# 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_spkb16052 # _entry.id spkb16052 # 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" "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 SER 2 1 n ARG 3 1 n PHE 4 1 n ALA 5 1 n ARG 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n ILE 10 1 n VAL 11 1 n ALA 12 1 n LEU 13 1 n PHE 14 1 n PHE 15 1 n THR 16 1 n SER 17 1 n ALA 18 1 n TRP 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 @ 2025-07-07 01:23:38)" _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 93.26 _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 80.76 1 1 A SER 2 2 90.82 1 2 A ARG 3 2 87.96 1 3 A PHE 4 2 93.85 1 4 A ALA 5 2 97.60 1 5 A ARG 6 2 88.50 1 6 A LEU 7 2 95.31 1 7 A LEU 8 2 95.83 1 8 A LEU 9 2 95.29 1 9 A ILE 10 2 96.57 1 10 A VAL 11 2 97.78 1 11 A ALA 12 2 98.29 1 12 A LEU 13 2 96.73 1 13 A PHE 14 2 95.08 1 14 A PHE 15 2 95.38 1 15 A THR 16 2 96.06 1 16 A SER 17 2 96.12 1 17 A ALA 18 2 97.41 1 18 A TRP 19 2 91.01 1 19 A ALA 20 2 87.14 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 SER . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ILE . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n TRP . 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 ? -9.712 10.226 -6.311 1.00 86.15 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.092 9.148 -5.521 1.00 88.32 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.721 9.634 -4.128 1.00 90.47 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.071 10.668 -3.988 1.00 87.37 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.847 8.628 -6.225 1.00 81.53 1 A 1 ATOM 6 C CG . MET A 1 1 ? -7.715 7.125 -6.148 1.00 74.62 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.757 6.437 -7.506 1.00 73.96 1 A 1 ATOM 8 C CE . MET A 1 1 ? -5.105 6.687 -6.885 1.00 63.65 1 A 1 ATOM 9 N N . SER A 1 2 ? -9.124 8.922 -3.116 1.00 91.10 2 A 1 ATOM 10 C CA . SER A 1 2 ? -8.843 9.299 -1.736 1.00 94.47 2 A 1 ATOM 11 C C . SER A 1 2 ? -7.450 8.837 -1.310 1.00 95.90 2 A 1 ATOM 12 O O . SER A 1 2 ? -6.855 7.964 -1.943 1.00 93.85 2 A 1 ATOM 13 C CB . SER A 1 2 ? -9.894 8.694 -0.822 1.00 90.39 2 A 1 ATOM 14 O OG . SER A 1 2 ? -9.922 7.298 -0.967 1.00 79.19 2 A 1 ATOM 15 N N . ARG A 1 3 ? -6.948 9.440 -0.228 1.00 95.92 3 A 1 ATOM 16 C CA . ARG A 1 3 ? -5.626 9.072 0.286 1.00 96.77 3 A 1 ATOM 17 C C . ARG A 1 3 ? -5.636 7.644 0.820 1.00 97.74 3 A 1 ATOM 18 O O . ARG A 1 3 ? -4.613 6.961 