# 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_spkb41293 # _entry.id spkb41293 # 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" "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)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 THR 2 1 n VAL 3 1 n TRP 4 1 n LEU 5 1 n LEU 6 1 n ILE 7 1 n GLY 8 1 n PHE 9 1 n LEU 10 1 n LEU 11 1 n PRO 12 1 n VAL 13 1 n ALA 14 1 n ILE 15 1 n PHE 16 1 n ALA 17 # _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 13:04:40)" _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 94.32 _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 83.43 1 1 A THR 2 2 92.50 1 2 A VAL 3 2 95.07 1 3 A TRP 4 2 94.72 1 4 A LEU 5 2 95.85 1 5 A LEU 6 2 95.05 1 6 A ILE 7 2 95.64 1 7 A GLY 8 2 97.64 1 8 A PHE 9 2 94.50 1 9 A LEU 10 2 95.79 1 10 A LEU 11 2 95.06 1 11 A PRO 12 2 97.18 1 12 A VAL 13 2 96.31 1 13 A ALA 14 2 97.67 1 14 A ILE 15 2 95.30 1 15 A PHE 16 2 93.30 1 16 A ALA 17 2 91.11 1 17 # _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 THR . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n PRO . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n ALA . 17 A 17 # _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 ? 5.512 -10.615 -3.554 1.00 89.91 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.451 -9.634 -2.458 1.00 90.25 1 A 1 ATOM 3 C C . MET A 1 1 ? 5.275 -8.208 -2.979 1.00 90.87 1 A 1 ATOM 4 O O . MET A 1 1 ? 4.869 -7.320 -2.239 1.00 88.66 1 A 1 ATOM 5 C CB . MET A 1 1 ? 6.730 -9.697 -1.614 1.00 84.91 1 A 1 ATOM 6 C CG . MET A 1 1 ? 6.734 -10.888 -0.677 1.00 78.94 1 A 1 ATOM 7 S SD . MET A 1 1 ? 8.051 -10.797 0.535 1.00 76.04 1 A 1 ATOM 8 C CE . MET A 1 1 ? 7.406 -11.930 1.760 1.00 67.84 1 A 1 ATOM 9 N N . THR A 1 2 ? 5.579 -8.006 -4.224 1.00 94.22 2 A 1 ATOM 10 C CA . THR A 1 2 ? 5.447 -6.684 -4.838 1.00 95.35 2 A 1 ATOM 11 C C . THR A 1 2 ? 3.994 -6.226 -4.880 1.00 96.17 2 A 1 ATOM 12 O O . THR A 1 2 ? 3.712 -5.031 -4.810 1.00 94.75 2 A 1 ATOM 13 C CB . THR A 1 2 ? 6.014 -6.688 -6.263 1.00 93.48 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? 5.390 -7.717 -7.020 1.00 87.46 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? 7.512 -6.912 -6.242 1.00 86.05 2 A 1 ATOM 16 N N . VAL A 1 3 ? 3.073 -7.165 -4.972 1.00 96.22 3 A 1 ATOM 17 C CA . VAL A 1 3 ? 1.643 -6.853 -5.023 1.00 96.67 3 A 1 ATOM 18 C C . VAL A 1 3 ? 1.174 -6.218 -3.718 1.00 97.21 3 A 1 ATOM 19 O O . VAL A 1 3 ? 0.311 -5.342 -3.712 1.00 96.80 3 A 1 ATOM 20 C CB . VAL A 1 3 ? 