# 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_aca5 # _entry.id aca5 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "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 LEU 3 1 n THR 4 1 n GLU 5 1 n TYR 6 1 n ILE 7 1 n ASP 8 1 n LYS 9 1 n ASN 10 1 n PHE 11 1 n ALA 12 1 n GLY 13 1 n ASN 14 1 n LYS 15 1 n ALA 16 1 n ALA 17 1 n PHE 18 1 n ALA 19 1 n ARG 20 1 n HIS 21 1 n MET 22 1 n GLY 23 1 n VAL 24 1 n ASP 25 1 n ALA 26 1 n GLN 27 1 n ALA 28 1 n VAL 29 1 n ASN 30 1 n LYS 31 1 n TRP 32 1 n ILE 33 1 n LYS 34 1 n SER 35 1 n GLU 36 1 n TRP 37 1 n PHE 38 1 n VAL 39 1 n SER 40 1 n THR 41 1 n THR 42 1 n ASP 43 1 n ASP 44 1 n ASN 45 1 n LYS 46 1 n ILE 47 1 n TYR 48 1 n LEU 49 1 n SER 50 1 n SER 51 1 n VAL 52 1 n ARG 53 1 n ARG 54 1 n GLU 55 1 n ILE 56 1 n PRO 57 1 n PRO 58 1 n VAL 59 1 n ALA 60 # _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 (3.0.1 @ 2025-04-06 19:32:40)" _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 91.64 _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 90.74 1 1 A SER 2 2 94.98 1 2 A LEU 3 2 97.02 1 3 A THR 4 2 94.90 1 4 A GLU 5 2 90.36 1 5 A TYR 6 2 96.21 1 6 A ILE 7 2 97.71 1 7 A ASP 8 2 95.34 1 8 A LYS 9 2 89.75 1 9 A ASN 10 2 93.96 1 10 A PHE 11 2 97.50 1 11 A ALA 12 2 97.78 1 12 A GLY 13 2 97.02 1 13 A ASN 14 2 96.09 1 14 A LYS 15 2 93.17 1 15 A ALA 16 2 97.04 1 16 A ALA 17 2 97.80 1 17 A PHE 18 2 97.49 1 18 A ALA 19 2 97.68 1 19 A ARG 20 2 85.46 1 20 A HIS 21 2 92.84 1 21 A MET 22 2 95.37 1 22 A GLY 23 2 96.98 1 23 A VAL 24 2 97.00 1 24 A ASP 25 2 90.12 1 25 A ALA 26 2 95.53 1 26 A GLN 27 2 86.71 1 27 A ALA 28 2 97.05 1 28 A VAL 29 2 97.51 1 29 A ASN 30 2 93.21 1 30 A LYS 31 2 89.11 1 31 A TRP 32 2 96.47 1 32 A ILE 33 2 96.08 1 33 A LYS 34 2 88.72 1 34 A SER 35 2 93.83 1 35 A GLU 36 2 88.86 1 36 A TRP 37 2 94.54 1 37 A PHE 38 2 93.10 1 38 A VAL 39 2 94.88 1 39 A SER 40 2 91.94 1 40 A THR 41 2 86.93 1 41 A THR 42 2 88.77 1 42 A ASP 43 2 86.96 1 43 A ASP 44 2 87.09 1 44 A ASN 45 2 86.57 1 45 A LYS 46 2 89.42 1 46 A ILE 47 2 91.44 1 47 A TYR 48 2 91.76 1 48 A LEU 49 2 93.26 1 49 A SER 50 2 93.46 1 50 A SER 51 2 90.69 1 51 A VAL 52 2 84.22 1 52 A ARG 53 2 74.26 1 53 A ARG 54 2 77.15 1 54 A GLU 55 2 83.62 1 55 A ILE 56 2 89.92 1 56 A PRO 57 2 92.30 1 57 A PRO 58 2 93.56 1 58 A VAL 59 2 88.00 1 59 A ALA 60 2 82.69 1 60 # _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 LEU . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n GLU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ASP . 8 A 8 A 9 1 n LYS . 9 A 9 A 10 1 n ASN . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n ASN . 14 A 14 A 15 1 n LYS . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ARG . 20 A 20 A 21 1 n HIS . 21 A 21 A 22 1 n MET . 22 A 22 A 23 1 n GLY . 23 A 23 A 24 1 n VAL . 24 A 24 A 25 1 n ASP . 25 A 25 A 26 1 n ALA . 26 A 26 A 27 1 n GLN . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n VAL . 29 A 29 A 30 1 n ASN . 30 A 30 A 31 1 n LYS . 31 A 31 A 32 1 n TRP . 32 A 32 A 33 1 n ILE . 33 A 33 A 34 1 n LYS . 34 A 34 A 35 1 n SER . 35 A 35 A 36 1 n GLU . 36 A 36 A 37 1 n TRP . 37 A 37 A 38 1 n PHE . 38 A 38 A 39 1 n VAL . 39 A 39 A 40 1 n SER . 40 A 40 A 41 1 n THR . 41 A 41 A 42 1 n THR . 42 A 42 A 43 1 n ASP . 43 A 43 A 44 1 n ASP . 44 A 44 A 45 1 n ASN . 45 A 45 A 46 1 n LYS . 46 A 46 A 47 1 n ILE . 47 A 47 A 48 1 n TYR . 48 A 48 A 49 1 n LEU . 49 A 49 A 50 1 n SER . 50 A 50 A 51 1 n SER . 51 A 51 A 52 1 n VAL . 52 A 52 A 53 1 n ARG . 53 A 53 A 54 1 n ARG . 54 A 54 A 55 1 n GLU . 55 A 55 A 56 1 n ILE . 56 A 56 A 57 1 n PRO . 57 A 57 A 58 1 n PRO . 58 A 58 A 59 1 n VAL . 59 A 59 A 60 1 n ALA . 60 A 60 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (fa08f1a239cfd4fd49a5c37bef32bd41139da97e359ba389d3209450484ef018)" # _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 ? 9.930 3.989 0.361 1.00 93.33 1 A 1 ATOM 2 C CA . MET A 1 1 ? 9.044 5.167 0.446 1.00 94.77 1 A 1 ATOM 3 C C . MET A 1 1 ? 7.706 4.712 1.006 1.00 95.58 1 A 1 ATOM 4 O O . MET A 1 1 ? 7.193 3.700 0.533 1.00 94.77 1 A 1 ATOM 5 C CB . MET A 1 1 ? 8.884 5.813 -0.940 1.00 92.22 1 A 1 ATOM 6 C CG . MET A 1 1 ? 8.011 7.084 -0.920 1.00 87.92 1 A 1 ATOM 7 S SD . MET A 1 1 ? 7.778 7.838 -2.554 1.00 86.80 1 A 1 ATOM 8 C CE . MET A 1 1 ? 9.434 8.507 -2.853 1.00 80.52 1 A 1 ATOM 9 N N . SER A 1 2 ? 7.147 5.412 1.998 1.00 95.94 2 A 1 ATOM 10 C CA . SER A 1 2 ? 5.803 5.107 2.505 1.00 96.19 2 A 1 ATOM 11 C C . SER A 1 2 ? 4.733 5.409 1.450 1.00 96.65 2 A 1 ATOM 12 O O . SER A 1 2 ? 