0.809 1.00 97.13 3 A 1 ATOM 19 C CB . ARG A 1 3 ? -5.228 10.039 1.396 1.00 95.38 3 A 1 ATOM 20 C CG . ARG A 1 3 ? -4.969 11.433 0.875 1.00 89.80 3 A 1 ATOM 21 C CD . ARG A 1 3 ? -4.645 12.368 2.015 1.00 87.55 3 A 1 ATOM 22 N NE . ARG A 1 3 ? -5.788 12.501 2.919 1.00 81.91 3 A 1 ATOM 23 C CZ . ARG A 1 3 ? -5.888 13.450 3.833 1.00 80.18 3 A 1 ATOM 24 N NH1 . ARG A 1 3 ? -4.942 14.363 3.965 1.00 72.29 3 A 1 ATOM 25 N NH2 . ARG A 1 3 ? -6.943 13.480 4.625 1.00 72.93 3 A 1 ATOM 26 N N . PHE A 1 4 ? -6.796 7.210 1.290 1.00 97.07 4 A 1 ATOM 27 C CA . PHE A 1 4 ? -6.955 5.856 1.812 1.00 97.40 4 A 1 ATOM 28 C C . PHE A 1 4 ? -6.612 4.825 0.743 1.00 97.86 4 A 1 ATOM 29 O O . PHE A 1 4 ? -5.923 3.840 1.012 1.00 97.54 4 A 1 ATOM 30 C CB . PHE A 1 4 ? -8.395 5.661 2.287 1.00 96.80 4 A 1 ATOM 31 C CG . PHE A 1 4 ? -8.678 4.239 2.681 1.00 94.36 4 A 1 ATOM 32 C CD1 . PHE A 1 4 ? -8.178 3.721 3.862 1.00 91.59 4 A 1 ATOM 33 C CD2 . PHE A 1 4 ? -9.442 3.421 1.866 1.00 91.34 4 A 1 ATOM 34 C CE1 . PHE A 1 4 ? -8.432 2.411 4.230 1.00 89.93 4 A 1 ATOM 35 C CE2 . PHE A 1 4 ? -9.701 2.105 2.223 1.00 89.51 4 A 1 ATOM 36 C CZ . PHE A 1 4 ? -9.195 1.601 3.407 1.00 88.96 4 A 1 ATOM 37 N N . ALA A 1 5 ? -7.109 5.046 -0.461 1.00 97.52 5 A 1 ATOM 38 C CA . ALA A 1 5 ? -6.847 4.136 -1.573 1.00 97.69 5 A 1 ATOM 39 C C . ALA A 1 5 ? -5.361 4.104 -1.906 1.00 97.96 5 A 1 ATOM 40 O O . ALA A 1 5 ? -4.802 3.049 -2.200 1.00 97.61 5 A 1 ATOM 41 C CB . ALA A 1 5 ? -7.653 4.566 -2.792 1.00 97.23 5 A 1 ATOM 42 N N . ARG A 1 6 ? -4.735 5.270 -1.853 1.00 97.28 6 A 1 ATOM 43 C CA . ARG A 1 6 ? -3.302 5.395 -2.131 1.00 97.65 6 A 1 ATOM 44 C C . ARG A 1 6 ? -2.493 4.648 -1.086 1.00 98.04 6 A 1 ATOM 45 O O . ARG A 1 6 ? -1.538 3.946 -1.415 1.00 97.68 6 A 1 ATOM 46 C CB . ARG A 1 6 ? -2.927 6.876 -2.148 1.00 97.19 6 A 1 ATOM 47 C CG . ARG A 1 6 ? -1.442 7.118 -2.320 1.00 89.88 6 A 1 ATOM 48 C CD . ARG A 1 6 ? -1.042 6.995 -3.780 1.00 88.04 6 A 1 ATOM 49 N NE . ARG A 1 6 ? 0.408 7.036 -3.917 1.00 83.21 6 A 1 ATOM 50 C CZ . ARG A 1 6 ? 1.043 6.987 -5.071 1.00 79.61 6 A 1 ATOM 51 N NH1 . ARG A 1 6 ? 0.368 6.918 -6.206 1.00 73.17 6 A 1 ATOM 52 N NH2 . ARG A 1 6 ? 