# 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_spkb33381 # _entry.id spkb33381 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "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 GLU 2 1 n ARG 3 1 n LEU 4 1 n GLN 5 1 n GLY 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n TRP 10 1 n LEU 11 1 n LEU 12 1 n LEU 13 1 n SER 14 1 n PRO 15 1 n SER 16 1 n VAL 17 1 n VAL 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 @ 2025-07-12 11:59:09)" _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 88.85 _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 80.57 1 1 A GLU 2 2 79.01 1 2 A ARG 3 2 80.73 1 3 A LEU 4 2 89.44 1 4 A GLN 5 2 85.98 1 5 A GLY 6 2 94.56 1 6 A LEU 7 2 90.62 1 7 A LEU 8 2 91.93 1 8 A LEU 9 2 91.78 1 9 A TRP 10 2 89.69 1 10 A LEU 11 2 93.02 1 11 A LEU 12 2 92.69 1 12 A LEU 13 2 92.55 1 13 A SER 14 2 92.08 1 14 A PRO 15 2 94.18 1 15 A SER 16 2 91.96 1 16 A VAL 17 2 91.34 1 17 A VAL 18 2 91.13 1 18 A TRP 19 2 87.72 1 19 A ALA 20 2 85.96 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 GLU . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n GLN . 5 A 5 A 6 1 n GLY . 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 TRP . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n PRO . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n VAL . 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 ? -16.055 0.322 0.460 1.00 87.34 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.783 -0.113 1.075 1.00 88.83 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.583 0.410 0.274 1.00 89.97 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.872 -0.350 -0.369 1.00 87.84 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.754 -1.635 1.118 1.00 82.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.846 -2.134 2.231 1.00 77.05 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.034 -3.904 2.447 1.00 69.73 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.955 -4.148 3.850 1.00 60.84 1 A 1 ATOM 9 N N . GLU A 1 2 ? -13.374 1.706 0.309 1.00 84.97 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -12.261 2.330 -0.426 1.00 87.95 2 A 1 ATOM 11 C C . GLU A 1 2 ? -11.152 2.830 0.506 1.00 89.55 2 A 1 ATOM 12 O O . GLU A 1 2 ? -10.062 3.163 0.056 1.00 86.41 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -12.814 3.500 -1.245 1.00 83.45 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -13.515 4.528 -0.364 1.00 75.12 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -14.229 5.558 -1.223 1.00 72.20 