4.934 6.211 0.535 1.00 96.10 2 A 1 ATOM 13 C CB . SER A 1 2 ? 5.522 5.877 3.803 1.00 95.02 2 A 1 ATOM 14 O OG . SER A 1 2 ? 5.419 7.255 3.539 1.00 89.98 2 A 1 ATOM 15 N N . LEU A 1 3 ? 3.562 4.786 1.572 1.00 96.69 3 A 1 ATOM 16 C CA . LEU A 1 3 ? 2.437 5.089 0.686 1.00 97.33 3 A 1 ATOM 17 C C . LEU A 1 3 ? 2.006 6.560 0.809 1.00 97.63 3 A 1 ATOM 18 O O . LEU A 1 3 ? 1.666 7.184 -0.191 1.00 97.58 3 A 1 ATOM 19 C CB . LEU A 1 3 ? 1.286 4.119 1.008 1.00 97.32 3 A 1 ATOM 20 C CG . LEU A 1 3 ? 0.007 4.383 0.192 1.00 96.81 3 A 1 ATOM 21 C CD1 . LEU A 1 3 ? 0.249 4.338 -1.321 1.00 96.32 3 A 1 ATOM 22 C CD2 . LEU A 1 3 ? -1.045 3.329 0.541 1.00 96.45 3 A 1 ATOM 23 N N . THR A 1 4 ? 2.052 7.123 2.016 1.00 97.26 4 A 1 ATOM 24 C CA . THR A 1 4 ? 1.731 8.539 2.248 1.00 97.16 4 A 1 ATOM 25 C C . THR A 1 4 ? 2.682 9.454 1.478 1.00 97.37 4 A 1 ATOM 26 O O . THR A 1 4 ? 2.212 10.279 0.701 1.00 97.06 4 A 1 ATOM 27 C CB . THR A 1 4 ? 1.754 8.870 3.747 1.00 96.40 4 A 1 ATOM 28 O OG1 . THR A 1 4 ? 0.833 8.037 4.418 1.00 90.35 4 A 1 ATOM 29 C CG2 . THR A 1 4 ? 1.329 10.311 4.031 1.00 88.69 4 A 1 ATOM 30 N N . GLU A 1 5 ? 3.995 9.244 1.596 1.00 96.92 5 A 1 ATOM 31 C CA . GLU A 1 5 ? 4.993 10.038 0.859 1.00 96.79 5 A 1 ATOM 32 C C . GLU A 1 5 ? 4.812 9.922 -0.663 1.00 97.08 5 A 1 ATOM 33 O O . GLU A 1 5 ? 4.980 10.897 -1.399 1.00 96.57 5 A 1 ATOM 34 C CB . GLU A 1 5 ? 6.402 9.538 1.204 1.00 95.93 5 A 1 ATOM 35 C CG . GLU A 1 5 ? 6.859 9.886 2.627 1.00 88.05 5 A 1 ATOM 36 C CD . GLU A 1 5 ? 8.100 9.060 3.015 1.00 84.72 5 A 1 ATOM 37 O OE1 . GLU A 1 5 ? 9.022 9.627 3.626 1.00 78.36 5 A 1 ATOM 38 O OE2 . GLU A 1 5 ? 8.104 7.837 2.706 1.00 78.81 5 A 1 ATOM 39 N N . TYR A 1 6 ? 4.452 8.721 -1.156 1.00 97.30 6 A 1 ATOM 40 C CA . TYR A 1 6 ? 4.168 8.527 -2.577 1.00 97.31 6 A 1 ATOM 41 C C . TYR A 1 6 ? 2.950 9.342 -3.033 1.00 97.58 6 A 1 ATOM 42 O O . TYR A 1 6 ? 2.994 9.971 -4.091 1.00 97.40 6 A 1 ATOM 43 C CB . TYR A 1 6 ? 3.974 7.033 -2.860 1.00 96.90 6 A 1 ATOM 44 C CG . TYR A 1 6 ? 3.718 6.748 -4.327 1.00 96.74 6 A 1 ATOM 45 C CD1 . TYR A 1 6 ? 2.400 6.736 -4.832 1.00 96.09 6 A 1 ATOM 46 C CD2 . TYR A 1 6 ? 4.804 6.537 -5.200 1.00 96.25 6 A 1 ATOM 47 C CE1 . TYR A 1 6 ? 2.170 6.516 -6.203 1.00 95.28 6 A 1 ATOM 48 C CE2 . TYR A 1 6 ? 4.581 6.314 -6.569 1.00 95.24 6 A 1 ATOM 49 C CZ . TYR A 1 6 ? 3.262 6.306 -7.072 1.00 94.95 6 A 1 ATOM 50 O OH . TYR A 1 6 ? 3.042 6.099 -8.403 1.00 93.45 6 A 1 ATOM 51 N N . ILE A 1 7 ? 1.875 9.337 -2.243 1.00 97.58 7 A 1 ATOM 52 C CA . ILE A 1 7 ? 0.663 10.115 -2.532 1.00 97.82 7 A 1 ATOM 53 C C . ILE A 1 7 ? 0.960 11.618 -2.460 1.00 97.87 7 A 1 ATOM 54 O O . ILE A 1 7 ? 0.529 12.355 -3.343 1.00 97.76 7 A 1 ATOM 55 C CB . ILE A 1 7 ? -0.488 9.701 -1.586 1.00 98.02 7 A 1 ATOM 56 C CG1 . ILE A 1 7 ? -0.948 8.257 -1.904 1.00 97.78 7 A 1 ATOM 57 C CG2 . ILE A 1 7 ? -1.689 10.659 -1.712 1.00 97.70 7 A 1 ATOM 58 C CD1 . ILE A 1 7 ? -1.868 7.655 -0.839 1.00 97.16 7 A 1 ATOM 59 N N . ASP A 1 8 ? 1.722 12.061 -1.464 1.00 98.07 8 A 1 ATOM 60 C CA . ASP A 1 8 ? 2.103 13.468 -1.336 1.00 98.00 8 A 1 ATOM 61 C C . ASP A 1 8 ? 2.915 13.932 -2.550 1.00 98.01 8 A 1 ATOM 62 O O . ASP A 1 8 ? 2.607 14.962 -3.150 1.00 97.51 8 A 1 ATOM 63 C CB . ASP A 1 8 ? 2.881 13.687 -0.025 1.00 97.55 8 A 1 ATOM 64 C CG . ASP A 1 8 ? 2.014 13.527 1.234 1.00 93.59 8 A 1 ATOM 65 O OD1 . ASP A 1 8 ? 0.766 13.645 1.122 1.00 90.02 8 A 1 ATOM 66 O OD2 . ASP A 1 8 ? 2.590 13.297 2.315 1.00 89.99 8 A 1 ATOM 67 N N . LYS A 1 9 ? 3.883 13.121 -2.978 1.00 97.61 9 A 1 ATOM 68 C CA . LYS A 1 9 ? 4.756 13.439 -4.113 1.00 97.20 9 A 1 ATOM 69 C C . LYS A 1 9 ? 4.031 13.437 -5.463 1.00 97.40 9 A 1 ATOM 70 O O . LYS A 1 9 ? 4.294 14.303 -6.290 1.00 96.71 9 A 1 ATOM 71 C CB . LYS A 1 9 ? 5.941 12.459 -4.095 1.00 96.22 9 A 1 ATOM 72 C CG . LYS A 1 9 ? 6.968 12.784 -5.186 1.00 89.25 9 A 1 ATOM 73 C CD . LYS A 1 9 ? 8.167 11.831 -5.102 1.00 86.58 9 A 1 ATOM 74 C CE . LYS A 1 9 ? 9.143 12.166 -6.233 1.00 77.08 9 A 1 ATOM 75 N NZ . LYS A 1 9 ? 10.317 11.257 -6.240 1.00 69.68 9 A 1 ATOM 76 N N . ASN A 1 10 ? 3.166 12.450 -5.707 1.00 97.29 10 A 1 ATOM 77 C CA . ASN A 1 10 ? 2.608 12.216 -7.051 1.00 97.00 10 A 1 ATOM 78 C C . ASN A 1 10 ? 1.156 12.697 -7.214 1.00 97.45 10 A 1 ATOM 79 O O . ASN A 1 10 ? 0.692 12.872 -8.336 1.00 96.92 10 A 1 ATOM 80 C CB . ASN A 1 10 ? 2.754 10.729 -7.409 1.00 96.36 10 A 1 ATOM 81 C CG . ASN A 1 10 ? 4.208 10.283 -7.429 1.00 94.71 10 A 1 ATOM 82 O OD1 . ASN A 1 10 ? 