2.365 7.001 -5.095 1.00 71.74 6 A 1 ATOM 53 N N . LEU A 1 7 ? -2.871 4.814 0.172 1.00 97.56 7 A 1 ATOM 54 C CA . LEU A 1 7 ? -2.194 4.152 1.281 1.00 97.76 7 A 1 ATOM 55 C C . LEU A 1 7 ? -2.323 2.640 1.168 1.00 98.11 7 A 1 ATOM 56 O O . LEU A 1 7 ? -1.350 1.910 1.368 1.00 98.04 7 A 1 ATOM 57 C CB . LEU A 1 7 ? -2.793 4.630 2.599 1.00 97.70 7 A 1 ATOM 58 C CG . LEU A 1 7 ? -1.982 4.226 3.816 1.00 92.64 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? -0.730 5.093 3.929 1.00 89.63 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? -2.816 4.344 5.069 1.00 91.01 7 A 1 ATOM 61 N N . LEU A 1 8 ? -3.518 2.182 0.857 1.00 98.02 8 A 1 ATOM 62 C CA . LEU A 1 8 ? -3.786 0.755 0.703 1.00 98.09 8 A 1 ATOM 63 C C . LEU A 1 8 ? -2.945 0.171 -0.424 1.00 98.21 8 A 1 ATOM 64 O O . LEU A 1 8 ? -2.429 -0.943 -0.313 1.00 98.20 8 A 1 ATOM 65 C CB . LEU A 1 8 ? -5.273 0.534 0.414 1.00 98.03 8 A 1 ATOM 66 C CG . LEU A 1 8 ? -5.773 -0.835 0.845 1.00 93.64 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? -6.585 -0.723 2.125 1.00 90.85 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? -6.611 -1.469 -0.249 1.00 91.61 8 A 1 ATOM 69 N N . LEU A 1 9 ? -2.817 0.920 -1.496 1.00 97.93 9 A 1 ATOM 70 C CA . LEU A 1 9 ? -2.033 0.494 -2.654 1.00 97.89 9 A 1 ATOM 71 C C . LEU A 1 9 ? -0.575 0.283 -2.267 1.00 98.07 9 A 1 ATOM 72 O O . LEU A 1 9 ? 0.037 -0.722 -2.639 1.00 97.99 9 A 1 ATOM 73 C CB . LEU A 1 9 ? -2.134 1.547 -3.757 1.00 97.75 9 A 1 ATOM 74 C CG . LEU A 1 9 ? -1.561 1.093 -5.096 1.00 92.28 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? -2.601 0.319 -5.893 1.00 89.77 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? -1.078 2.284 -5.898 1.00 90.63 9 A 1 ATOM 77 N N . ILE A 1 10 ? -0.026 1.223 -1.521 1.00 98.08 10 A 1 ATOM 78 C CA . ILE A 1 10 ? 1.366 1.150 -1.084 1.00 97.96 10 A 1 ATOM 79 C C . ILE A 1 10 ? 1.571 -0.033 -0.148 1.00 98.04 10 A 1 ATOM 80 O O . ILE A 1 10 ? 2.547 -0.778 -0.278 1.00 97.81 10 A 1 ATOM 81 C CB . ILE A 1 10 ? 1.782 2.464 -0.394 1.00 97.84 10 A 1 ATOM 82 C CG1 . ILE A 1 10 ? 1.798 3.607 -1.409 1.00 96.36 10 A 1 ATOM 83 C CG2 . ILE A 1 10 ? 3.167 2.318 0.233 1.00 96.07 10 A 1 ATOM 84 C CD1 . ILE A 1 10 ? 1.735 4.967 -0.762 1.00 90.40 10 A 1 ATOM 85 N N . VAL A 1 11 ? 0.659 -0.199 0.789 1.00 98.35 11 A 1 ATOM 86 C CA . VAL A 1 11 ? 0.741 -1.298 1.749 1.00 98.26 11 A 1 ATOM 87 C C . VAL A 1 11 ? 0.678 -2.636 1.023 1.00 98.30 11 A 1 ATOM 88 O O . VAL A 1 11 ? 1.441 -3.558 1.328 1.00 98.11 11 A 1 ATOM 89 C CB . VAL A 1 11 ? -0.390 -1.206 2.786 1.00 97.95 11 A 1 ATOM 90 C CG1 . VAL A 1 11 ? -0.383 -2.420 3.697 1.00 96.77 11 A 1 ATOM 91 C CG2 . VAL A 1 11 ? -0.255 0.061 3.605 1.00 96.69 11 A 1 ATOM 92 N N . ALA A 1 12 ? -0.240 -2.739 0.075 1.00 98.38 12 A 1 ATOM 93 C CA . ALA A 1 12 ? -0.401 -3.962 -0.698 1.00 98.37 12 A 1 ATOM 94 C C . ALA A 1 12 ? 