0.808 -8.114 -5.306 1.00 95.72 3 A 1 ATOM 21 C CG1 . VAL A 1 3 ? -0.671 -7.771 -5.381 1.00 91.57 3 A 1 ATOM 22 C CG2 . VAL A 1 3 ? 1.262 -8.771 -6.596 1.00 91.27 3 A 1 ATOM 23 N N . TRP A 1 4 ? 1.748 -6.662 -2.602 1.00 96.59 4 A 1 ATOM 24 C CA . TRP A 1 4 ? 1.375 -6.138 -1.290 1.00 96.76 4 A 1 ATOM 25 C C . TRP A 1 4 ? 1.763 -4.671 -1.154 1.00 97.12 4 A 1 ATOM 26 O O . TRP A 1 4 ? 1.140 -3.925 -0.401 1.00 96.66 4 A 1 ATOM 27 C CB . TRP A 1 4 ? 2.050 -6.956 -0.183 1.00 96.32 4 A 1 ATOM 28 C CG . TRP A 1 4 ? 1.889 -8.432 -0.372 1.00 95.55 4 A 1 ATOM 29 C CD1 . TRP A 1 4 ? 2.866 -9.371 -0.290 1.00 93.52 4 A 1 ATOM 30 C CD2 . TRP A 1 4 ? 0.679 -9.143 -0.674 1.00 94.85 4 A 1 ATOM 31 N NE1 . TRP A 1 4 ? 2.342 -10.617 -0.518 1.00 93.02 4 A 1 ATOM 32 C CE2 . TRP A 1 4 ? 0.995 -10.514 -0.763 1.00 94.09 4 A 1 ATOM 33 C CE3 . TRP A 1 4 ? -0.654 -8.753 -0.882 1.00 93.53 4 A 1 ATOM 34 C CZ2 . TRP A 1 4 ? 0.037 -11.485 -1.048 1.00 93.68 4 A 1 ATOM 35 C CZ3 . TRP A 1 4 ? -1.606 -9.720 -1.166 1.00 92.06 4 A 1 ATOM 36 C CH2 . TRP A 1 4 ? -1.261 -11.074 -1.248 1.00 92.26 4 A 1 ATOM 37 N N . LEU A 1 5 ? 2.774 -4.241 -1.872 1.00 97.60 5 A 1 ATOM 38 C CA . LEU A 1 5 ? 3.235 -2.857 -1.830 1.00 97.53 5 A 1 ATOM 39 C C . LEU A 1 5 ? 2.199 -1.923 -2.441 1.00 97.83 5 A 1 ATOM 40 O O . LEU A 1 5 ? 1.984 -0.816 -1.951 1.00 97.51 5 A 1 ATOM 41 C CB . LEU A 1 5 ? 4.561 -2.727 -2.581 1.00 97.25 5 A 1 ATOM 42 C CG . LEU A 1 5 ? 5.748 -3.388 -1.882 1.00 94.59 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? 6.944 -3.456 -2.823 1.00 92.26 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? 6.116 -2.626 -0.622 1.00 92.21 5 A 1 ATOM 45 N N . LEU A 1 6 ? 1.556 -2.352 -3.504 1.00 97.27 6 A 1 ATOM 46 C CA . LEU A 1 6 ? 0.538 -1.553 -4.180 1.00 97.13 6 A 1 ATOM 47 C C . LEU A 1 6 ? -0.701 -1.396 -3.307 1.00 97.50 6 A 1 ATOM 48 O O . LEU A 1 6 ? -1.294 -0.321 -3.244 1.00 97.44 6 A 1 ATOM 49 C CB . LEU A 1 6 ? 0.152 -2.197 -5.511 1.00 96.85 6 A 1 ATOM 50 C CG . LEU A 1 6 ? 1.149 -1.954 -6.642 1.00 92.99 6 A 1 ATOM 51 C CD1 . LEU A 1 6 ? 2.362 -2.863 -6.505 1.00 90.84 6 A 1 ATOM 52 C CD2 . LEU A 1 6 ? 0.480 -2.173 -7.989 1.00 90.36 6 A 1 ATOM 53 N N . ILE A 1 7 ? -1.079 -2.465 -2.629 1.00 97.14 7 A 1 ATOM 54 C CA . ILE A 1 7 ? -2.260 -2.449 -1.771 1.00 96.99 7 A 1 ATOM 55 C C . ILE A 1 7 ? -1.961 -1.773 -0.437 1.00 97.26 7 A 1 ATOM 56 O O . ILE A 1 7 ? -2.798 -1.043 0.104 1.00 96.98 7 A 1 ATOM 57 C CB . ILE A 1 7 ? -2.766 -3.881 -1.522 1.00 96.61 7 A 1 ATOM 58 C CG1 . ILE A 1 7 ? -3.052 -4.588 -2.849 1.00 94.87 7 A 1 ATOM 59 C CG2 . ILE A 1 7 ? -4.032 -3.848 -0.665 1.00 94.36 7 A 1 ATOM 60 C CD1 . ILE A 1 7 ? -3.259 -6.078 -2.698 1.00 90.88 7 A 1 ATOM 61 N N . GLY A 1 8 ? -0.777 -2.016 0.097 1.00 97.64 8 A 1 ATOM 62 C CA . GLY A 1 8 ? -0.387 -1.460 1.387 1.00 97.62 8 A 1 ATOM 63 C C . GLY A 1 8 ? 