16 ? 8.643 7.878 -1.900 1.00 95.08 16 A 1 ATOM 139 C CE1 . PHE A 1 16 ? 7.321 9.686 -3.519 1.00 93.68 16 A 1 ATOM 140 C CE2 . PHE A 1 16 ? 9.183 9.139 -2.116 1.00 94.31 16 A 1 ATOM 141 C CZ . PHE A 1 16 ? 8.519 10.044 -2.927 1.00 93.73 16 A 1 ATOM 142 N N . ASN A 1 17 ? 8.502 3.419 -2.414 1.00 98.77 17 A 1 ATOM 143 C CA . ASN A 1 17 ? 9.720 2.669 -2.129 1.00 98.77 17 A 1 ATOM 144 C C . ASN A 1 17 ? 10.233 1.969 -3.380 1.00 98.81 17 A 1 ATOM 145 O O . ASN A 1 17 ? 11.440 1.888 -3.610 1.00 98.61 17 A 1 ATOM 146 C CB . ASN A 1 17 ? 9.458 1.645 -1.028 1.00 98.63 17 A 1 ATOM 147 C CG . ASN A 1 17 ? 10.737 1.157 -0.396 1.00 97.12 17 A 1 ATOM 148 O OD1 . ASN A 1 17 ? 11.823 1.619 -0.717 1.00 92.33 17 A 1 ATOM 149 N ND2 . ASN A 1 17 ? 10.624 0.218 0.525 1.00 92.59 17 A 1 ATOM 150 N N . PHE A 1 18 ? 9.322 1.464 -4.180 1.00 98.84 18 A 1 ATOM 151 C CA . PHE A 1 18 ? 9.674 0.774 -5.414 1.00 98.80 18 A 1 ATOM 152 C C . PHE A 1 18 ? 10.235 1.748 -6.442 1.00 98.80 18 A 1 ATOM 153 O O . PHE A 1 18 ? 11.155 1.410 -7.191 1.00 98.47 18 A 1 ATOM 154 C CB . PHE A 1 18 ? 8.449 0.056 -5.979 1.00 98.62 18 A 1 ATOM 155 C CG . PHE A 1 18 ? 8.798 -0.982 -7.012 1.00 97.30 18 A 1 ATOM 156 C CD1 . PHE A 1 18 ? 9.312 -2.208 -6.630 1.00 95.34 18 A 1 ATOM 157 C CD2 . PHE A 1 18 ? 8.614 -0.722 -8.355 1.00 95.71 18 A 1 ATOM 158 C CE1 . PHE A 1 18 ? 9.643 -3.165 -7.569 1.00 94.56 18 A 1 ATOM 159 C CE2 . PHE A 1 18 ? 8.947 -1.675 -9.310 1.00 94.76 18 A 1 ATOM 160 C CZ . PHE A 1 18 ? 9.461 -2.896 -8.912 1.00 94.31 18 A 1 ATOM 161 N N . ALA A 1 19 ? 9.675 2.938 -6.485 1.00 98.71 19 A 1 ATOM 162 C CA . ALA A 1 19 ? 10.127 3.955 -7.428 1.00 98.62 19 A 1 ATOM 163 C C . ALA A 1 19 ? 11.417 4.619 -6.960 1.00 98.63 19 A 1 ATOM 164 O O . ALA A 1 19 ? 12.279 4.961 -7.769 1.00 98.15 19 A 1 ATOM 165 C CB . ALA A 1 19 ? 9.040 5.003 -7.631 1.00 98.28 19 A 1 ATOM 166 N N . GLU A 1 20 ? 11.535 4.796 -5.650 1.00 98.39 20 A 1 ATOM 167 C CA . GLU A 1 20 ? 12.710 5.437 -5.069 1.00 97.97 20 A 1 ATOM 168 C C . GLU A 1 20 ? 13.905 4.491 -5.049 1.00 97.48 20 A 1 ATOM 169 O O . GLU A 1 20 ? 15.015 4.860 -5.437 1.00 94.96 20 A 1 ATOM 170 C CB . GLU A 1 20 ? 12.395 5.932 -3.657 1.00 96.97 20 A 1 ATOM 171 C CG . GLU A 1 20 ? 13.216 7.142 -3.258 1.00 90.80 20 A 1 ATOM 172 C CD . GLU A 1 20 ? 12.755 8.399 -3.972 1.00 87.12 20 A 1 ATOM 173 O OE1 . GLU A 1 20 ? 11.592 8.788 -3.794 1.00 81.09 20 A 1 ATOM 174 O OE2 . GLU A 1 20 ? 13.570 8.983 -4.711 1.00 81.33 20 A 1 ATOM 175 N N . ALA A 1 21 ? 13.656 3.269 -4.600 1.00 97.33 21 A 1 ATOM 176 C CA . ALA A 1 21 ? 14.703 2.264 -4.497 1.00 96.53 21 A 1 ATOM 177 C C . ALA A 1 21 ? 14.460 1.118 -5.476 1.00 94.69 21 A 1 ATOM 178 O O . ALA A 1 21 ? 13.366 0.535 -5.461 1.00 90.45 21 A 1 ATOM 179 C CB . ALA A 1 21 ? 14.796 1.738 -3.073 1.00 94.99 21 A 1 ATOM 180 O OXT . ALA A 1 21 ? 15.355 0.789 -6.259 1.00 87.37 21 A 1 #