# 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_acrib6 # _entry.id acrib6 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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 GLY 2 1 n LYS 3 1 n THR 4 1 n TYR 5 1 n TRP 6 1 n TYR 7 1 n ASN 8 1 n GLU 9 1 n GLY 10 1 n THR 11 1 n ASP 12 1 n THR 13 1 n LEU 14 1 n LEU 15 1 n THR 16 1 n GLU 17 1 n LYS 18 1 n GLU 19 1 n TYR 20 1 n LYS 21 1 n GLU 22 1 n LEU 23 1 n MET 24 1 n GLU 25 1 n ARG 26 1 n GLU 27 1 n ALA 28 1 n LYS 29 1 n ALA 30 1 n LEU 31 1 n TYR 32 1 n GLU 33 1 n GLU 34 1 n VAL 35 1 n GLN 36 1 n GLU 37 1 n GLU 38 1 n GLU 39 1 n LYS 40 1 n ASP 41 1 n PHE 42 1 n GLU 43 1 n SER 44 1 n SER 45 1 n GLU 46 1 n LYS 47 1 n THR 48 1 n SER 49 1 n PHE 50 1 n GLU 51 1 n GLU 52 1 n PHE 53 1 n LEU 54 1 n LYS 55 1 n THR 56 1 n CYS 57 1 n TYR 58 1 n GLU 59 1 n ASN 60 1 n GLU 61 1 n SER 62 1 n ASP 63 1 n PHE 64 1 n VAL 65 1 n LEU 66 1 n SER 67 1 n ASP 68 1 n ASN 69 1 n GLU 70 1 n GLY 71 1 n ASN 72 1 n LYS 73 1 n LEU 74 1 n GLU 75 1 n GLU 76 1 n TRP 77 # _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 19:35:11)" _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 86.19 _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 48.87 1 1 A GLY 2 2 66.24 1 2 A LYS 3 2 68.26 1 3 A THR 4 2 83.74 1 4 A TYR 5 2 89.63 1 5 A TRP 6 2 89.12 1 6 A TYR 7 2 90.32 1 7 A ASN 8 2 91.22 1 8 A GLU 9 2 80.99 1 9 A GLY 10 2 90.94 1 10 A THR 11 2 91.16 1 11 A ASP 12 2 89.03 1 12 A THR 13 2 91.47 1 13 A LEU 14 2 92.67 1 14 A LEU 15 2 94.45 1 15 A THR 16 2 93.19 1 16 A GLU 17 2 86.11 1 17 A LYS 18 2 87.29 1 18 A GLU 19 2 92.79 1 19 A TYR 20 2 93.31 1 20 A LYS 21 2 88.32 1 21 A GLU 22 2 92.71 1 22 A LEU 23 2 94.12 1 23 A MET 24 2 91.99 1 24 A GLU 25 2 90.08 1 25 A ARG 26 2 86.06 1 26 A GLU 27 2 87.84 1 27 A ALA 28 2 96.56 1 28 A LYS 29 2 89.67 1 29 A ALA 30 2 96.83 1 30 A LEU 31 2 93.03 1 31 A TYR 32 2 95.40 1 32 A GLU 33 2 90.76 1 33 A GLU 34 2 88.87 1 34 A VAL 35 2 93.89 1 35 A GLN 36 2 88.09 1 36 A GLU 37 2 87.14 1 37 A GLU 38 2 88.08 1 38 A GLU 39 2 91.66 1 39 A LYS 40 2 86.46 1 40 A ASP 41 2 89.64 1 41 A PHE 42 2 89.89 1 42 A GLU 43 2 84.43 1 43 A SER 44 2 87.00 1 44 A SER 45 2 87.87 1 45 A GLU 46 2 85.28 1 46 A LYS 47 2 89.58 1 47 A THR 48 2 92.15 1 48 A SER 49 2 94.21 1 49 A PHE 50 2 95.46 1 50 A GLU 51 2 85.97 1 51 A GLU 52 2 85.29 1 52 A PHE 53 2 95.19 1 53 A LEU 54 2 95.32 1 54 A LYS 55 2 88.58 1 55 A THR 56 2 93.53 1 56 A CYS 57 2 93.55 1 57 A TYR 58 2 90.88 1 58 A GLU 59 2 88.29 1 59 A ASN 60 2 86.68 1 60 A GLU 61 2 86.11 1 61 A SER 62 2 88.30 1 62 A ASP 63 2 87.67 1 63 A PHE 64 2 92.20 1 64 A VAL 65 2 88.08 1 65 A LEU 66 2 85.83 1 66 A SER 67 2 88.48 1 67 A ASP 68 2 87.40 1 68 A ASN 69 2 84.06 1 69 A GLU 70 2 80.43 1 70 A GLY 71 2 86.83 1 71 A ASN 72 2 80.52 1 72 A LYS 73 2 75.65 1 73 A LEU 74 2 75.68 1 74 A GLU 75 2 53.81 1 75 A GLU 76 2 52.80 1 76 A TRP 77 2 44.01 1 77 # _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 GLY . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n ASN . 8 A 8 A 9 1 n GLU . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n THR . 11 A 11 A 12 1 n ASP . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n GLU . 17 A 17 A 18 1 n LYS . 18 A 18 A 19 1 n GLU . 19 A 19 A 20 1 n TYR . 20 A 20 A 21 1 n LYS . 21 A 21 A 22 1 n GLU . 22 A 22 A 23 1 n LEU . 23 A 23 A 24 1 n MET . 24 A 24 A 25 1 n GLU . 25 A 25 A 26 1 n ARG . 26 A 26 A 27 1 n GLU . 27 A 27 A 28 1 n ALA . 28 A 28 A 29 1 n LYS . 29 A 29 A 30 1 n ALA . 