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -13.546 6.409 -1.802 1.00 63.57 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -15.447 5.496 -1.327 1.00 67.84 2 A 1 ATOM 18 N N . ARG A 1 3 ? -11.427 2.875 1.797 1.00 91.37 3 A 1 ATOM 19 C CA . ARG A 1 3 ? -10.425 3.343 2.775 1.00 93.05 3 A 1 ATOM 20 C C . ARG A 1 3 ? -9.303 2.320 2.937 1.00 94.23 3 A 1 ATOM 21 O O . ARG A 1 3 ? -8.136 2.687 3.051 1.00 91.96 3 A 1 ATOM 22 C CB . ARG A 1 3 ? -11.103 3.586 4.127 1.00 90.70 3 A 1 ATOM 23 C CG . ARG A 1 3 ? -11.786 4.933 4.180 1.00 81.73 3 A 1 ATOM 24 C CD . ARG A 1 3 ? -12.335 5.178 5.581 1.00 79.01 3 A 1 ATOM 25 N NE . ARG A 1 3 ? -11.282 5.599 6.501 1.00 72.34 3 A 1 ATOM 26 C CZ . ARG A 1 3 ? -11.460 5.739 7.808 1.00 69.04 3 A 1 ATOM 27 N NH1 . ARG A 1 3 ? -12.630 5.473 8.364 1.00 63.55 3 A 1 ATOM 28 N NH2 . ARG A 1 3 ? -10.461 6.143 8.568 1.00 61.05 3 A 1 ATOM 29 N N . LEU A 1 4 ? -9.653 1.043 2.951 1.00 91.88 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -8.661 -0.030 3.102 1.00 93.06 4 A 1 ATOM 31 C C . LEU A 1 4 ? -7.683 -0.024 1.927 1.00 94.02 4 A 1 ATOM 32 O O . LEU A 1 4 ? -6.478 -0.177 2.097 1.00 93.07 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -9.379 -1.385 3.186 1.00 92.77 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -8.838 -2.287 4.290 1.00 88.63 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -7.344 -2.522 4.117 1.00 81.32 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -9.111 -1.651 5.649 1.00 80.76 4 A 1 ATOM 37 N N . GLN A 1 5 ? -8.202 0.149 0.727 1.00 91.75 5 A 1 ATOM 38 C CA . GLN A 1 5 ? -7.368 0.169 -0.482 1.00 93.22 5 A 1 ATOM 39 C C . GLN A 1 5 ? -6.436 1.384 -0.470 1.00 94.31 5 A 1 ATOM 40 O O . GLN A 1 5 ? -5.266 1.285 -0.828 1.00 92.67 5 A 1 ATOM 41 C CB . GLN A 1 5 ? -8.267 0.212 -1.714 1.00 91.54 5 A 1 ATOM 42 C CG . GLN A 1 5 ? -7.604 -0.491 -2.886 1.00 83.18 5 A 1 ATOM 43 C CD . GLN A 1 5 ? -8.540 -0.597 -4.076 1.00 80.08 5 A 1 ATOM 44 O OE1 . GLN A 1 5 ? -9.499 -1.343 -4.070 1.00 74.66 5 A 1 ATOM 45 N NE2 . GLN A 1 5 ? -8.273 0.169 -5.111 1.00 72.41 5 A 1 ATOM 46 N N . GLY A 1 6 ? -6.950 2.521 -0.054 1.00 94.11 6 A 1 ATOM 47 C CA . GLY A 1 6 ? -6.145 3.747 0.006 1.00 94.74 6 A 1 ATOM 48 C C . GLY A 1 6 ? -5.033 3.639 1.034 1.00 95.45 6 A 1 ATOM 49 O O . GLY A 1 6 ? -3.909 4.074 0.799 1.00 93.94 6 A 1 ATOM 50 N N . LEU A 1 7 ? -5.341 3.049 2.175 1.00 94.24 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -4.349 2.872 3.242 1.00 94.05 7 A 1 ATOM 52 C C . LEU A 1 7 ? -3.270 1.875 2.825 1.00 94.86 7 A 