0.863 -4.267 -1.494 1.00 98.40 12 A 1 ATOM 95 O O . ALA A 1 12 ? 1.280 -5.421 -1.593 1.00 98.05 12 A 1 ATOM 96 C CB . ALA A 1 12 ? -1.592 -3.825 -1.640 1.00 98.23 12 A 1 ATOM 97 N N . LEU A 1 13 ? 1.473 -3.232 -2.045 1.00 98.42 13 A 1 ATOM 98 C CA . LEU A 1 13 ? 2.701 -3.375 -2.817 1.00 98.31 13 A 1 ATOM 99 C C . LEU A 1 13 ? 3.831 -3.889 -1.935 1.00 98.30 13 A 1 ATOM 100 O O . LEU A 1 13 ? 4.574 -4.785 -2.327 1.00 97.96 13 A 1 ATOM 101 C CB . LEU A 1 13 ? 3.093 -2.027 -3.423 1.00 98.14 13 A 1 ATOM 102 C CG . LEU A 1 13 ? 3.511 -2.118 -4.887 1.00 96.12 13 A 1 ATOM 103 C CD1 . LEU A 1 13 ? 2.286 -2.070 -5.791 1.00 93.26 13 A 1 ATOM 104 C CD2 . LEU A 1 13 ? 4.459 -0.988 -5.232 1.00 93.35 13 A 1 ATOM 105 N N . PHE A 1 14 ? 3.953 -3.308 -0.748 1.00 98.22 14 A 1 ATOM 106 C CA . PHE A 1 14 ? 4.985 -3.705 0.203 1.00 98.12 14 A 1 ATOM 107 C C . PHE A 1 14 ? 4.793 -5.150 0.631 1.00 98.14 14 A 1 ATOM 108 O O . PHE A 1 14 ? 5.754 -5.914 0.716 1.00 97.80 14 A 1 ATOM 109 C CB . PHE A 1 14 ? 4.942 -2.790 1.420 1.00 97.83 14 A 1 ATOM 110 C CG . PHE A 1 14 ? 5.922 -1.649 1.327 1.00 95.60 14 A 1 ATOM 111 C CD1 . PHE A 1 14 ? 5.712 -0.609 0.440 1.00 93.19 14 A 1 ATOM 112 C CD2 . PHE A 1 14 ? 7.049 -1.633 2.131 1.00 93.14 14 A 1 ATOM 113 C CE1 . PHE A 1 14 ? 6.617 0.433 0.351 1.00 91.20 14 A 1 ATOM 114 C CE2 . PHE A 1 14 ? 7.954 -0.589 2.050 1.00 91.20 14 A 1 ATOM 115 C CZ . PHE A 1 14 ? 7.739 0.447 1.156 1.00 91.45 14 A 1 ATOM 116 N N . PHE A 1 15 ? 3.553 -5.516 0.905 1.00 98.24 15 A 1 ATOM 117 C CA . PHE A 1 15 ? 3.233 -6.875 1.328 1.00 98.09 15 A 1 ATOM 118 C C . PHE A 1 15 ? 3.550 -7.873 0.226 1.00 98.15 15 A 1 ATOM 119 O O . PHE A 1 15 ? 4.117 -8.935 0.482 1.00 97.65 15 A 1 ATOM 120 C CB . PHE A 1 15 ? 1.760 -6.960 1.706 1.00 97.65 15 A 1 ATOM 121 C CG . PHE A 1 15 ? 1.541 -6.949 3.193 1.00 95.83 15 A 1 ATOM 122 C CD1 . PHE A 1 15 ? 1.849 -5.833 3.947 1.00 93.48 15 A 1 ATOM 123 C CD2 . PHE A 1 15 ? 1.027 -8.068 3.830 1.00 93.71 15 A 1 ATOM 124 C CE1 . PHE A 1 15 ? 1.654 -5.828 5.316 1.00 92.20 15 A 1 ATOM 125 C CE2 . PHE A 1 15 ? 0.825 -8.068 5.199 1.00 92.03 15 A 1 ATOM 126 C CZ . PHE A 1 15 ? 1.140 -6.946 5.944 1.00 92.11 15 A 1 ATOM 127 N N . THR A 1 16 ? 3.181 -7.535 -0.988 1.00 98.26 16 A 1 ATOM 128 C CA . THR A 1 16 ? 3.426 -8.407 -2.132 1.00 98.02 16 A 1 ATOM 129 C C . THR A 1 16 ? 