30 A 30 A 31 1 n LEU . 31 A 31 A 32 1 n TYR . 32 A 32 A 33 1 n GLU . 33 A 33 A 34 1 n GLU . 34 A 34 A 35 1 n VAL . 35 A 35 A 36 1 n GLN . 36 A 36 A 37 1 n GLU . 37 A 37 A 38 1 n GLU . 38 A 38 A 39 1 n GLU . 39 A 39 A 40 1 n LYS . 40 A 40 A 41 1 n ASP . 41 A 41 A 42 1 n PHE . 42 A 42 A 43 1 n GLU . 43 A 43 A 44 1 n SER . 44 A 44 A 45 1 n SER . 45 A 45 A 46 1 n GLU . 46 A 46 A 47 1 n LYS . 47 A 47 A 48 1 n THR . 48 A 48 A 49 1 n SER . 49 A 49 A 50 1 n PHE . 50 A 50 A 51 1 n GLU . 51 A 51 A 52 1 n GLU . 52 A 52 A 53 1 n PHE . 53 A 53 A 54 1 n LEU . 54 A 54 A 55 1 n LYS . 55 A 55 A 56 1 n THR . 56 A 56 A 57 1 n CYS . 57 A 57 A 58 1 n TYR . 58 A 58 A 59 1 n GLU . 59 A 59 A 60 1 n ASN . 60 A 60 A 61 1 n GLU . 61 A 61 A 62 1 n SER . 62 A 62 A 63 1 n ASP . 63 A 63 A 64 1 n PHE . 64 A 64 A 65 1 n VAL . 65 A 65 A 66 1 n LEU . 66 A 66 A 67 1 n SER . 67 A 67 A 68 1 n ASP . 68 A 68 A 69 1 n ASN . 69 A 69 A 70 1 n GLU . 70 A 70 A 71 1 n GLY . 71 A 71 A 72 1 n ASN . 72 A 72 A 73 1 n LYS . 73 A 73 A 74 1 n LEU . 74 A 74 A 75 1 n GLU . 75 A 75 A 76 1 n GLU . 76 A 76 A 77 1 n TRP . 77 A 77 # _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 ? -12.151 10.551 -16.641 1.00 50.61 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.994 9.978 -15.929 1.00 53.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.785 8.583 -16.482 1.00 55.14 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.752 7.824 -16.498 1.00 51.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.237 9.937 -14.413 1.00 51.81 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.023 11.319 -13.779 1.00 46.01 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.686 11.471 -12.107 1.00 43.41 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.964 13.055 -11.605 1.00 38.79 1 A 1 ATOM 9 N N . GLY A 1 2 ? -9.620 8.311 -17.050 1.00 63.21 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -9.291 6.957 -17.500 1.00 66.01 2 A 1 ATOM 11 C C . GLY A 1 2 ? -9.258 6.024 -16.295 1.00 69.94 2 A 1 ATOM 12 O O . GLY A 1 2 ? -8.864 6.446 -15.211 1.00 65.80 2 A 1 ATOM 13 N N . LYS A 1 3 ? -9.744 4.798 -16.465 1.00 76.81 3 A 1 ATOM 14 C CA . LYS A 1 3 ? -9.568 3.774 -15.436 1.00 79.66 3 A 1 ATOM 15 C C . LYS A 1 3 ? -8.113 3.327 -15.496 1.00 82.21 3 A 1 ATOM 16 O O . LYS A 1 3 ? -7.650 2.968 -16.577 1.00 78.52 3 A 1 ATOM 17 C CB . LYS A 1 3 ? -10.515 2.598 -15.666 1.00 72.63 3 A 1 ATOM 18 C CG . LYS A 1 3 ? -11.988 2.962 -15.422 1.00 63.33 3 A 1 ATOM 19 C CD . LYS A 1 3 ? -12.856 1.713 -15.624 1.00 60.24 3 A 1 ATOM 20 C CE . LYS A 1 3 ? -14.329 2.014 -15.371 1.00 53.16 3 A 1 ATOM 21 N NZ . LYS A 1 3 ? -15.144 0.788 -15.552 1.00 47.75 3 A 1 ATOM 22 N N . THR A 1 4 ? -7.446 3.362 -14.362 1.00 87.79 4 A 1 ATOM 23 C CA . THR A 1 4 ? -6.069 2.900 -14.226 1.00 88.62 4 A 1 ATOM 24 C C . THR A 1 4 ? -6.085 1.441 -13.782 1.00 91.35 4 A 1 ATOM 25 O O . THR A 1 4 ? -6.936 1.056 -12.972 1.00 89.75 4 A 1 ATOM 26 C CB . THR A 1 4 ? -5.311 3.782 -13.226 1.00 83.41 4 A 1 ATOM 27 O OG1 . THR A 1 4 ? -5.524 5.149 -13.522 1.00 73.79 4 A 1 ATOM 28 C CG2 . THR A 1 4 ? -3.815 3.557 -13.313 1.00 71.48 4 A 1 ATOM 29 N N . TYR A 1 5 ? -5.193 0.649 -14.336 1.00 92.49 5 A 1 ATOM 30 C CA . TYR A 1 5 ? -5.049 -0.770 -14.034 1.00 93.46 5 A 1 ATOM 31 C C . TYR A 1 5 ? -3.600 -1.087 -13.667 1.00 93.84 5 A 1 ATOM 32 O O . TYR A 1 5 ? -2.676 -0.381 -14.079 1.00 93.04 5 A 1 ATOM 33 C CB . TYR A 1 5 ? -5.511 -1.614 -15.230 1.00 92.77 5 A 1 ATOM 34 C CG . TYR A 1 5 ? -6.972 -1.450 -15.599 1.00 91.39 5 A 1 ATOM 35 C CD1 . TYR A 1 5 ? -7.937 -2.348 -15.103 1.00 87.84 5 A 1 ATOM 36 C CD2 . TYR A 1 5 ? -7.376 -0.401 -16.447 1.00 88.28 5 A 1 ATOM 37 C CE1 . TYR A 1 5 ? -9.291 -2.206 -15.452 1.00 85.25 5 A 1 ATOM 38 C CE2 . TYR A 1 5 ? -8.731 -0.249 -16.796 1.00 86.18 5 A 1 ATOM 39 C CZ . TYR A 1 5 ? -9.687 -1.155 -16.300 1.00 86.76 5 A 1 ATOM 40 O OH . TYR A 1 5 ? -11.002 -1.012 -16.643 1.00 84.30 5 A 1 ATOM 41 N N . TRP A 1 6 ? -3.421 -2.161 -12.920 1.00 93.94 6 A 1 ATOM 42 C CA . TRP A 1 6 ? -2.115 -2.715 -12.592 1.00 94.24 6 A 1 ATOM 43 C C . TRP A 1 6 ? -2.072 -4.167 -13.033 1.00 94.53 6 A 1 ATOM 44 O O . TRP A 1 6 ? -2.977 -4.936 -12.715 1.00 93.69 6 A 1 ATOM 45 C CB . TRP A 1 6 ? -1.832 -2.591 -11.101 1.00 93.32 6 A 1 ATOM 46 C CG . TRP A 1 6 ? -1.438 -1.208 -10.680 1.00 91.61 6 A 1 ATOM 47 C CD1 . TRP A 1 6 ? -0.188 -0.781 -10.410 1.00 87.83 6 A 1 ATOM 48 C CD2 . TRP A 1 6 ? -2.304 -0.054 -10.500 1.00 89.91 6 A 1 ATOM 49 N NE1 . TRP A 1 6 ? -0.211 0.557 -10.060 1.00 85.52 6 A 1 ATOM 50 C CE2 . TRP A 1 6 ? -1.489 1.048 -10.097 1.00 88.04 6 A 1 ATOM 51 C CE3 . TRP A 1 6 ? -3.690 0.167 -10.622 1.00 85.47 6 A 1 ATOM 52 C CZ2 . TRP A 1 6 ? -2.029 2.315 -9.827 1.00 84.98 6 A 1 ATOM 53 C CZ3 . TRP A 1 6 ? -4.233 1.436 -10.353 1.00 82.32 6 A 1 ATOM 54 C CH2 . TRP A 1 6 ? -3.407 2.492 -9.957 1.00 82.30 6 A 1 ATOM 55 N N . TYR A 1 7 ? -1.038 -4.535 -13.773 1.00 93.99 7 A 1 ATOM 56 C CA . TYR A 1 7 ? -0.842 -5.878 -14.292 1.00 94.15 7 A 1 ATOM 57 C C . TYR A 1 7 ? 0.406 -6.517 -13.685 1.00 93.86 7 A 1 ATOM 58 O O . TYR A 1 7 ? 1.469 -5.905 -13.659 1.00 93.66 7 A 1 ATOM 59 C CB . TYR A 1 7 ? -0.775 -5.822 -15.818 1.00 93.53 7 A 1 ATOM 60 C CG . TYR A 1 7 ? -0.518 -7.169 -16.461 1.00 91.77 7 A 1 ATOM 61 C CD1 . TYR A 1 7 ? 0.708 -7.430 -17.104 1.00 88.85 7 A 1 ATOM 62 C CD2 . TYR A 1 7 ? -1.498 -8.178 -16.394 1.00 89.03 7 A 1 ATOM 63 C CE1 . TYR A 1 7 ? 0.946 -8.680 -17.694 1.00 86.79 7 A 1 ATOM 64 C CE2 . TYR A 1 7 ? -1.263 -9.433 -16.975 1.00 87.04 7 A 1 ATOM 65 C CZ . TYR A 1 7 ? -0.042 -9.684 -17.631 1.00 87.04 7 A 1 ATOM 66 O OH . TYR A 1 7 ? 0.188 -10.901 -18.206 1.00 84.19 7 A 1 ATOM 67 N N . ASN A 1 8 ? 0.247 -7.749 -13.224 1.00 93.81 8 A 1 ATOM 68 C CA . ASN A 1 8 ? 1.337 -8.601 -12.772 1.00 93.62 8 A 1 ATOM 69 C C . ASN A 1 8 ? 1.567 -9.703 -13.816 1.00 92.53 8 A 1 ATOM 70 O O . ASN A 1 8 ? 0.733 -10.595 -13.987 1.00 91.59 8 A 1 ATOM 71 C CB . ASN A 1 8 ? 0.990 -9.140 -11.378 1.00 93.03 8 A 1 ATOM 72 C CG . ASN A 1 8 ? 2.081 -10.016 -10.783 1.00 92.39 8 A 1 ATOM 73 O OD1 . ASN A 1 8 ? 2.720 -10.796 -11.460 1.00 86.78 8 A 1 ATOM 74 N ND2 . ASN A 1 8 ? 2.298 -9.932 -9.494 1.00 86.03 8 A 1 ATOM 75 N N . GLU A 1 9 ? 2.691 -9.623 -14.511 1.00 91.13 9 A 1 ATOM 76 C CA . GLU A 1 9 ? 3.046 -10.586 -15.558 1.00 89.53 9 A 1 ATOM 77 C C . GLU A 1 9 ? 3.400 -11.977 -15.012 1.00 89.71 9 A 1 ATOM 78 O O . GLU A 1 9 ? 3.206 -12.976 -15.703 1.00 87.34 9 A 1 ATOM 79 C CB . GLU A 1 9 ? 4.175 -10.013 -16.440 1.00 86.88 9 A 1 ATOM 80 C CG . GLU A 1 9 ? 5.552 -9.839 -15.760 1.00 76.98 9 A 1 ATOM 81 C CD . GLU A 1 9 ? 6.529 -9.060 -16.684 1.00 73.15 9 A 1 ATOM 82 O OE1 . GLU A 1 9 ? 7.095 -8.018 -16.272 1.00 66.50 9 A 1 ATOM 83 O OE2 . GLU A 1 9 ? 6.659 -9.424 -17.875 1.00 67.67 9 A 1 ATOM 84 N N . GLY A 1 10 ? 3.873 -12.057 -13.774 1.00 91.73 10 A 1 ATOM 85 C CA . GLY A 1 10 ? 4.232 -13.323 -13.130 1.00 90.84 10 A 1 ATOM 86 C C . GLY A 1 10 ? 