1 ATOM 53 O O . LEU A 1 7 ? -2.084 2.093 3.057 1.00 93.85 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -5.048 2.374 4.511 1.00 93.66 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -4.493 3.024 5.773 1.00 88.07 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -5.512 4.001 6.353 1.00 83.17 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -4.150 1.965 6.801 1.00 83.06 7 A 1 ATOM 58 N N . LEU A 1 8 ? -3.690 0.783 2.206 1.00 94.29 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -2.751 -0.249 1.750 1.00 94.57 8 A 1 ATOM 60 C C . LEU A 1 8 ? -1.811 0.304 0.684 1.00 94.96 8 A 1 ATOM 61 O O . LEU A 1 8 ? -0.600 0.107 0.741 1.00 94.61 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -3.542 -1.436 1.187 1.00 94.76 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -3.467 -2.670 2.079 1.00 90.67 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? -4.684 -3.559 1.860 1.00 85.78 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -2.198 -3.452 1.761 1.00 85.79 8 A 1 ATOM 66 N N . LEU A 1 9 ? -2.366 0.990 -0.287 1.00 94.58 9 A 1 ATOM 67 C CA . LEU A 1 9 ? -1.574 1.580 -1.374 1.00 94.56 9 A 1 ATOM 68 C C . LEU A 1 9 ? -0.603 2.622 -0.815 1.00 95.00 9 A 1 ATOM 69 O O . LEU A 1 9 ? 0.557 2.684 -1.212 1.00 94.36 9 A 1 ATOM 70 C CB . LEU A 1 9 ? -2.511 2.239 -2.389 1.00 94.50 9 A 1 ATOM 71 C CG . LEU A 1 9 ? -2.089 1.968 -3.832 1.00 89.35 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? -2.905 0.808 -4.398 1.00 85.88 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? -2.291 3.206 -4.679 1.00 86.00 9 A 1 ATOM 74 N N . TRP A 1 10 ? -1.082 3.431 0.115 1.00 93.56 10 A 1 ATOM 75 C CA . TRP A 1 10 ? -0.256 4.475 0.739 1.00 93.84 10 A 1 ATOM 76 C C . TRP A 1 10 ? 0.924 3.849 1.483 1.00 94.61 10 A 1 ATOM 77 O O . TRP A 1 10 ? 2.046 4.337 1.404 1.00 93.52 10 A 1 ATOM 78 C CB . TRP A 1 10 ? -1.127 5.279 1.708 1.00 93.68 10 A 1 ATOM 79 C CG . TRP A 1 10 ? -0.373 6.376 2.380 1.00 91.70 10 A 1 ATOM 80 C CD1 . TRP A 1 10 ? -0.254 7.661 1.939 1.00 86.99 10 A 1 ATOM 81 C CD2 . TRP A 1 10 ? 0.372 6.305 3.605 1.00 89.57 10 A 1 ATOM 82 N NE1 . TRP A 1 10 ? 0.522 8.388 2.815 1.00 86.86 10 A 1 ATOM 83 C CE2 . TRP A 1 10 ? 0.925 7.586 3.853 1.00 89.10 10 A 1 ATOM 84 C CE3 . TRP A 1 10 ? 0.636 5.278 4.523 1.00 87.74 10 A 1 ATOM 85 C CZ2 . TRP A 1 10 ? 1.716 7.845 4.980 1.00 87.35 10 A 1 ATOM 86 C CZ3 . TRP A 1 10 ? 1.424 5.540 5.645 1.00 83.49 10 A 1 ATOM 87 C CH2 . TRP A 1 10 ? 1.956 6.814 5.866 1.00 83.68 10 A 1 ATOM 88 N N . LEU A 1 11 ? 