4.970 10.553 -8.341 1.00 86.36 10 A 1 ATOM 83 N ND2 . ASN A 1 10 ? 4.647 9.608 -6.396 1.00 85.62 10 A 1 ATOM 84 N N . PHE A 1 11 ? 0.437 12.909 -6.109 1.00 97.60 11 A 1 ATOM 85 C CA . PHE A 1 11 ? -0.974 13.300 -6.101 1.00 97.73 11 A 1 ATOM 86 C C . PHE A 1 11 ? -1.240 14.527 -5.215 1.00 97.88 11 A 1 ATOM 87 O O . PHE A 1 11 ? -2.400 14.801 -4.893 1.00 97.30 11 A 1 ATOM 88 C CB . PHE A 1 11 ? -1.855 12.097 -5.706 1.00 97.78 11 A 1 ATOM 89 C CG . PHE A 1 11 ? -1.772 10.914 -6.656 1.00 97.93 11 A 1 ATOM 90 C CD1 . PHE A 1 11 ? -2.705 10.778 -7.704 1.00 97.29 11 A 1 ATOM 91 C CD2 . PHE A 1 11 ? -0.746 9.960 -6.516 1.00 97.54 11 A 1 ATOM 92 C CE1 . PHE A 1 11 ? -2.607 9.704 -8.605 1.00 97.08 11 A 1 ATOM 93 C CE2 . PHE A 1 11 ? -0.641 8.889 -7.427 1.00 97.17 11 A 1 ATOM 94 C CZ . PHE A 1 11 ? -1.572 8.764 -8.469 1.00 97.16 11 A 1 ATOM 95 N N . ALA A 1 12 ? -0.191 15.260 -4.797 1.00 97.93 12 A 1 ATOM 96 C CA . ALA A 1 12 ? -0.280 16.435 -3.922 1.00 97.98 12 A 1 ATOM 97 C C . ALA A 1 12 ? -1.095 16.164 -2.632 1.00 98.12 12 A 1 ATOM 98 O O . ALA A 1 12 ? -1.946 16.960 -2.231 1.00 97.09 12 A 1 ATOM 99 C CB . ALA A 1 12 ? -0.777 17.637 -4.741 1.00 97.76 12 A 1 ATOM 100 N N . GLY A 1 13 ? -0.909 14.984 -2.021 1.00 97.30 13 A 1 ATOM 101 C CA . GLY A 1 13 ? -1.637 14.534 -0.827 1.00 96.97 13 A 1 ATOM 102 C C . GLY A 1 13 ? -3.088 14.098 -1.073 1.00 97.39 13 A 1 ATOM 103 O O . GLY A 1 13 ? -3.798 13.703 -0.137 1.00 96.41 13 A 1 ATOM 104 N N . ASN A 1 14 ? -3.565 14.121 -2.314 1.00 97.17 14 A 1 ATOM 105 C CA . ASN A 1 14 ? -4.950 13.798 -2.645 1.00 97.40 14 A 1 ATOM 106 C C . ASN A 1 14 ? -5.191 12.276 -2.693 1.00 97.57 14 A 1 ATOM 107 O O . ASN A 1 14 ? -5.153 11.630 -3.746 1.00 97.45 14 A 1 ATOM 108 C CB . ASN A 1 14 ? -5.356 14.534 -3.930 1.00 97.22 14 A 1 ATOM 109 C CG . ASN A 1 14 ? -6.851 14.464 -4.191 1.00 96.51 14 A 1 ATOM 110 O OD1 . ASN A 1 14 ? -7.569 13.566 -3.763 1.00 93.08 14 A 1 ATOM 111 N ND2 . ASN A 1 14 ? -7.380 15.427 -4.910 1.00 92.30 14 A 1 ATOM 112 N N . LYS A 1 15 ? -5.525 11.702 -1.530 1.00 97.26 15 A 1 ATOM 113 C CA . LYS A 1 15 ? -5.850 10.271 -1.374 1.00 97.24 15 A 1 ATOM 114 C C . LYS A 1 15 ? -7.007 9.812 -2.271 1.00 97.36 15 A 1 ATOM 115 O O . LYS A 1 15 ? -6.991 8.683 -2.749 1.00 97.14 15 A 1 ATOM 116 C CB . LYS A 1 15 ? -6.192 9.976 0.093 1.00 96.77 15 A 1 ATOM 117 C CG . LYS A 1 15 ? -5.015 10.247 1.038 1.00 95.03 15 A 1 ATOM 118 C CD . LYS A 1 15 ? -5.416 9.983 2.490 1.00 92.07 15 A 1 ATOM 119 C CE . LYS A 1 15 ? -4.262 10.380 3.413 1.00 86.34 15 A 1 ATOM 120 N NZ . LYS A 1 15 ? -4.632 10.230 4.839 1.00 79.34 15 A 1 ATOM 121 N N . ALA A 1 16 ? -7.995 10.674 -2.503 1.00 97.35 16 A 1 ATOM 122 C CA . ALA A 1 16 ? -9.127 10.336 -3.366 1.00 97.14 16 A 1 ATOM 123 C C . ALA A 1 16 ? -8.723 10.260 -4.850 1.00 97.37 16 A 1 ATOM 124 O O . ALA A 1 16 ? -9.230 9.412 -5.585 1.00 97.01 16 A 1 ATOM 125 C CB . ALA A 1 16 ? -10.247 11.362 -3.137 1.00 96.31 16 A 1 ATOM 126 N N . ALA A 1 17 ? -7.789 11.108 -5.289 1.00 97.99 17 A 1 ATOM 127 C CA . ALA A 1 17 ? -7.220 11.010 -6.634 1.00 97.91 17 A 1 ATOM 128 C C . ALA A 1 17 ? -6.413 9.713 -6.806 1.00 97.88 17 A 1 ATOM 129 O O . ALA A 1 17 ? -6.614 9.004 -7.793 1.00 97.55 17 A 1 ATOM 130 C CB . ALA A 1 17 ? -6.371 12.249 -6.930 1.00 97.69 17 A 1 ATOM 131 N N . PHE A 1 18 ? -5.591 9.353 -5.806 1.00 98.07 18 A 1 ATOM 132 C CA . PHE A 1 18 ? -4.867 8.082 -5.800 1.00 98.05 18 A 1 ATOM 133 C C . PHE A 1 18 ? -5.817 6.873 -5.778 1.00 98.17 18 A 1 ATOM 134 O O . PHE A 1 18 ? -5.627 5.935 -6.545 1.00 98.02 18 A 1 ATOM 135 C CB . PHE A 1 18 ? -3.902 8.054 -4.611 1.00 97.81 18 A 1 ATOM 136 C CG . PHE A 1 18 ? -3.145 6.745 -4.509 1.00 97.83 18 A 1 ATOM 137 C CD1 . PHE A 1 18 ? -3.441 5.833 -3.479 1.00 97.09 18 A 1 ATOM 138 C CD2 . PHE A 1 18 ? -2.173 6.419 -5.471 1.00 97.30 18 A 1 ATOM 139 C CE1 . PHE A 1 18 ? -2.761 4.606 -3.409 1.00 96.73 18 A 1 ATOM 140 C CE2 . PHE A 1 18 ? -1.497 5.189 -5.404 1.00 96.64 18 A 1 ATOM 141 C CZ . PHE A 1 18 ? -1.789 4.283 -4.371 1.00 96.63 18 A 1 ATOM 142 N N . ALA A 1 19 ? -6.878 6.911 -4.963 1.00 97.82 19 A 1 ATOM 143 C CA . ALA A 1 19 ? -7.895 5.858 -4.932 1.00 97.82 19 A 1 ATOM 144 C C . ALA A 1 19 ? -8.525 5.630 -6.317 1.00 97.78 19 A 1 ATOM 145 O O . ALA A 1 19 ? -8.571 4.493 -6.791 1.00 97.43 19 A 1 ATOM 146 C CB . ALA A 1 19 ? -8.953 6.236 -3.885 1.00 97.55 19 A 1 ATOM 147 N N . ARG A 1 20 ? -8.919 6.696 -7.005 1.00 98.06 20 A 1 ATOM 148 C CA . ARG A 1 20 ? -9.438 6.614 -8.384 1.00 97.97 20 A 1 ATOM 149 C C . ARG A 1 20 ? -8.407 6.040 -9.356 1.00 97.78 20 A 1 ATOM 150 O O . ARG A 1 20 ? -8.770 5.219 -10.191 1.00 96.90 20 A 1 ATOM 151 C CB . ARG A 1 20 ? -9.893 7.994 -8.875 1.00 97.59 20 A 1 ATOM 152 C CG . ARG A 1 20 ? -11.197 8.457 -8.205 1.00 90.07 20 A 1 ATOM 153 C CD . ARG A 1 20 ? -11.731 9.735 -8.864 1.00 88.28 20 A 1 ATOM 154 N NE . ARG A 1 20 ? -10.804 10.885 -8.759 1.00 77.90 20 A 1 ATOM 155 C CZ . ARG A 1 20 ? -10.742 11.767 -7.781 1.00 71.50 20 A 1 ATOM 156 N NH1 . ARG A 1 20 ? -11.504 11.689 -6.723 1.00 63.48 20 A 1 ATOM 157 N NH2 . ARG A 1 20 ? -9.907 12.773 -7.848 1.00 60.48 20 A 1 ATOM 158 N N . HIS A 1 21 ? -7.142 6.446 -9.225 1.00 98.04 21 A 1 ATOM 159 C CA . HIS A 1 21 ? -6.058 5.919 -10.057 1.00 97.63 21 A 1 ATOM 160 C C . HIS A 1 21 ? -5.866 4.405 -9.872 1.00 97.62 21 A 1 ATOM 161 O O . HIS A 1 21 ? -5.648 3.686 -10.839 1.00 96.66 21 A 1 ATOM 162 C CB . HIS A 1 21 ? -4.773 6.691 -9.728 1.00 96.87 21 A 1 ATOM 163 C CG . HIS A 1 21 ? -3.588 6.221 -10.528 1.00 94.90 21 A 1 ATOM 164 N ND1 . HIS A 1 21 ? -3.401 6.394 -11.881 1.00 84.35 21 A 1 ATOM 165 C CD2 . HIS A 1 21 ? -2.516 5.514 -10.054 1.00 85.40 21 A 1 ATOM 166 C CE1 . HIS A 1 21 ? -2.241 5.802 -12.213 1.00 87.61 21 A 1 ATOM 167 N NE2 . HIS A 1 21 ? -1.668 5.259 -11.131 1.00 89.37 21 A 1 ATOM 168 N N . MET A 1 22 ? -6.005 3.919 -8.632 1.00 97.32 22 A 1 ATOM 169 C CA . MET A 1 22 ? -5.900 2.494 -8.290 1.00 96.94 22 A 1 ATOM 170 C C . MET A 1 22 ? -7.190 1.694 -8.541 1.00 97.16 22 A 1 ATOM 171 O O . MET A 1 22 ? -7.189 0.479 -8.346 1.00 96.14 22 A 1 ATOM 172 C CB . MET A 1 22 ? -5.465 2.377 -6.819 1.00 96.42 22 A 1 ATOM 173 C CG . MET A 1 22 ? -4.041 2.890 -6.573 1.00 95.16 22 A 1 ATOM 174 S SD . MET A 1 22 ? -2.710 2.014 -7.453 1.00 93.59 22 A 1 ATOM 175 C CE . MET A 1 22 ? -2.832 0.361 -6.719 1.00 90.25 22 A 1 ATOM 176 N N . GLY A 1 23 ? -8.290 2.337 -8.918 1.00 97.32 23 A 1 ATOM 177 C CA . GLY A 1 23 ? -9.590 1.675 -9.106 1.00 97.18 23 A 1 ATOM 178 C C . GLY A 1 23 ? -10.225 1.159 -7.810 1.00 97.52 23 A 1 ATOM 179 O O . GLY A 1 23 ? -10.969 0.180 -7.836 1.00 95.92 23 A 1 ATOM 180 N N . VAL A 1 24 ? -9.931 1.798 -6.666 1.00 97.69 24 A 1 ATOM 181 C CA . VAL A 1 24 ? -10.460 1.429 -5.338 1.00 97.63 24 A 1 ATOM 182 C C . VAL A 1 24 ? -11.153 2.622 -4.672 1.00 97.72 24 A 1 ATOM 183 O O . VAL A 1 24 ? -11.062 3.762 -5.134 1.00 97.09 24 A 1 ATOM 184 C CB . VAL A 1 24 ? -9.363 0.847 -4.417 1.00 97.24 24 A 1 ATOM 185 C CG1 . VAL A 1 24 ? -8.715 -0.405 -5.010 1.00 95.96 24 A 1 ATOM 186 C CG2 . VAL A 1 24 ? -8.272 1.869 -4.076 1.00 95.64 24 A 1 ATOM 187 N N . ASP A 1 25 ? -11.837 2.380 -3.555 1.00 96.51 25 A 1 ATOM 188 C CA . ASP A 1 25 ? -12.397 3.459 -2.742 1.00 96.03 25 A 1 ATOM 189 C C . ASP A 1 25 ? -11.345 4.110 -1.813 1.00 96.44 25 A 1 ATOM 190 O O . ASP A 1 25 ? -10.272 3.572 -1.526 1.00 95.69 25 A 1 ATOM 191 C CB . ASP A 1 25 ? -13.664 2.971 -2.009 1.00 94.00 25 A 1 ATOM 192 C CG . ASP A 1 25 ? -13.393 1.912 -0.938 1.00 85.83 25 A 1 ATOM 193 O OD1 . ASP A 1 25 ? -12.469 2.129 -0.127 1.00 77.92 25 A 1 ATOM 194 O OD2 . ASP A 1 25 ? -14.130 0.906 -0.898 1.00 78.53 25 A 1 ATOM 195 N N . ALA A 1 26 ? -11.656 5.306 -1.309 1.00 96.29 26 A 1 ATOM 196 C CA . ALA A 1 26 ? -10.761 6.036 -0.402 1.00 95.67 26 A 1 ATOM 197 C C . ALA A 1 26 ? -10.566 5.326 0.953 1.00 96.43 26 A 1 ATOM 198 O O . ALA A 1 26 ? -9.558 5.544 1.631 1.00 95.65 26 A 1 ATOM 199 C CB . ALA A 1 26 ? -11.320 7.453 -0.217 1.00 93.60 26 A 1 ATOM 200 N N . GLN A 1 27 ? -11.512 4.467 1.360 1.00 96.23 27 A 1 ATOM 201 C CA . GLN A 1 27 ? -11.407 3.700 2.599 1.00 96.65 27 A 1 ATOM 202 C C . GLN A 1 27 ? -10.329 2.618 2.482 1.00 97.21 27 A 1 ATOM 203 O O . GLN A 1 27 ? -9.557 2.433 3.426 1.00 96.62 27 A 1 ATOM 204 C CB . GLN A 1 27 ? -12.775 3.097 2.950 1.00 96.01 27 A 1 ATOM 205 C CG . GLN A 1 27 ? -12.803 2.550 4.382 1.00 86.04 27 A 1 ATOM 206 C CD . GLN A 1 27 ? -14.129 1.867 4.722 1.00 77.14 27 A 1 ATOM 207 O OE1 . GLN A 1 27 ? -14.850 1.371 3.886 1.00 69.61 27 A 1 ATOM 208 N NE2 . GLN A 1 27 ? -14.493 1.775 5.983 1.00 64.87 27 A 1 ATOM 209 N N . ALA A 1 28 ? -10.216 1.957 1.330 1.00 97.15 28 A 1 ATOM 210 C CA . ALA A 1 28 ? -9.151 1.000 1.042 1.00 97.05 28 A 1 ATOM 211 C C . ALA A 1 28 ? -7.768 1.660 1.144 1.00 97.46 28 A 1 ATOM 212 O O . ALA A 1 28 ? -6.897 1.151 1.851 1.00 97.10 28 A 1 ATOM 213 C CB . ALA A 1 28 ? -9.397 0.389 -0.340 1.00 96.51 28 A 1 ATOM 214 N N . VAL A 1 29 ? -7.587 2.843 0.557 1.00 97.45 29 A 1 ATOM 215 C CA . VAL A 1 29 ? -6.326 3.601 0.661 