3.023 -14.181 -12.757 1.00 91.75 10 A 1 ATOM 87 O O . GLY A 1 10 ? 3.105 -15.410 -12.791 1.00 89.42 10 A 1 ATOM 88 N N . THR A 1 11 ? 1.902 -13.538 -12.434 1.00 92.67 11 A 1 ATOM 89 C CA . THR A 1 11 ? 0.652 -14.215 -12.048 1.00 92.33 11 A 1 ATOM 90 C C . THR A 1 11 ? -0.469 -14.067 -13.080 1.00 92.62 11 A 1 ATOM 91 O O . THR A 1 11 ? -1.569 -14.556 -12.837 1.00 90.97 11 A 1 ATOM 92 C CB . THR A 1 11 ? 0.172 -13.742 -10.668 1.00 91.89 11 A 1 ATOM 93 O OG1 . THR A 1 11 ? -0.082 -12.358 -10.666 1.00 90.06 11 A 1 ATOM 94 C CG2 . THR A 1 11 ? 1.205 -14.018 -9.573 1.00 87.58 11 A 1 ATOM 95 N N . ASP A 1 12 ? -0.201 -13.388 -14.198 1.00 92.66 12 A 1 ATOM 96 C CA . ASP A 1 12 ? -1.187 -13.035 -15.231 1.00 93.06 12 A 1 ATOM 97 C C . ASP A 1 12 ? -2.446 -12.371 -14.635 1.00 93.38 12 A 1 ATOM 98 O O . ASP A 1 12 ? -3.588 -12.702 -14.952 1.00 91.46 12 A 1 ATOM 99 C CB . ASP A 1 12 ? -1.472 -14.248 -16.135 1.00 91.88 12 A 1 ATOM 100 C CG . ASP A 1 12 ? -2.201 -13.876 -17.434 1.00 87.22 12 A 1 ATOM 101 O OD1 . ASP A 1 12 ? -1.973 -12.752 -17.943 1.00 82.03 12 A 1 ATOM 102 O OD2 . ASP A 1 12 ? -2.932 -14.750 -17.959 1.00 80.54 12 A 1 ATOM 103 N N . THR A 1 13 ? -2.238 -11.459 -13.685 1.00 94.43 13 A 1 ATOM 104 C CA . THR A 1 13 ? -3.318 -10.835 -12.916 1.00 94.70 13 A 1 ATOM 105 C C . THR A 1 13 ? -3.441 -9.364 -13.282 1.00 95.42 13 A 1 ATOM 106 O O . THR A 1 13 ? -2.489 -8.604 -13.143 1.00 94.48 13 A 1 ATOM 107 C CB . THR A 1 13 ? -3.098 -11.001 -11.407 1.00 93.23 13 A 1 ATOM 108 O OG1 . THR A 1 13 ? -3.024 -12.373 -11.082 1.00 85.03 13 A 1 ATOM 109 C CG2 . THR A 1 13 ? -4.249 -10.429 -10.584 1.00 82.98 13 A 1 ATOM 110 N N . LEU A 1 14 ? -4.632 -8.954 -13.701 1.00 94.33 14 A 1 ATOM 111 C CA . LEU A 1 14 ? -4.981 -7.557 -13.957 1.00 94.87 14 A 1 ATOM 112 C C . LEU A 1 14 ? -5.927 -7.059 -12.863 1.00 95.13 14 A 1 ATOM 113 O O . LEU A 1 14 ? -7.013 -7.606 -12.683 1.00 94.55 14 A 1 ATOM 114 C CB . LEU A 1 14 ? -5.606 -7.443 -15.357 1.00 93.90 14 A 1 ATOM 115 C CG . LEU A 1 14 ? -5.878 -5.994 -15.802 1.00 91.44 14 A 1 ATOM 116 C CD1 . LEU A 1 14 ? -4.587 -5.239 -16.110 1.00 88.62 14 A 1 ATOM 117 C CD2 . LEU A 1 14 ? -6.740 -6.002 -17.067 1.00 88.53 14 A 1 ATOM 118 N N . LEU A 1 15 ? -5.530 -6.003 -12.167 1.00 95.59 15 A 1 ATOM 119 C CA . LEU A 1 15 ? -6.304 -5.382 -11.099 1.00 95.64 15 A 1 ATOM 120 C C . LEU A 1 15 ? -6.713 -3.964 -11.489 1.00 95.64 15 A 1 ATOM 121 O O . LEU A 1 15 ? -5.944 -3.212 -12.077 1.00 95.29 15 A 1 ATOM 122 C CB . LEU A 1 15 ? -5.500 -5.381 -9.791 1.00 95.36 15 A 1 ATOM 123 C CG . LEU A 1 15 ? -5.098 -6.772 -9.265 1.00 94.08 15 A 1 ATOM 124 C CD1 . LEU A 1 15 ? -4.333 -6.610 -7.953 1.00 92.00 15 A 1 ATOM 125 C CD2 . LEU A 1 15 ? -6.304 -7.679 -9.004 1.00 92.00 15 A 1 ATOM 126 N N . THR A 1 16 ? -7.921 -3.569 -11.120 1.00 94.92 16 A 1 ATOM 127 C CA . THR A 1 16 ? -8.303 -2.154 -11.099 1.00 94.57 16 A 1 ATOM 128 C C . THR A 1 16 ? -7.524 -1.412 -10.012 1.00 94.33 16 A 1 ATOM 129 O O . THR A 1 16 ? -7.064 -2.013 -9.043 1.00 93.82 16 A 1 ATOM 130 C CB . THR A 1 16 ? -9.809 -1.978 -10.859 1.00 93.92 16 A 1 ATOM 131 O OG1 . THR A 1 16 ? -10.181 -2.503 -9.614 1.00 90.94 16 A 1 ATOM 132 C CG2 . THR A 1 16 ? -10.674 -2.642 -11.929 1.00 89.81 16 A 1 ATOM 133 N N . GLU A 1 17 ? -7.470 -0.084 -10.094 1.00 93.63 17 A 1 ATOM 134 C CA . GLU A 1 17 ? -6.853 0.751 -9.051 1.00 92.97 17 A 1 ATOM 135 C C . GLU A 1 17 ? -7.390 0.437 -7.651 1.00 93.60 17 A 1 ATOM 136 O O . GLU A 1 17 ? -6.650 0.390 -6.670 1.00 93.39 