0.024 -0.001 1.329 1.00 97.89 8 A 1 ATOM 64 O O . GLY A 1 8 ? 0.010 0.690 2.345 1.00 97.42 8 A 1 ATOM 65 N N . PHE A 1 9 ? 0.410 0.477 0.153 1.00 97.28 9 A 1 ATOM 66 C CA . PHE A 1 9 ? 0.835 1.867 -0.016 1.00 97.07 9 A 1 ATOM 67 C C . PHE A 1 9 ? -0.241 2.728 -0.668 1.00 97.69 9 A 1 ATOM 68 O O . PHE A 1 9 ? -0.457 3.869 -0.255 1.00 97.25 9 A 1 ATOM 69 C CB . PHE A 1 9 ? 2.112 1.927 -0.856 1.00 96.49 9 A 1 ATOM 70 C CG . PHE A 1 9 ? 3.363 1.891 -0.016 1.00 94.76 9 A 1 ATOM 71 C CD1 . PHE A 1 9 ? 3.834 3.050 0.575 1.00 92.38 9 A 1 ATOM 72 C CD2 . PHE A 1 9 ? 4.050 0.710 0.172 1.00 92.47 9 A 1 ATOM 73 C CE1 . PHE A 1 9 ? 4.982 3.034 1.350 1.00 91.50 9 A 1 ATOM 74 C CE2 . PHE A 1 9 ? 5.200 0.683 0.953 1.00 90.86 9 A 1 ATOM 75 C CZ . PHE A 1 9 ? 5.666 1.846 1.540 1.00 91.76 9 A 1 ATOM 76 N N . LEU A 1 10 ? -0.920 2.196 -1.665 1.00 97.05 10 A 1 ATOM 77 C CA . LEU A 1 10 ? -1.952 2.948 -2.375 1.00 97.16 10 A 1 ATOM 78 C C . LEU A 1 10 ? -3.158 3.231 -1.487 1.00 97.58 10 A 1 ATOM 79 O O . LEU A 1 10 ? -3.761 4.298 -1.572 1.00 97.12 10 A 1 ATOM 80 C CB . LEU A 1 10 ? -2.398 2.186 -3.632 1.00 96.81 10 A 1 ATOM 81 C CG . LEU A 1 10 ? -1.667 2.595 -4.915 1.00 95.01 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -2.006 4.025 -5.276 1.00 93.10 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? -0.169 2.432 -4.764 1.00 92.48 10 A 1 ATOM 84 N N . LEU A 1 11 ? -3.498 2.274 -0.639 1.00 96.95 11 A 1 ATOM 85 C CA . LEU A 1 11 ? -4.643 2.423 0.257 1.00 97.00 11 A 1 ATOM 86 C C . LEU A 1 11 ? -4.467 3.589 1.236 1.00 97.57 11 A 1 ATOM 87 O O . LEU A 1 11 ? -5.318 4.479 1.294 1.00 97.23 11 A 1 ATOM 88 C CB . LEU A 1 11 ? -4.873 1.117 1.024 1.00 96.57 11 A 1 ATOM 89 C CG . LEU A 1 11 ? -6.198 1.061 1.771 1.00 92.81 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? -7.349 0.885 0.794 1.00 91.20 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? -6.177 -0.080 2.778 1.00 91.17 11 A 1 ATOM 92 N N . PRO A 1 12 ? -3.389 3.612 2.034 1.00 97.65 12 A 1 ATOM 93 C CA . PRO A 1 12 ? -3.166 4.699 2.997 1.00 97.53 12 A 1 ATOM 94 C C . PRO A 1 12 ? -2.912 6.039 2.322 1.00 97.89 12 A 1 ATOM 95 O O . PRO A 1 12 ? -3.268 7.084 2.866 1.00 97.35 12 A 1 ATOM 96 C CB . PRO A 1 12 ? -1.929 4.241 3.778 1.00 96.52 12 A 1 ATOM 97 C CG . PRO A 1 12 ? -1.230 3.311 2.855 1.00 95.83 12 A 1 