0.677 2.777 2.200 1.00 94.73 11 A 1 ATOM 89 C CA . LEU A 1 11 ? 1.730 2.083 2.956 1.00 94.45 11 A 1 ATOM 90 C C . LEU A 1 11 ? 2.735 1.423 2.017 1.00 94.80 11 A 1 ATOM 91 O O . LEU A 1 11 ? 3.935 1.418 2.276 1.00 94.10 11 A 1 ATOM 92 C CB . LEU A 1 11 ? 1.081 1.027 3.861 1.00 94.61 11 A 1 ATOM 93 C CG . LEU A 1 11 ? 1.687 0.992 5.264 1.00 92.30 11 A 1 ATOM 94 C CD1 . LEU A 1 11 ? 0.668 0.442 6.256 1.00 89.36 11 A 1 ATOM 95 C CD2 . LEU A 1 11 ? 2.936 0.133 5.285 1.00 89.80 11 A 1 ATOM 96 N N . LEU A 1 12 ? 2.252 0.862 0.924 1.00 94.68 12 A 1 ATOM 97 C CA . LEU A 1 12 ? 3.107 0.187 -0.057 1.00 94.43 12 A 1 ATOM 98 C C . LEU A 1 12 ? 4.027 1.183 -0.763 1.00 94.72 12 A 1 ATOM 99 O O . LEU A 1 12 ? 5.177 0.877 -1.072 1.00 93.45 12 A 1 ATOM 100 C CB . LEU A 1 12 ? 2.216 -0.533 -1.075 1.00 94.26 12 A 1 ATOM 101 C CG . LEU A 1 12 ? 2.671 -1.967 -1.352 1.00 92.03 12 A 1 ATOM 102 C CD1 . LEU A 1 12 ? 1.553 -2.746 -2.036 1.00 88.88 12 A 1 ATOM 103 C CD2 . LEU A 1 12 ? 3.913 -1.972 -2.232 1.00 89.09 12 A 1 ATOM 104 N N . LEU A 1 13 ? 3.533 2.379 -1.013 1.00 94.62 13 A 1 ATOM 105 C CA . LEU A 1 13 ? 4.305 3.412 -1.710 1.00 94.28 13 A 1 ATOM 106 C C . LEU A 1 13 ? 4.985 4.371 -0.732 1.00 94.71 13 A 1 ATOM 107 O O . LEU A 1 13 ? 5.448 5.439 -1.132 1.00 93.16 13 A 1 ATOM 108 C CB . LEU A 1 13 ? 3.361 4.193 -2.634 1.00 93.89 13 A 1 ATOM 109 C CG . LEU A 1 13 ? 2.694 3.329 -3.705 1.00 91.93 13 A 1 ATOM 110 C CD1 . LEU A 1 13 ? 1.439 4.017 -4.218 1.00 88.83 13 A 1 ATOM 111 C CD2 . LEU A 1 13 ? 3.665 3.097 -4.859 1.00 89.01 13 A 1 ATOM 112 N N . SER A 1 14 ? 5.059 3.994 0.534 1.00 94.54 14 A 1 ATOM 113 C CA . SER A 1 14 ? 5.655 4.863 1.553 1.00 94.41 14 A 1 ATOM 114 C C . SER A 1 14 ? 6.631 4.135 2.488 1.00 94.88 14 A 1 ATOM 115 O O . SER A 1 14 ? 6.822 4.551 3.628 1.00 93.01 14 A 1 ATOM 116 C CB . SER A 1 14 ? 4.529 5.496 2.371 1.00 92.12 14 A 1 ATOM 117 O OG . SER A 1 14 ? 5.039 6.292 3.402 1.00 83.50 14 A 1 ATOM 118 N N . PRO A 1 15 ? 7.290 3.053 2.033 1.00 95.23 15 A 1 ATOM 119 C CA . PRO A 1 15 ? 8.238 2.309 2.874 1.00 95.05 15 A 1 ATOM 120 C C . PRO A 1 15 ? 9.641 2.924 2.801 1.00 95.60 15 A 1 ATOM 121 O O . PRO A 1 15 ? 10.584 2.318 2.305 1.00 93.57 15 A 1 ATOM 122 C CB . PRO A 1 15 ? 8.207 0.900 2.270 1.00 93.36 15 A 1 ATOM 123 C CG . PRO A 1 15 ? 7.837 1.094 0.836 1.00 92.07 15 A 1 ATOM 124 C CD . PRO A 1 15 ? 7.140 2.453 0.720 1.00 94.37 15 A 1 ATOM 125 N N . SER A 1 16 ? 9.792 4.135 3.288 1.00 93.73 16 A 1 ATOM 126 C CA . SER A 1 16 ? 11.080 4.840 3.255 1.00 94.28 16 A 1 ATOM 127 C C . SER A 1 16 ? 