17 A 1 ATOM 137 C CB . GLU A 1 17 ? -7.122 2.231 -9.380 1.00 91.10 17 A 1 ATOM 138 C CG . GLU A 1 17 ? -6.443 3.181 -8.385 1.00 85.56 17 A 1 ATOM 139 C CD . GLU A 1 17 ? -6.625 4.674 -8.688 1.00 79.84 17 A 1 ATOM 140 O OE1 . GLU A 1 17 ? -6.175 5.478 -7.835 1.00 72.76 17 A 1 ATOM 141 O OE2 . GLU A 1 17 ? -7.244 5.031 -9.713 1.00 72.15 17 A 1 ATOM 142 N N . LYS A 1 18 ? -8.701 0.221 -7.558 1.00 93.61 18 A 1 ATOM 143 C CA . LYS A 1 18 ? -9.347 -0.097 -6.290 1.00 94.39 18 A 1 ATOM 144 C C . LYS A 1 18 ? -8.885 -1.453 -5.752 1.00 95.28 18 A 1 ATOM 145 O O . LYS A 1 18 ? -8.514 -1.531 -4.588 1.00 95.30 18 A 1 ATOM 146 C CB . LYS A 1 18 ? -10.870 -0.032 -6.472 1.00 93.79 18 A 1 ATOM 147 C CG . LYS A 1 18 ? -11.567 -0.277 -5.140 1.00 87.26 18 A 1 ATOM 148 C CD . LYS A 1 18 ? -13.094 -0.279 -5.264 1.00 83.74 18 A 1 ATOM 149 C CE . LYS A 1 18 ? -13.580 -0.803 -3.913 1.00 74.99 18 A 1 ATOM 150 N NZ . LYS A 1 18 ? -15.022 -1.069 -3.859 1.00 67.28 18 A 1 ATOM 151 N N . GLU A 1 19 ? -8.897 -2.481 -6.581 1.00 94.85 19 A 1 ATOM 152 C CA . GLU A 1 19 ? -8.484 -3.834 -6.186 1.00 95.44 19 A 1 ATOM 153 C C . GLU A 1 19 ? -7.001 -3.881 -5.827 1.00 95.82 19 A 1 ATOM 154 O O . GLU A 1 19 ? -6.638 -4.522 -4.843 1.00 95.52 19 A 1 ATOM 155 C CB . GLU A 1 19 ? -8.769 -4.806 -7.333 1.00 95.47 19 A 1 ATOM 156 C CG . GLU A 1 19 ? -10.273 -5.053 -7.527 1.00 93.16 19 A 1 ATOM 157 C CD . GLU A 1 19 ? -10.605 -5.626 -8.909 1.00 91.75 19 A 1 ATOM 158 O OE1 . GLU A 1 19 ? -11.533 -6.452 -8.993 1.00 85.84 19 A 1 ATOM 159 O OE2 . GLU A 1 19 ? -10.007 -5.135 -9.896 1.00 87.22 19 A 1 ATOM 160 N N . TYR A 1 20 ? -6.166 -3.161 -6.568 1.00 95.38 20 A 1 ATOM 161 C CA . TYR A 1 20 ? -4.748 -3.035 -6.259 1.00 95.30 20 A 1 ATOM 162 C C . TYR A 1 20 ? -4.516 -2.383 -4.895 1.00 95.48 20 A 1 ATOM 163 O O . TYR A 1 20 ? -3.800 -2.930 -4.060 1.00 95.50 20 A 1 ATOM 164 C CB . TYR A 1 20 ? -4.062 -2.242 -7.371 1.00 94.69 20 A 1 ATOM 165 C CG . TYR A 1 20 ? -2.593 -1.999 -7.096 1.00 94.42 20 A 1 ATOM 166 C CD1 . TYR A 1 20 ? -2.114 -0.697 -6.838 1.00 92.34 20 A 1 ATOM 167 C CD2 . TYR A 1 20 ? -1.703 -3.089 -7.064 1.00 92.27 20 A 1 ATOM 168 C CE1 . TYR A 1 20 ? -0.751 -0.485 -6.572 1.00 91.25 20 A 1 ATOM 169 C CE2 . TYR A 1 20 ? -0.340 -2.882 -6.794 1.00 91.23 20 A 1 ATOM 170 C CZ . TYR A 1 20 ? 0.136 -1.579 -6.553 1.00 91.76 20 A 1 ATOM 171 O OH . TYR A 1 20 ? 1.462 -1.379 -6.310 1.00 90.15 20 A 1 ATOM 172 N N . LYS A 1 21 ? -5.178 -1.265 -4.613 1.00 95.10 21 A 1 ATOM 173 C CA . LYS A 1 21 ? -5.085 -0.602 -3.305 1.00 95.14 21 A 1 ATOM 174 C C . LYS A 1 21 ? -5.572 -1.497 -2.168 1.00 95.78 21 A 1 ATOM 175 O O . LYS A 1 21 ? -4.918 -1.566 -1.131 1.00 95.81 21 A 1 ATOM 176 C CB . LYS A 1 21 ? -5.859 0.719 -3.325 1.00 94.12 21 A 1 ATOM 177 C CG . LYS A 1 21 ? -5.092 1.786 -4.115 1.00 87.31 21 A 1 ATOM 178 C CD . LYS A 1 21 ? -5.899 3.085 -4.224 1.00 84.43 21 A 1 ATOM 179 C CE . LYS A 1 21 ? -5.042 4.095 -4.991 1.00 76.94 21 A 1 ATOM 180 N NZ . LYS A 1 21 ? -5.786 5.327 -5.337 1.00 70.22 21 A 1 ATOM 181 N N . GLU A 1 22 ? -6.683 -2.195 -2.354 1.00 95.79 22 A 1 ATOM 182 C CA . GLU A 1 22 ? -7.213 -3.131 -1.357 1.00 96.41 22 A 1 ATOM 183 C C . GLU A 1 22 ? -6.261 -4.313 -1.109 1.00 96.47 22 A 1 ATOM 184 O O . GLU A 1 22 ? -6.113 -4.742 0.037 1.00 95.97 22 A 1 ATOM 185 C CB . GLU A 1 22 ? -8.598 -3.644 -1.799 1.00 96.68 22 A 1 ATOM 186 C CG . GLU A 1 22 ? -9.703 -2.580 -1.642 1.00 91.72 22 A 1 ATOM 187 C CD . GLU A 1 22 ? -11.092 -3.026 -2.153 