1.00 97.75 29 A 1 ATOM 216 C C . VAL A 1 29 ? -6.001 3.958 2.114 1.00 97.80 29 A 1 ATOM 217 O O . VAL A 1 29 ? -4.867 3.784 2.558 1.00 97.68 29 A 1 ATOM 218 C CB . VAL A 1 29 ? -6.371 4.866 -0.210 1.00 97.67 29 A 1 ATOM 219 C CG1 . VAL A 1 29 ? -5.094 5.705 -0.084 1.00 97.17 29 A 1 ATOM 220 C CG2 . VAL A 1 29 ? -6.540 4.488 -1.685 1.00 97.07 29 A 1 ATOM 221 N N . ASN A 1 30 ? -6.984 4.397 2.897 1.00 97.37 30 A 1 ATOM 222 C CA . ASN A 1 30 ? -6.774 4.675 4.318 1.00 97.11 30 A 1 ATOM 223 C C . ASN A 1 30 ? -6.382 3.416 5.110 1.00 97.06 30 A 1 ATOM 224 O O . ASN A 1 30 ? -5.550 3.505 6.014 1.00 96.39 30 A 1 ATOM 225 C CB . ASN A 1 30 ? -8.033 5.316 4.906 1.00 96.49 30 A 1 ATOM 226 C CG . ASN A 1 30 ? -8.179 6.780 4.542 1.00 92.39 30 A 1 ATOM 227 O OD1 . ASN A 1 30 ? -7.219 7.539 4.464 1.00 85.08 30 A 1 ATOM 228 N ND2 . ASN A 1 30 ? -9.395 7.245 4.371 1.00 83.82 30 A 1 ATOM 229 N N . LYS A 1 31 ? -6.943 2.237 4.781 1.00 97.51 31 A 1 ATOM 230 C CA . LYS A 1 31 ? -6.545 0.957 5.389 1.00 97.14 31 A 1 ATOM 231 C C . LYS A 1 31 ? -5.101 0.600 5.041 1.00 97.24 31 A 1 ATOM 232 O O . LYS A 1 31 ? -4.359 0.211 5.937 1.00 96.86 31 A 1 ATOM 233 C CB . LYS A 1 31 ? -7.484 -0.176 4.953 1.00 96.59 31 A 1 ATOM 234 C CG . LYS A 1 31 ? -8.871 -0.106 5.616 1.00 87.77 31 A 1 ATOM 235 C CD . LYS A 1 31 ? -9.784 -1.189 5.026 1.00 85.72 31 A 1 ATOM 236 C CE . LYS A 1 31 ? -11.181 -1.132 5.645 1.00 75.97 31 A 1 ATOM 237 N NZ . LYS A 1 31 ? -12.112 -2.097 5.003 1.00 67.21 31 A 1 ATOM 238 N N . TRP A 1 32 ? -4.685 0.786 3.789 1.00 97.49 32 A 1 ATOM 239 C CA . TRP A 1 32 ? -3.298 0.561 3.381 1.00 97.49 32 A 1 ATOM 240 C C . TRP A 1 32 ? -2.327 1.475 4.129 1.00 97.48 32 A 1 ATOM 241 O O . TRP A 1 32 ? -1.343 0.987 4.677 1.00 97.02 32 A 1 ATOM 242 C CB . TRP A 1 32 ? -3.167 0.751 1.869 1.00 97.33 32 A 1 ATOM 243 C CG . TRP A 1 32 ? -3.935 -0.202 1.008 1.00 97.28 32 A 1 ATOM 244 C CD1 . TRP A 1 32 ? -4.350 -1.449 1.352 1.00 96.61 32 A 1 ATOM 245 C CD2 . TRP A 1 32 ? -4.349 -0.012 -0.376 1.00 97.03 32 A 1 ATOM 246 N NE1 . TRP A 1 32 ? -4.990 -2.040 0.278 1.00 95.84 32 A 1 ATOM 247 C CE2 . TRP A 1 32 ? -5.004 -1.201 -0.816 1.00 96.25 32 A 1 ATOM 248 C CE3 . TRP A 1 32 ? -4.214 1.039 -1.312 1.00 96.03 32 A 1 ATOM 249 C CZ2 . TRP A 1 32 ? -5.494 -1.343 -2.127 1.00 94.83 32 A 1 ATOM 250 C CZ3 . TRP A 1 32 ? -4.707 0.904 -2.622 1.00 95.26 32 A 1 ATOM 251 C CH2 . TRP A 1 32 ? -5.344 -0.281 -3.030 1.00 94.60 32 A 1 ATOM 252 N N . ILE A 1 33 ? -2.631 2.769 4.252 1.00 96.90 33 A 1 ATOM 253 C CA . ILE A 1 33 ? -1.808 3.720 5.016 1.00 96.64 33 A 1 ATOM 254 C C . ILE A 1 33 ? -1.705 3.295 6.487 1.00 96.11 33 A 1 ATOM 255 O O . ILE A 1 33 ? -0.607 3.210 7.024 1.00 95.42 33 A 1 ATOM 256 C CB . ILE A 1 33 ? -2.367 5.152 4.873 1.00 96.79 33 A 1 ATOM 257 C CG1 . ILE A 1 33 ? -2.159 5.656 3.427 1.00 96.31 33 A 1 ATOM 258 C CG2 . ILE A 1 33 ? -1.700 6.122 5.871 1.00 96.14 33 A 1 ATOM 259 C CD1 . ILE A 1 33 ? -2.963 6.912 3.091 1.00 94.29 33 A 1 ATOM 260 N N . LYS A 1 34 ? -2.827 2.964 7.136 1.00 96.73 34 A 1 ATOM 261 C CA . LYS A 1 34 ? -2.843 2.493 8.537 1.00 96.03 34 A 1 ATOM 262 C C . LYS A 1 34 ? -2.094 1.172 8.738 1.00 95.42 34 A 1 ATOM 263 O O . LYS A 1 34 ? -1.638 0.893 9.839 1.00 94.36 34 A 1 ATOM 264 C CB . LYS A 1 34 ? -4.288 2.315 9.013 1.00 95.89 34 A 1 ATOM 265 C CG . LYS A 1 34 ? -4.988 3.652 9.273 1.00 89.31 34 A 1 ATOM 266 C CD . LYS A 1 34 ? -6.426 3.394 9.730 1.00 84.76 34 A 1 ATOM 267 C CE . LYS A 1 34 ? -7.131 4.716 10.028 1.00 77.05 34 A 1 ATOM 268 N NZ . LYS A 1 34 ? -8.472 4.493 10.621 1.00 68.92 34 A 1 ATOM 269 N N . SER A 1 35 ? -2.001 0.357 7.701 1.00 95.97 35 A 1 ATOM 270 C CA . SER A 1 35 ? -1.293 -0.928 7.717 1.00 95.21 35 A 1 ATOM 271 C C . SER A 1 35 ? 0.160 -0.804 7.256 1.00 95.17 35 A 1 ATOM 272 O O . SER A 1 35 ? 0.794 -1.821 6.988 1.00 93.73 35 A 1 ATOM 273 C CB . SER A 1 35 ? -2.047 -1.972 6.886 1.00 94.11 35 A 1 ATOM 274 O OG . SER A 1 35 ? -3.401 -2.050 7.287 1.00 88.82 35 A 1 ATOM 275 N N . GLU A 1 36 ? 0.674 0.431 7.162 1.00 95.27 36 A 1 ATOM 276 C CA . GLU A 1 36 ? 2.072 0.754 6.843 1.00 94.89 36 A 1 ATOM 277 C C . GLU A 1 36 ? 2.532 0.203 5.480 1.00 95.71 36 A 1 ATOM 278 O O . GLU A 1 36 ? 3.679 -0.190 5.300 1.00 94.78 36 A 1 ATOM 279 C CB . GLU A 1 36 ? 2.995 0.336 7.993 1.00 93.32 36 A 1 ATOM 280 C CG . GLU A 1 36 ? 2.573 0.912 9.348 1.00 88.96 36 A 1 ATOM 281 C CD . GLU A 1 36 ? 3.385 0.274 10.480 1.00 84.08 36 A 1 ATOM 282 O OE1 . GLU A 1 36 ? 4.081 1.028 11.182 1.00 76.40 36 A 1 ATOM 283 O OE2 . GLU A 1 36 ? 