4.919 -8.563 -2.387 1.00 98.05 16 A 1 ATOM 130 O O . THR A 1 16 ? 5.391 -9.652 -2.721 1.00 97.08 16 A 1 ATOM 131 C CB . THR A 1 16 ? 2.748 -7.850 -3.385 1.00 97.29 16 A 1 ATOM 132 O OG1 . THR A 1 16 ? 1.429 -7.423 -3.074 1.00 92.35 16 A 1 ATOM 133 C CG2 . THR A 1 16 ? 2.680 -8.906 -4.471 1.00 91.35 16 A 1 ATOM 134 N N . SER A 1 17 ? 5.662 -7.471 -2.235 1.00 98.15 17 A 1 ATOM 135 C CA . SER A 1 17 ? 7.102 -7.482 -2.452 1.00 97.97 17 A 1 ATOM 136 C C . SER A 1 17 ? 7.824 -8.255 -1.357 1.00 98.01 17 A 1 ATOM 137 O O . SER A 1 17 ? 8.757 -9.007 -1.635 1.00 96.97 17 A 1 ATOM 138 C CB . SER A 1 17 ? 7.640 -6.054 -2.505 1.00 97.24 17 A 1 ATOM 139 O OG . SER A 1 17 ? 7.058 -5.341 -3.568 1.00 88.35 17 A 1 ATOM 140 N N . ALA A 1 18 ? 7.400 -8.054 -0.112 1.00 97.88 18 A 1 ATOM 141 C CA . ALA A 1 18 ? 8.012 -8.720 1.033 1.00 97.72 18 A 1 ATOM 142 C C . ALA A 1 18 ? 7.681 -10.207 1.060 1.00 97.81 18 A 1 ATOM 143 O O . ALA A 1 18 ? 8.553 -11.042 1.305 1.00 96.73 18 A 1 ATOM 144 C CB . ALA A 1 18 ? 7.561 -8.053 2.328 1.00 96.92 18 A 1 ATOM 145 N N . TRP A 1 19 ? 6.418 -10.527 0.828 1.00 96.78 19 A 1 ATOM 146 C CA . TRP A 1 19 ? 5.973 -11.919 0.841 1.00 96.02 19 A 1 ATOM 147 C C . TRP A 1 19 ? 6.366 -12.634 -0.443 1.00 95.86 19 A 1 ATOM 148 O O . TRP A 1 19 ? 6.696 -13.817 -0.420 1.00 93.68 19 A 1 ATOM 149 C CB . TRP A 1 19 ? 4.462 -11.975 1.046 1.00 94.27 19 A 1 ATOM 150 C CG . TRP A 1 19 ? 4.090 -12.086 2.491 1.00 91.33 19 A 1 ATOM 151 C CD1 . TRP A 1 19 ? 4.464 -11.256 3.497 1.00 89.21 19 A 1 ATOM 152 C CD2 . TRP A 1 19 ? 3.275 -13.108 3.099 1.00 91.43 19 A 1 ATOM 153 N NE1 . TRP A 1 19 ? 3.942 -11.685 4.688 1.00 88.20 19 A 1 ATOM 154 C CE2 . TRP A 1 19 ? 3.202 -12.824 4.476 1.00 90.22 19 A 1 ATOM 155 C CE3 . TRP A 1 19 ? 2.615 -14.234 2.607 1.00 87.90 19 A 1 ATOM 156 C CZ2 . TRP A 1 19 ? 2.485 -13.624 5.358 1.00 88.14 19 A 1 ATOM 157 C CZ3 . TRP A 1 19 ? 1.902 -15.029 3.486 1.00 85.35 19 A 1 ATOM 158 C CH2 . TRP A 1 19 ? 1.842 -14.725 4.845 1.00 85.81 19 A 1 ATOM 159 N N . ALA A 1 20 ? 6.343 -11.905 -1.556 1.00 93.89 20 A 1 ATOM 160 C CA . ALA A 1 20 ? 6.717 -12.430 -2.876 1.00 91.90 20 A 1 ATOM 161 C C . ALA A 1 20 ? 5.766 -13.541 -3.318 1.00 88.82 20 A 1 ATOM 162 O O . ALA A 1 20 ? 5.323 -13.515 -4.478 1.00 82.82 20 A 1 ATOM 163 C CB . ALA A 1 20 ? 8.158 -12.942 -2.859 1.00 87.14 20 A 1 ATOM 164 O OXT . ALA A 1 20 ? 5.473 -14.406 -2.529 1.00 78.30 20 A 1 #