1.00 88.99 22 A 1 ATOM 188 O OE1 . GLU A 1 22 ? -12.070 -2.260 -1.946 1.00 85.86 22 A 1 ATOM 189 O OE2 . GLU A 1 22 ? -11.222 -4.091 -2.793 1.00 86.48 22 A 1 ATOM 190 N N . LEU A 1 23 ? -5.616 -4.817 -2.155 1.00 96.33 23 A 1 ATOM 191 C CA . LEU A 1 23 ? -4.594 -5.855 -2.035 1.00 96.03 23 A 1 ATOM 192 C C . LEU A 1 23 ? -3.397 -5.350 -1.226 1.00 96.09 23 A 1 ATOM 193 O O . LEU A 1 23 ? -3.081 -5.946 -0.194 1.00 95.89 23 A 1 ATOM 194 C CB . LEU A 1 23 ? -4.184 -6.322 -3.444 1.00 95.57 23 A 1 ATOM 195 C CG . LEU A 1 23 ? -3.045 -7.359 -3.462 1.00 93.20 23 A 1 ATOM 196 C CD1 . LEU A 1 23 ? -3.464 -8.670 -2.794 1.00 90.19 23 A 1 ATOM 197 C CD2 . LEU A 1 23 ? -2.650 -7.665 -4.904 1.00 89.62 23 A 1 ATOM 198 N N . MET A 1 24 ? -2.818 -4.228 -1.629 1.00 95.75 24 A 1 ATOM 199 C CA . MET A 1 24 ? -1.656 -3.630 -0.968 1.00 95.53 24 A 1 ATOM 200 C C . MET A 1 24 ? -1.942 -3.301 0.497 1.00 95.93 24 A 1 ATOM 201 O O . MET A 1 24 ? -1.146 -3.620 1.374 1.00 96.00 24 A 1 ATOM 202 C CB . MET A 1 24 ? -1.229 -2.357 -1.713 1.00 94.90 24 A 1 ATOM 203 C CG . MET A 1 24 ? -0.630 -2.642 -3.091 1.00 90.32 24 A 1 ATOM 204 S SD . MET A 1 24 ? 0.806 -3.745 -3.110 1.00 88.42 24 A 1 ATOM 205 C CE . MET A 1 24 ? 2.020 -2.771 -2.189 1.00 79.07 24 A 1 ATOM 206 N N . GLU A 1 25 ? -3.093 -2.717 0.803 1.00 96.26 25 A 1 ATOM 207 C CA . GLU A 1 25 ? -3.477 -2.439 2.190 1.00 96.74 25 A 1 ATOM 208 C C . GLU A 1 25 ? -3.645 -3.713 3.019 1.00 96.84 25 A 1 ATOM 209 O O . GLU A 1 25 ? -3.312 -3.720 4.204 1.00 96.50 25 A 1 ATOM 210 C CB . GLU A 1 25 ? -4.803 -1.678 2.250 1.00 96.57 25 A 1 ATOM 211 C CG . GLU A 1 25 ? -4.681 -0.178 1.971 1.00 87.09 25 A 1 ATOM 212 C CD . GLU A 1 25 ? -6.005 0.559 2.216 1.00 84.08 25 A 1 ATOM 213 O OE1 . GLU A 1 25 ? -6.189 1.648 1.629 1.00 77.28 25 A 1 ATOM 214 O OE2 . GLU A 1 25 ? -6.823 0.055 3.035 1.00 79.40 25 A 1 ATOM 215 N N . ARG A 1 26 ? -4.216 -4.764 2.445 1.00 97.38 26 A 1 ATOM 216 C CA . ARG A 1 26 ? -4.413 -6.034 3.151 1.00 97.42 26 A 1 ATOM 217 C C . ARG A 1 26 ? -3.076 -6.697 3.467 1.00 97.39 26 A 1 ATOM 218 O O . ARG A 1 26 ? -2.889 -7.146 4.593 1.00 96.84 26 A 1 ATOM 219 C CB . ARG A 1 26 ? -5.318 -6.941 2.307 1.00 96.95 26 A 1 ATOM 220 C CG . ARG A 1 26 ? -5.617 -8.269 3.012 1.00 92.11 26 A 1 ATOM 221 C CD . ARG A 1 26 ? -6.480 -9.171 2.126 1.00 88.42 26 A 1 ATOM 222 N NE . ARG A 1 26 ? -5.748 -9.599 0.918 1.00 78.71 26 A 1 ATOM 223 C CZ . ARG A 1 26 ? -6.228 -9.765 -0.302 1.00 72.86 26 A 1 ATOM 224 N NH1 . ARG A 1 26 ? -7.490 -9.589 -0.577 1.00 65.97 26 A 1 ATOM 225 N NH2 . ARG A 1 26 ? -5.429 -10.102 -1.273 1.00 62.63 26 A 1 ATOM 226 N N . GLU A 1 27 ? -2.180 -6.736 2.505 1.00 96.34 27 A 1 ATOM 227 C CA . GLU A 1 27 ? -0.846 -7.321 2.678 1.00 95.40 27 A 1 ATOM 228 C C . GLU A 1 27 ? 0.008 -6.482 3.631 1.00 96.12 27 A 1 ATOM 229 O O . GLU A 1 27 ? 0.587 -7.022 4.576 1.00 95.56 27 A 1 ATOM 230 C CB . GLU A 1 27 ? -0.177 -7.496 1.311 1.00 94.21 27 A 1 ATOM 231 C CG . GLU A 1 27 ? -0.901 -8.603 0.528 1.00 87.16 27 A 1 ATOM 232 C CD . GLU A 1 27 ? -0.316 -8.885 -0.862 1.00 80.42 27 A 1 ATOM 233 O OE1 . GLU A 1 27 ? -0.832 -9.858 -1.469 1.00 72.56 27 A 1 ATOM 234 O OE2 . GLU A 1 27 ? 0.575 -8.141 -1.304 1.00 72.82 27 A 1 ATOM 235 N N . ALA A 1 28 ? -0.019 -5.162 3.482 1.00 95.88 28 A 1 ATOM 236 C CA . ALA A 1 28 ? 0.659 -4.257 4.396 1.00 96.59 28 A 1 ATOM 237 C C . ALA A 1 28 ? 0.138 -4.388 5.831 1.00 97.08 28 A 1 ATOM 238 O O . ALA A 1 28 ? 0.938 -4.362 6.757 1.00 97.01 28 A 1 ATOM 239 C CB . ALA A 1 28 ? 