12.160 4.107 4.054 1.00 94.78 16 A 1 ATOM 128 O O . SER A 1 16 ? 13.346 4.257 3.787 1.00 91.95 16 A 1 ATOM 129 C CB . SER A 1 16 ? 10.900 6.251 3.815 1.00 92.31 16 A 1 ATOM 130 O OG . SER A 1 16 ? 9.958 6.971 3.044 1.00 84.70 16 A 1 ATOM 131 N N . VAL A 1 17 ? 11.759 3.315 5.026 1.00 93.73 17 A 1 ATOM 132 C CA . VAL A 1 17 ? 12.710 2.562 5.860 1.00 93.55 17 A 1 ATOM 133 C C . VAL A 1 17 ? 13.519 1.571 5.021 1.00 94.46 17 A 1 ATOM 134 O O . VAL A 1 17 ? 14.706 1.366 5.265 1.00 92.86 17 A 1 ATOM 135 C CB . VAL A 1 17 ? 11.957 1.802 6.964 1.00 91.73 17 A 1 ATOM 136 C CG1 . VAL A 1 17 ? 12.953 1.155 7.919 1.00 86.11 17 A 1 ATOM 137 C CG2 . VAL A 1 17 ? 11.043 2.744 7.726 1.00 86.93 17 A 1 ATOM 138 N N . VAL A 1 18 ? 12.884 0.953 4.049 1.00 93.16 18 A 1 ATOM 139 C CA . VAL A 1 18 ? 13.553 -0.038 3.193 1.00 92.71 18 A 1 ATOM 140 C C . VAL A 1 18 ? 14.473 0.644 2.176 1.00 93.96 18 A 1 ATOM 141 O O . VAL A 1 18 ? 15.570 0.168 1.902 1.00 93.24 18 A 1 ATOM 142 C CB . VAL A 1 18 ? 12.515 -0.893 2.450 1.00 90.67 18 A 1 ATOM 143 C CG1 . VAL A 1 18 ? 13.207 -2.021 1.694 1.00 86.64 18 A 1 ATOM 144 C CG2 . VAL A 1 18 ? 11.502 -1.462 3.428 1.00 87.51 18 A 1 ATOM 145 N N . TRP A 1 19 ? 14.023 1.751 1.612 1.00 91.72 19 A 1 ATOM 146 C CA . TRP A 1 19 ? 14.808 2.480 0.603 1.00 91.86 19 A 1 ATOM 147 C C . TRP A 1 19 ? 16.014 3.170 1.238 1.00 92.90 19 A 1 ATOM 148 O O . TRP A 1 19 ? 17.116 3.119 0.708 1.00 91.91 19 A 1 ATOM 149 C CB . TRP A 1 19 ? 13.918 3.516 -0.088 1.00 90.54 19 A 1 ATOM 150 C CG . TRP A 1 19 ? 12.570 2.968 -0.465 1.00 88.27 19 A 1 ATOM 151 C CD1 . TRP A 1 19 ? 11.379 3.625 -0.358 1.00 85.57 19 A 1 ATOM 152 C CD2 . TRP A 1 19 ? 12.258 1.679 -1.012 1.00 88.65 19 A 1 ATOM 153 N NE1 . TRP A 1 19 ? 10.360 2.823 -0.801 1.00 85.19 19 A 1 ATOM 154 C CE2 . TRP A 1 19 ? 10.858 1.613 -1.210 1.00 87.59 19 A 1 ATOM 155 C CE3 . TRP A 1 19 ? 13.026 0.552 -1.358 1.00 85.86 19 A 1 ATOM 156 C CZ2 . TRP A 1 19 ? 10.226 0.484 -1.728 1.00 84.12 19 A 1 ATOM 157 C CZ3 . TRP A 1 19 ? 12.395 -0.575 -1.872 1.00 81.72 19 A 1 ATOM 158 C CH2 . TRP A 1 19 ? 11.010 -0.608 -2.053 1.00 82.13 19 A 1 ATOM 159 N N . ALA A 1 20 ? 15.822 3.808 2.367 1.00 91.06 20 A 1 ATOM 160 C CA . ALA A 1 20 ? 16.893 4.535 3.066 1.00 90.33 20 A 1 ATOM 161 C C . ALA A 1 20 ? 17.804 3.582 3.843 1.00 87.37 20 A 1 ATOM 162 O O . ALA A 1 20 ? 17.655 3.457 5.064 1.00 83.63 20 A 1 ATOM 163 C CB . ALA A 1 20 ? 16.271 5.558 3.997 1.00 86.29 20 A 1 ATOM 164 O OXT . ALA A 1 20 ? 18.679 2.982 3.217 1.00 77.10 20 A 1 #