ATOM 98 C CD . PRO A 1 12 ? -2.331 2.614 2.086 1.00 97.49 12 A 1 ATOM 99 N N . VAL A 1 13 ? -2.312 6.030 1.152 1.00 97.43 13 A 1 ATOM 100 C CA . VAL A 1 13 ? -2.036 7.257 0.408 1.00 97.38 13 A 1 ATOM 101 C C . VAL A 1 13 ? -3.337 7.934 -0.010 1.00 97.74 13 A 1 ATOM 102 O O . VAL A 1 13 ? -3.453 9.160 0.031 1.00 97.22 13 A 1 ATOM 103 C CB . VAL A 1 13 ? -1.175 6.963 -0.834 1.00 96.58 13 A 1 ATOM 104 C CG1 . VAL A 1 13 ? -1.066 8.197 -1.720 1.00 94.03 13 A 1 ATOM 105 C CG2 . VAL A 1 13 ? 0.212 6.510 -0.414 1.00 93.81 13 A 1 ATOM 106 N N . ALA A 1 14 ? -4.319 7.145 -0.393 1.00 97.80 14 A 1 ATOM 107 C CA . ALA A 1 14 ? -5.617 7.665 -0.812 1.00 97.79 14 A 1 ATOM 108 C C . ALA A 1 14 ? -6.351 8.306 0.359 1.00 98.05 14 A 1 ATOM 109 O O . ALA A 1 14 ? -7.044 9.308 0.197 1.00 97.47 14 A 1 ATOM 110 C CB . ALA A 1 14 ? -6.461 6.542 -1.408 1.00 97.26 14 A 1 ATOM 111 N N . ILE A 1 15 ? -6.204 7.736 1.546 1.00 97.58 15 A 1 ATOM 112 C CA . ILE A 1 15 ? -6.844 8.256 2.752 1.00 97.26 15 A 1 ATOM 113 C C . ILE A 1 15 ? -6.117 9.498 3.258 1.00 97.34 15 A 1 ATOM 114 O O . ILE A 1 15 ? -6.741 10.443 3.748 1.00 96.72 15 A 1 ATOM 115 C CB . ILE A 1 15 ? -6.869 7.188 3.859 1.00 96.74 15 A 1 ATOM 116 C CG1 . ILE A 1 15 ? -7.634 5.950 3.383 1.00 94.57 15 A 1 ATOM 117 C CG2 . ILE A 1 15 ? -7.522 7.749 5.123 1.00 93.10 15 A 1 ATOM 118 C CD1 . ILE A 1 15 ? -7.440 4.752 4.287 1.00 89.08 15 A 1 ATOM 119 N N . PHE A 1 16 ? -4.805 9.483 3.155 1.00 97.10 16 A 1 ATOM 120 C CA . PHE A 1 16 ? -3.987 10.607 3.596 1.00 96.78 16 A 1 ATOM 121 C C . PHE A 1 16 ? -4.244 11.843 2.737 1.00 97.09 16 A 1 ATOM 122 O O . PHE A 1 16 ? -4.269 12.965 3.247 1.00 96.31 16 A 1 ATOM 123 C CB . PHE A 1 16 ? -2.506 10.232 3.529 1.00 95.72 16 A 1 ATOM 124 C CG . PHE A 1 16 ? -1.593 11.359 3.928 1.00 93.17 16 A 1 ATOM 125 C CD1 . PHE A 1 16 ? -1.450 11.710 5.256 1.00 90.45 16 A 1 ATOM 126 C CD2 . PHE A 1 16 ? -0.890 12.067 2.967 1.00 90.65 16 A 1 ATOM 127 C CE1 . PHE A 1 16 ? -0.613 12.752 5.629 1.00 89.93 16 A 1 ATOM 128 C CE2 . PHE A 1 16 ? -0.054 13.117 3.334 1.00 89.55 16 A 1 ATOM 129 C CZ . PHE A 1 16 ? 0.084 13.456 4.667 1.00 89.54 16 A 1 ATOM 130 N N . ALA A 1 17 ? -4.417 11.646 1.466 1.00 95.51 17 A 1 ATOM 131 C CA . ALA A 1 17 ? -4.652 12.751 0.536 1.00 94.27 17 A 1 ATOM 132 C C . ALA A 1 17 ? -6.144 13.082 0.466 1.00 92.82 17 A 1 ATOM 133 O O . ALA A 1 17 ? -6.638 13.821 1.336 1.00 89.71 17 A 1 ATOM 134 C CB . ALA A 1 17 ? -4.111 12.396 -0.846 1.00 91.34 17 A 1 ATOM 135 O OXT . ALA A 1 17 ? -6.824 12.600 -0.433 1.00 83.02 17 A 1 #