3.256 -0.970 10.646 1.00 76.35 36 A 1 ATOM 284 N N . TRP A 1 37 ? 1.622 0.155 4.511 1.00 96.18 37 A 1 ATOM 285 C CA . TRP A 1 37 ? 2.004 -0.211 3.153 1.00 96.64 37 A 1 ATOM 286 C C . TRP A 1 37 ? 2.999 0.805 2.589 1.00 96.99 37 A 1 ATOM 287 O O . TRP A 1 37 ? 2.940 2.004 2.881 1.00 96.43 37 A 1 ATOM 288 C CB . TRP A 1 37 ? 0.777 -0.365 2.255 1.00 96.48 37 A 1 ATOM 289 C CG . TRP A 1 37 ? -0.053 -1.591 2.488 1.00 96.05 37 A 1 ATOM 290 C CD1 . TRP A 1 37 ? -0.482 -2.052 3.683 1.00 94.32 37 A 1 ATOM 291 C CD2 . TRP A 1 37 ? -0.567 -2.531 1.495 1.00 94.61 37 A 1 ATOM 292 N NE1 . TRP A 1 37 ? -1.222 -3.205 3.502 1.00 93.08 37 A 1 ATOM 293 C CE2 . TRP A 1 37 ? -1.311 -3.543 2.168 1.00 93.79 37 A 1 ATOM 294 C CE3 . TRP A 1 37 ? -0.478 -2.626 0.095 1.00 93.30 37 A 1 ATOM 295 C CZ2 . TRP A 1 37 ? -1.937 -4.594 1.486 1.00 92.40 37 A 1 ATOM 296 C CZ3 . TRP A 1 37 ? -1.098 -3.674 -0.597 1.00 91.88 37 A 1 ATOM 297 C CH2 . TRP A 1 37 ? -1.830 -4.657 0.090 1.00 91.40 37 A 1 ATOM 298 N N . PHE A 1 38 ? 3.916 0.312 1.763 1.00 96.49 38 A 1 ATOM 299 C CA . PHE A 1 38 ? 4.979 1.112 1.168 1.00 96.43 38 A 1 ATOM 300 C C . PHE A 1 38 ? 5.059 0.883 -0.336 1.00 96.66 38 A 1 ATOM 301 O O . PHE A 1 38 ? 4.557 -0.105 -0.874 1.00 95.86 38 A 1 ATOM 302 C CB . PHE A 1 38 ? 6.303 0.815 1.883 1.00 95.35 38 A 1 ATOM 303 C CG . PHE A 1 38 ? 6.841 -0.586 1.668 1.00 94.07 38 A 1 ATOM 304 C CD1 . PHE A 1 38 ? 6.392 -1.654 2.468 1.00 91.69 38 A 1 ATOM 305 C CD2 . PHE A 1 38 ? 7.797 -0.825 0.661 1.00 91.59 38 A 1 ATOM 306 C CE1 . PHE A 1 38 ? 6.891 -2.947 2.261 1.00 88.38 38 A 1 ATOM 307 C CE2 . PHE A 1 38 ? 8.295 -2.121 0.457 1.00 89.47 38 A 1 ATOM 308 C CZ . PHE A 1 38 ? 7.843 -3.183 1.254 1.00 88.15 38 A 1 ATOM 309 N N . VAL A 1 39 ? 5.700 1.818 -1.009 1.00 96.55 39 A 1 ATOM 310 C CA . VAL A 1 39 ? 5.953 1.758 -2.445 1.00 96.36 39 A 1 ATOM 311 C C . VAL A 1 39 ? 7.420 1.415 -2.670 1.00 95.48 39 A 1 ATOM 312 O O . VAL A 1 39 ? 8.314 2.044 -2.094 1.00 93.64 39 A 1 ATOM 313 C CB . VAL A 1 39 ? 5.538 3.068 -3.124 1.00 95.80 39 A 1 ATOM 314 C CG1 . VAL A 1 39 ? 5.794 3.016 -4.630 1.00 92.96 39 A 1 ATOM 315 C CG2 . VAL A 1 39 ? 4.044 3.342 -2.909 1.00 93.39 39 A 1 ATOM 316 N N . SER A 1 40 ? 7.663 0.412 -3.513 1.00 95.88 40 A 1 ATOM 317 C CA . SER A 1 40 ? 8.992 0.007 -3.967 1.00 94.48 40 A 1 ATOM 318 C C . SER A 1 40 ? 9.095 0.143 -5.480 1.00 94.21 40 A 1 ATOM 319 O O . SER A 1 40 ? 8.110 -0.042 -6.196 1.00 91.54 40 A 1 ATOM 320 C CB . SER A 1 40 ? 9.321 -1.419 -3.510 1.00 91.77 40 A 1 ATOM 321 O OG . SER A 1 40 ? 8.336 -2.343 -3.932 1.00 83.79 40 A 1 ATOM 322 N N . THR A 1 41 ? 10.292 0.456 -5.956 1.00 92.61 41 A 1 ATOM 323 C CA . THR A 1 41 ? 10.617 0.509 -7.383 1.00 91.24 41 A 1 ATOM 324 C C . THR A 1 41 ? 11.659 -0.566 -7.669 1.00 90.82 41 A 1 ATOM 325 O O . THR A 1 41 ? 12.608 -0.714 -6.901 1.00 88.16 41 A 1 ATOM 326 C CB . THR A 1 41 ? 11.118 1.901 -7.789 1.00 88.66 41 A 1 ATOM 327 O OG1 . THR A 1 41 ? 10.210 2.889 -7.350 1.00 79.45 41 A 1 ATOM 328 C CG2 . THR A 1 41 ? 11.239 2.060 -9.303 1.00 77.60 41 A 1 ATOM 329 N N . THR A 1 42 ? 11.460 -1.341 -8.723 1.00 91.87 42 A 1 ATOM 330 C CA . THR A 1 42 ? 12.415 -2.345 -9.209 1.00 90.85 42 A 1 ATOM 331 C C . THR A 1 42 ? 13.426 -1.722 -10.174 1.00 90.46 42 A 1 ATOM 332 O O . THR A 1 42 ? 13.230 -0.612 -10.663 1.00 88.09 42 A 1 ATOM 333 C CB . THR A 1 42 ? 11.682 -3.511 -9.882 1.00 89.90 42 A 1 ATOM 334 O OG1 . THR A 1 42 ? 10.741 -3.040 -10.816 1.00 86.31 42 A 1 ATOM 335 C CG2 . THR A 1 42 ? 10.922 -4.340 -8.845 1.00 83.92 42 A 1 ATOM 336 N N . ASP A 1 43 ? 14.487 -2.469 -10.483 1.00 90.91 43 A 1 ATOM 337 C CA . ASP A 1 43 ? 15.569 -2.014 -11.373 1.00 91.00 43 A 1 ATOM 338 C C . ASP A 1 43 ? 15.085 -1.706 -12.804 1.00 91.86 43 A 1 ATOM 339 O O . ASP A 1 43 ? 15.649 -0.858 -13.488 1.00 89.64 43 A 1 ATOM 340 C CB . ASP A 1 43 ? 16.675 -3.085 -11.404 1.00 89.54 43 A 1 ATOM 341 C CG . ASP A 1 43 ? 17.255 -3.402 -10.021 1.00 83.21 43 A 1 ATOM 342 O OD1 . ASP A 1 43 ? 17.268 -2.494 -9.156 1.00 79.37 43 A 1 ATOM 343 O OD2 . ASP A 1 43 ? 17.636 -4.573 -9.819 1.00 80.17 43 A 1 ATOM 344 N N . ASP A 1 44 ? 13.998 -2.351 -13.244 1.00 91.50 44 A 1 ATOM 345 C CA . ASP A 1 44 ? 13.314 -2.070 -14.516 1.00 91.40 44 A 1 ATOM 346 C C . ASP A 1 44 ? 12.267 -0.938 -14.416 1.00 92.55 44 A 1 ATOM 347 O O . ASP A 1 44 ? 11.396 -0.796 -15.276 1.00 90.19 44 A 1 ATOM 348 C CB . ASP A 1 44 ? 12.744 -3.378 -15.107 1.00 89.36 44 A 1 ATOM 349 C CG . ASP A 1 44 ? 