0.519 -2.820 3.888 1.00 96.25 28 A 1 ATOM 240 N N . LYS A 1 29 ? -1.165 -4.560 6.051 1.00 97.56 29 A 1 ATOM 241 C CA . LYS A 1 29 ? -1.709 -4.784 7.403 1.00 97.70 29 A 1 ATOM 242 C C . LYS A 1 29 ? -1.174 -6.065 8.030 1.00 97.62 29 A 1 ATOM 243 O O . LYS A 1 29 ? -0.783 -6.024 9.192 1.00 97.17 29 A 1 ATOM 244 C CB . LYS A 1 29 ? -3.243 -4.797 7.384 1.00 97.44 29 A 1 ATOM 245 C CG . LYS A 1 29 ? -3.801 -3.370 7.341 1.00 89.25 29 A 1 ATOM 246 C CD . LYS A 1 29 ? -5.298 -3.357 7.013 1.00 85.32 29 A 1 ATOM 247 C CE . LYS A 1 29 ? -5.716 -1.898 6.803 1.00 76.55 29 A 1 ATOM 248 N NZ . LYS A 1 29 ? -6.972 -1.762 6.023 1.00 68.38 29 A 1 ATOM 249 N N . ALA A 1 30 ? -1.134 -7.152 7.276 1.00 97.60 30 A 1 ATOM 250 C CA . ALA A 1 30 ? -0.617 -8.421 7.781 1.00 97.09 30 A 1 ATOM 251 C C . ALA A 1 30 ? 0.869 -8.319 8.173 1.00 97.05 30 A 1 ATOM 252 O O . ALA A 1 30 ? 1.252 -8.740 9.260 1.00 95.87 30 A 1 ATOM 253 C CB . ALA A 1 30 ? -0.858 -9.500 6.719 1.00 96.56 30 A 1 ATOM 254 N N . LEU A 1 31 ? 1.675 -7.685 7.338 1.00 96.68 31 A 1 ATOM 255 C CA . LEU A 1 31 ? 3.095 -7.462 7.633 1.00 96.20 31 A 1 ATOM 256 C C . LEU A 1 31 ? 3.305 -6.436 8.754 1.00 96.53 31 A 1 ATOM 257 O O . LEU A 1 31 ? 4.220 -6.563 9.563 1.00 95.98 31 A 1 ATOM 258 C CB . LEU A 1 31 ? 3.796 -6.997 6.349 1.00 95.41 31 A 1 ATOM 259 C CG . LEU A 1 31 ? 3.837 -8.035 5.213 1.00 89.82 31 A 1 ATOM 260 C CD1 . LEU A 1 31 ? 4.409 -7.378 3.953 1.00 86.59 31 A 1 ATOM 261 C CD2 . LEU A 1 31 ? 4.703 -9.239 5.568 1.00 87.03 31 A 1 ATOM 262 N N . TYR A 1 32 ? 2.449 -5.419 8.839 1.00 96.78 32 A 1 ATOM 263 C CA . TYR A 1 32 ? 2.542 -4.394 9.872 1.00 96.72 32 A 1 ATOM 264 C C . TYR A 1 32 ? 2.282 -4.953 11.271 1.00 96.37 32 A 1 ATOM 265 O O . TYR A 1 32 ? 2.892 -4.481 12.226 1.00 96.03 32 A 1 ATOM 266 C CB . TYR A 1 32 ? 1.584 -3.250 9.562 1.00 96.47 32 A 1 ATOM 267 C CG . TYR A 1 32 ? 1.685 -2.094 10.531 1.00 96.46 32 A 1 ATOM 268 C CD1 . TYR A 1 32 ? 0.628 -1.804 11.411 1.00 94.72 32 A 1 ATOM 269 C CD2 . TYR A 1 32 ? 2.849 -1.302 10.548 1.00 95.20 32 A 1 ATOM 270 C CE1 . TYR A 1 32 ? 0.721 -0.713 12.291 1.00 94.14 32 A 1 ATOM 271 C CE2 . TYR A 1 32 ? 2.949 -0.214 11.428 1.00 94.35 32 A 1 ATOM 272 C CZ . TYR A 1 32 ? 1.883 0.087 12.295 1.00 94.70 32 A 1 ATOM 273 O OH . TYR A 1 32 ? 1.970 1.154 13.141 1.00 92.85 32 A 1 ATOM 274 N N . GLU A 1 33 ? 1.432 -5.962 11.417 1.00 96.99 33 A 1 ATOM 275 C CA . GLU A 1 33 ? 1.250 -6.651 12.699 1.00 96.57 33 A 1 ATOM 276 C C . GLU A 1 33 ? 2.560 -7.291 13.190 1.00 96.30 33 A 1 ATOM 277 O O . GLU A 1 33 ? 2.873 -7.194 14.377 1.00 95.30 33 A 1 ATOM 278 C CB . GLU A 1 33 ? 0.133 -7.703 12.588 1.00 96.39 33 A 1 ATOM 279 C CG . GLU A 1 33 ? -1.264 -7.058 12.512 1.00 89.55 33 A 1 ATOM 280 C CD . GLU A 1 33 ? -2.423 -8.062 12.333 1.00 84.74 33 A 1 ATOM 281 O OE1 . GLU A 1 33 ? -3.569 -7.583 12.140 1.00 80.01 33 A 1 ATOM 282 O OE2 . GLU A 1 33 ? -2.198 -9.292 12.418 1.00 81.03 33 A 1 ATOM 283 N N . GLU A 1 34 ? 3.338 -7.863 12.288 1.00 96.63 34 A 1 ATOM 284 C CA . GLU A 1 34 ? 4.663 -8.416 12.610 1.00 95.99 34 A 1 ATOM 285 C C . GLU A 1 34 ? 5.643 -7.307 13.021 1.00 95.97 34 A 1 ATOM 286 O O . GLU A 1 34 ? 6.281 -7.410 14.071 1.00 94.50 34 A 1 ATOM 287 C CB . GLU A 1 34 ? 5.214 -9.234 11.430 1.00 95.59 34 A 1 ATOM 288 C CG . GLU A 1 34 ? 4.316 -10.431 11.059 1.00 88.60 34 A 1 ATOM 289 C CD . GLU A 1 34 ? 4.845 -11.282 9.887 1.00 82.61 34 A 1 ATOM 290 O OE1 . GLU A 1 34 ? 