11.559 -3.974 -14.341 1.00 83.25 44 A 1 ATOM 350 O OD1 . ASP A 1 44 ? 11.403 -3.693 -13.135 1.00 78.79 44 A 1 ATOM 351 O OD2 . ASP A 1 44 ? 10.777 -4.742 -14.949 1.00 79.71 44 A 1 ATOM 352 N N . ASN A 1 45 ? 12.367 -0.123 -13.361 1.00 91.73 45 A 1 ATOM 353 C CA . ASN A 1 45 ? 11.549 1.064 -13.110 1.00 92.54 45 A 1 ATOM 354 C C . ASN A 1 45 ? 10.036 0.784 -12.938 1.00 93.59 45 A 1 ATOM 355 O O . ASN A 1 45 ? 9.200 1.680 -13.108 1.00 92.25 45 A 1 ATOM 356 C CB . ASN A 1 45 ? 11.902 2.135 -14.158 1.00 90.57 45 A 1 ATOM 357 C CG . ASN A 1 45 ? 11.606 3.542 -13.695 1.00 82.59 45 A 1 ATOM 358 O OD1 . ASN A 1 45 ? 11.923 3.957 -12.590 1.00 75.79 45 A 1 ATOM 359 N ND2 . ASN A 1 45 ? 11.016 4.358 -14.542 1.00 73.48 45 A 1 ATOM 360 N N . LYS A 1 46 ? 9.660 -0.456 -12.564 1.00 94.08 46 A 1 ATOM 361 C CA . LYS A 1 46 ? 8.278 -0.783 -12.176 1.00 94.57 46 A 1 ATOM 362 C C . LYS A 1 46 ? 8.020 -0.414 -10.720 1.00 94.71 46 A 1 ATOM 363 O O . LYS A 1 46 ? 8.863 -0.607 -9.847 1.00 93.62 46 A 1 ATOM 364 C CB . LYS A 1 46 ? 7.962 -2.258 -12.417 1.00 94.04 46 A 1 ATOM 365 C CG . LYS A 1 46 ? 7.928 -2.590 -13.910 1.00 90.79 46 A 1 ATOM 366 C CD . LYS A 1 46 ? 7.580 -4.071 -14.087 1.00 86.26 46 A 1 ATOM 367 C CE . LYS A 1 46 ? 7.662 -4.429 -15.575 1.00 82.93 46 A 1 ATOM 368 N NZ . LYS A 1 46 ? 8.324 -5.744 -15.753 1.00 73.75 46 A 1 ATOM 369 N N . ILE A 1 47 ? 6.817 0.078 -10.456 1.00 95.13 47 A 1 ATOM 370 C CA . ILE A 1 47 ? 6.388 0.535 -9.134 1.00 94.86 47 A 1 ATOM 371 C C . ILE A 1 47 ? 5.405 -0.481 -8.549 1.00 95.18 47 A 1 ATOM 372 O O . ILE A 1 47 ? 4.417 -0.836 -9.188 1.00 94.23 47 A 1 ATOM 373 C CB . ILE A 1 47 ? 5.791 1.956 -9.224 1.00 93.48 47 A 1 ATOM 374 C CG1 . ILE A 1 47 ? 6.831 2.952 -9.802 1.00 88.49 47 A 1 ATOM 375 C CG2 . ILE A 1 47 ? 5.331 2.418 -7.831 1.00 87.75 47 A 1 ATOM 376 C CD1 . ILE A 1 47 ? 6.292 4.371 -10.017 1.00 82.39 47 A 1 ATOM 377 N N . TYR A 1 48 ? 5.656 -0.921 -7.314 1.00 95.03 48 A 1 ATOM 378 C CA . TYR A 1 48 ? 4.814 -1.870 -6.589 1.00 95.23 48 A 1 ATOM 379 C C . TYR A 1 48 ? 4.339 -1.276 -5.266 1.00 95.55 48 A 1 ATOM 380 O O . TYR A 1 48 ? 5.102 -0.643 -4.537 1.00 94.89 48 A 1 ATOM 381 C CB . TYR A 1 48 ? 5.576 -3.180 -6.354 1.00 94.45 48 A 1 ATOM 382 C CG . TYR A 1 48 ? 5.874 -3.938 -7.636 1.00 93.44 48 A 1 ATOM 383 C CD1 . TYR A 1 48 ? 4.954 -4.887 -8.129 1.00 90.37 48 A 1 ATOM 384 C CD2 . TYR A 1 48 ? 7.061 -3.679 -8.348 1.00 90.29 48 A 1 ATOM 385 C CE1 . TYR A 1 48 ? 5.223 -5.581 -9.324 1.00 88.26 48 A 1 ATOM 386 C CE2 . TYR A 1 48 ? 7.331 -4.368 -9.546 1.00 88.61 48 A 1 ATOM 387 C CZ . TYR A 1 48 ? 6.413 -5.322 -10.033 1.00 88.78 48 A 1 ATOM 388 O OH . TYR A 1 48 ? 6.678 -5.993 -11.188 1.00 86.26 48 A 1 ATOM 389 N N . LEU A 1 49 ? 3.083 -1.533 -4.939 1.00 95.16 49 A 1 ATOM 390 C CA . LEU A 1 49 ? 2.524 -1.312 -3.606 1.00 95.16 49 A 1 ATOM 391 C C . LEU A 1 49 ? 2.652 -2.616 -2.805 1.00 94.84 49 A 1 ATOM 392 O O . LEU A 1 49 ? 2.139 -3.653 -3.229 1.00 93.36 49 A 1 ATOM 393 C CB . LEU A 1 49 ? 1.068 -0.846 -3.755 1.00 94.60 49 A 1 ATOM 394 C CG . LEU A 1 49 ? 0.369 -0.573 -2.415 1.00 92.59 49 A 1 ATOM 395 C CD1 . LEU A 1 49 ? 1.000 0.599 -1.663 1.00 90.08 49 A 1 ATOM 396 C CD2 . LEU A 1 49 ? -1.101 -0.228 -2.663 1.00 90.31 49 A 1 ATOM 397 N N . SER A 1 50 ? 3.321 -2.570 -1.652 1.00 95.65 50 A 1 ATOM 398 C CA . SER A 1 50 ? 3.697 -3.747 -0.863 1.00 95.01 50 A 1 ATOM 399 C C . SER A 1 50 ? 3.320 -3.580 0.607 1.00 95.40 50 A 1 ATOM 400 O O . SER A 1 50 ? 3.434 -2.490 1.168 1.00 93.90 50 A 1 ATOM 401 C CB . SER A 1 50 ? 5.203 -4.002 -0.993 1.00 93.05 50 A 1 ATOM 402 O OG . SER A 1 50 ? 5.543 -4.276 -2.344 1.00 87.73 50 A 1 ATOM 403 N N . SER A 1 51 ? 2.894 -4.670 1.244 1.00 94.05 51 A 1 ATOM 404 C CA . SER A 1 51 ? 2.679 -4.721 2.691 1.00 92.83 51 A 1 ATOM 405 C C . SER A 1 51 ? 3.985 -4.994 3.437 1.00 92.32 51 A 1 ATOM 406 O O . SER A 1 51 ? 4.897 -5.631 2.907 1.00 89.73 51 A 1 ATOM 407 C CB . SER A 1 51 ? 1.638 -5.789 3.049 1.00 90.60 51 A 1 ATOM 408 O OG . SER A 1 51 ? 2.067 -7.071 2.626 1.00 84.59 51 A 1 ATOM 409 N N . VAL A 1 52 ? 4.053 -4.585 4.705 1.00 89.57 52 A 1 ATOM 410 C CA . VAL A 1 52 ? 5.165 -4.952 5.590 1.00 88.69 52 A 1 ATOM 411 C C . VAL A 1 52 ? 5.084 -6.446 5.919 1.00 89.67 52 A 1 ATOM 412 O O . VAL A 1 52 ? 4.018 -6.959 6.272 1.00 86.76 52 A 1 ATOM 413 C CB . VAL A 1 52 ? 5.160 -4.085 6.862 1.00 84.79 52 A 1 ATOM 414 C CG1 . VAL A 1 52 ? 6.341 -4.411 7.779 1.00 74.50 52 A 1 ATOM 415 C CG2 . VAL A 1 52 ? 5.250 -2.593 6.506 1.00 75.53 52 A 1 ATOM 416 N N . ARG A 1 53 ? 6.216 -7.161 5.838 1.00 88.50 53 A 1 ATOM 417 C CA . ARG A 1 53 ? 6.334 -8.524 6.373 1.00 88.45 53 A 1 ATOM 418 C C . ARG A 1 53 ? 6.311 -8.447 7.902 1.00 88.31 53 A 1 ATOM 419 O O . ARG A 1 53 ? 7.074 -7.686 8.487 1.00 86.01 53 A 1 ATOM 420 C CB . ARG A 1 53 ? 7.606 -9.205 5.830 1.00 85.63 53 A 1 ATOM 421 C CG . ARG A 1 53 ? 7.779 -10.625 6.394 1.00 75.08 53 A 1 ATOM 422 C CD . ARG A 1 53 ? 9.039 -11.326 5.859 1.00 72.99 53 A 1 ATOM 423 N NE . ARG A 1 53 ? 8.834 -11.923 4.522 1.00 65.67 53 A 1 ATOM 424 C CZ . ARG A 1 53 ? 9.724 -12.643 3.850 1.00 59.39 53 A 1 ATOM 425 N NH1 . ARG A 1 53 ? 10.939 -12.827 4.287 1.00 56.30 53 A 1 ATOM 426 N NH2 . ARG A 1 53 ? 9.402 -13.216 2.723 1.00 50.51 53 A 1 ATOM 427 N N . ARG A 1 54 ? 5.464 -9.266 8.543 1.00 88.00 54 A 1 ATOM 428 C CA . ARG A 1 54 ? 5.353 -9.347 10.007 1.00 88.38 54 A 1 ATOM 429 C C . ARG A 1 54 ? 5.634 -10.773 10.467 1.00 91.26 54 A 1 ATOM 430 O O . ARG A 1 54 ? 5.218 -11.722 9.807 1.00 90.52 54 A 1 ATOM 431 C CB . ARG A 1 54 ? 3.971 -8.857 10.471 1.00 85.63 54 A 1 ATOM 432 C CG . ARG A 1 54 ? 3.767 -7.367 10.131 1.00 78.00 54 A 1 ATOM 433 C CD . ARG A 1 54 ? 2.423 -6.841 10.647 1.00 75.88 54 A 1 ATOM 434 N NE . ARG A 1 54 ? 2.280 -5.393 10.355 1.00 69.57 54 A 1 ATOM 435 C CZ . ARG A 1 54 ? 1.351 -4.576 10.805 1.00 64.51 54 A 1 ATOM 436 N NH1 . ARG A 1 54 ? 0.363 -4.999 11.540 1.00 60.52 54 A 1 ATOM 437 N NH2 . ARG A 1 54 ? 1.408 -3.298 10.525 1.00 56.34 54 A 1 ATOM 438 N N . GLU A 1 55 ? 6.320 -10.901 11.590 1.00 88.90 55 A 1 ATOM 439 C CA . GLU A 1 55 ? 6.454 -12.191 12.263 1.00 90.30 55 A 1 ATOM 440 C C . GLU A 1 55 ? 5.107 -12.608 12.853 1.00 90.92 55 A 1 ATOM 441 O O . GLU A 1 55 ? 4.334 -11.779 13.345 1.00 89.98 55 A 1 ATOM 442 C CB . GLU A 1 55 ? 7.538 -12.141 13.345 1.00 89.26 55 A 1 ATOM 443 C CG . GLU A 1 55 ? 8.928 -11.946 12.713 1.00 80.86 55 A 1 ATOM 444 C CD . GLU A 1 55 ? 10.071 -12.015 13.733 1.00 76.93 55 A 1 ATOM 445 O OE1 . GLU A 1 55 ? 11.226 -12.108 13.261 1.00 71.50 55 A 1 ATOM 446 O OE2 . GLU A 1 55 ? 9.787 -11.964 14.948 1.00 73.97 55 A 1 ATOM 447 N N . ILE A 1 56 ? 4.818 -13.909 12.774 1.00 90.46 56 A 1 ATOM 448 C CA . ILE A 1 56 ? 3.637 -14.507 13.396 1.00 92.07 56 A 1 ATOM 449 C C . ILE A 1 56 ? 4.087 -15.056 14.754 1.00 92.87 56 A 1 ATOM 450 O O . ILE A 1 56 ? 4.954 -15.932 14.775 1.00 92.74 56 A 1 ATOM 451 C CB . ILE A 1 56 ? 3.014 -15.596 12.493 1.00 90.90 56 A 1 ATOM 452 C CG1 . ILE A 1 56 ? 2.618 -15.003 11.118 1.00 88.39 56 A 1 ATOM 453 C CG2 . ILE A 1 56 ? 1.789 -16.213 13.189 1.00 86.84 56 A 1 ATOM 454 C CD1 . ILE A 1 56 ? 2.085 -16.035 10.116 1.00 85.10 56 A 1 ATOM 455 N N . PRO A 1 57 ? 3.534 -14.561 15.880 1.00 93.06 57 A 1 ATOM 456 C CA . PRO A 1 57 ? 3.835 -15.125 17.191 1.00 92.62 57 A 1 ATOM 457 C C . PRO A 1 57 ? 3.468 -16.615 17.247 1.00 93.14 57 A 1 ATOM 458 O O . PRO A 1 57 ? 2.519 -17.030 16.571 1.00 92.75 57 A 1 ATOM 459 C CB . PRO A 1 57 ? 3.021 -14.310 18.202 1.00 91.40 57 A 1 ATOM 460 C CG . PRO A 1 57 ? 2.723 -13.012 17.465 1.00 90.53 57 A 1 ATOM 461 C CD . PRO A 1 57 ? 2.619 -13.448 16.005 1.00 92.60 57 A 1 ATOM 462 N N . PRO A 1 58 ? 4.163 -17.430 18.061 1.00 94.31 58 A 1 ATOM 463 C CA . PRO A 1 58 ? 3.798 -18.832 18.237 1.00 94.48 58 A 1 ATOM 464 C C . PRO A 1 58 ? 2.368 -18.949 18.772 1.00 94.76 58 A 1 ATOM 465 O O . PRO A 1 58 ? 1.930 -18.140 19.594 1.00 93.04 58 A 1 ATOM 466 C CB . PRO A 1 58 ? 4.839 -19.417 19.199 1.00 93.27 58 A 1 ATOM 467 C CG . PRO A 1 58 ? 5.320 -18.200 19.984 1.00 91.27 58 A 1 ATOM 468 C CD . PRO A 1 58 ? 5.239 -17.064 18.965 1.00 93.76 58 A 1 ATOM 469 N N . VAL A 1 59 ? 1.639 -19.958 18.306 1.00 92.54 59 A 1 ATOM 470 C CA . VAL A 1 59 ? 0.312 -20.298 18.837 1.00 91.48 59 A 1 ATOM 471 C C . VAL A 1 59 ? 0.499 -20.883 20.237 1.00 90.21 59 A 1 ATOM 472 O O . VAL A 1 59 ? 1.329 -21.772 20.418 1.00 87.25 59 A 1 ATOM 473 C CB . VAL A 1 59 ? -0.433 -21.270 17.901 1.00 89.25 59 A 1 ATOM 474 C CG1 . VAL A 1 59 ? -1.856 -21.549 18.391 1.00 82.92 59 A 1 ATOM 475 C CG2 . VAL A 1 59 ? -0.546 -20.693 16.475 1.00 82.35 59 A 1 ATOM 476 N N . ALA A 1 60 ? -0.232 -20.340 21.213 1.00 91.47 60 A 1 ATOM 477 C CA . ALA A 1 60 ? -0.235 -20.818 22.596 1.00 88.50 60 A 1 ATOM 478 C C . ALA A 1 60 ? -0.995 -22.150 22.740 1.00 83.63 60 A 1 ATOM 479 O O . ALA A 1 60 ? -1.958 -22.364 21.980 1.00 76.97 60 A 1 ATOM 480 C CB . ALA A 1 60 ? -0.818 -19.729 23.501 1.00 82.90 60 A 1 ATOM 481 O OXT . ALA A 1 60 ? -0.617 -22.928 23.655 1.00 72.67 60 A 1 #