4.140 -12.250 9.518 1.00 74.21 34 A 1 ATOM 291 O OE2 . GLU A 1 34 ? 5.944 -10.993 9.361 1.00 75.69 34 A 1 ATOM 292 N N . VAL A 1 35 ? 5.678 -6.211 12.280 1.00 95.77 35 A 1 ATOM 293 C CA . VAL A 1 35 ? 6.502 -5.031 12.611 1.00 94.83 35 A 1 ATOM 294 C C . VAL A 1 35 ? 6.140 -4.470 13.990 1.00 94.69 35 A 1 ATOM 295 O O . VAL A 1 35 ? 7.018 -4.160 14.789 1.00 94.09 35 A 1 ATOM 296 C CB . VAL A 1 35 ? 6.355 -3.946 11.527 1.00 94.23 35 A 1 ATOM 297 C CG1 . VAL A 1 35 ? 7.080 -2.641 11.879 1.00 91.58 35 A 1 ATOM 298 C CG2 . VAL A 1 35 ? 6.918 -4.430 10.185 1.00 92.06 35 A 1 ATOM 299 N N . GLN A 1 36 ? 4.856 -4.360 14.312 1.00 95.33 36 A 1 ATOM 300 C CA . GLN A 1 36 ? 4.425 -3.869 15.623 1.00 94.44 36 A 1 ATOM 301 C C . GLN A 1 36 ? 4.844 -4.794 16.770 1.00 94.08 36 A 1 ATOM 302 O O . GLN A 1 36 ? 5.136 -4.304 17.862 1.00 93.04 36 A 1 ATOM 303 C CB . GLN A 1 36 ? 2.908 -3.666 15.649 1.00 93.73 36 A 1 ATOM 304 C CG . GLN A 1 36 ? 2.433 -2.448 14.846 1.00 88.72 36 A 1 ATOM 305 C CD . GLN A 1 36 ? 3.045 -1.136 15.346 1.00 84.17 36 A 1 ATOM 306 O OE1 . GLN A 1 36 ? 2.607 -0.556 16.321 1.00 75.80 36 A 1 ATOM 307 N NE2 . GLN A 1 36 ? 4.080 -0.638 14.707 1.00 73.47 36 A 1 ATOM 308 N N . GLU A 1 37 ? 4.872 -6.093 16.547 1.00 95.16 37 A 1 ATOM 309 C CA . GLU A 1 37 ? 5.351 -7.054 17.545 1.00 94.87 37 A 1 ATOM 310 C C . GLU A 1 37 ? 6.873 -6.961 17.731 1.00 94.73 37 A 1 ATOM 311 O O . GLU A 1 37 ? 7.350 -7.014 18.868 1.00 93.22 37 A 1 ATOM 312 C CB . GLU A 1 37 ? 4.896 -8.470 17.152 1.00 94.42 37 A 1 ATOM 313 C CG . GLU A 1 37 ? 5.278 -9.563 18.164 1.00 83.46 37 A 1 ATOM 314 C CD . GLU A 1 37 ? 4.709 -9.379 19.588 1.00 80.13 37 A 1 ATOM 315 O OE1 . GLU A 1 37 ? 5.323 -9.928 20.544 1.00 74.25 37 A 1 ATOM 316 O OE2 . GLU A 1 37 ? 3.673 -8.703 19.774 1.00 74.04 37 A 1 ATOM 317 N N . GLU A 1 38 ? 7.624 -6.748 16.662 1.00 95.40 38 A 1 ATOM 318 C CA . GLU A 1 38 ? 9.073 -6.517 16.720 1.00 94.88 38 A 1 ATOM 319 C C . GLU A 1 38 ? 9.419 -5.191 17.416 1.00 95.03 38 A 1 ATOM 320 O O . GLU A 1 38 ? 10.340 -5.125 18.232 1.00 93.22 38 A 1 ATOM 321 C CB . GLU A 1 38 ? 9.664 -6.538 15.305 1.00 94.18 38 A 1 ATOM 322 C CG . GLU A 1 38 ? 9.634 -7.942 14.675 1.00 87.28 38 A 1 ATOM 323 C CD . GLU A 1 38 ? 10.288 -8.009 13.283 1.00 82.59 38 A 1 ATOM 324 O OE1 . GLU A 1 38 ? 10.457 -9.153 12.794 1.00 75.04 38 A 1 ATOM 325 O OE2 . GLU A 1 38 ? 10.686 -6.950 12.741 1.00 75.13 38 A 1 ATOM 326 N N . GLU A 1 39 ? 8.627 -4.149 17.164 1.00 94.40 39 A 1 ATOM 327 C CA . GLU A 1 39 ? 8.824 -2.802 17.712 1.00 94.04 39 A 1 ATOM 328 C C . GLU A 1 39 ? 8.105 -2.575 19.057 1.00 93.79 39 A 1 ATOM 329 O O . GLU A 1 39 ? 8.016 -1.442 19.543 1.00 92.28 39 A 1 ATOM 330 C CB . GLU A 1 39 ? 8.384 -1.761 16.681 1.00 92.98 39 A 1 ATOM 331 C CG . GLU A 1 39 ? 9.223 -1.740 15.386 1.00 91.69 39 A 1 ATOM 332 C CD . GLU A 1 39 ? 8.773 -0.623 14.425 1.00 92.00 39 A 1 ATOM 333 O OE1 . GLU A 1 39 ? 9.467 -0.361 13.426 1.00 85.95 39 A 1 ATOM 334 O OE2 . GLU A 1 39 ? 7.715 0.015 14.682 1.00 87.83 39 A 1 ATOM 335 N N . LYS A 1 40 ? 7.556 -3.612 19.692 1.00 94.21 40 A 1 ATOM 336 C CA . LYS A 1 40 ? 6.720 -3.444 20.899 1.00 93.59 40 A 1 ATOM 337 C C . LYS A 1 40 ? 7.436 -2.755 22.060 1.00 93.72 40 A 1 ATOM 338 O O . LYS A 1 40 ? 6.795 -2.025 22.816 1.00 91.47 40 A 1 ATOM 339 C CB . LYS A 1 40 ? 6.145 -4.798 21.328 1.00 91.94 40 A 1 ATOM 340 C CG . LYS A 1 40 ? 7.217 -5.734 21.910 1.00 85.51 40 A 1 ATOM 341 C CD . LYS A 1 40 ? 6.605 -7.109 22.122 1.00 83.11 40 A 1 ATOM 342 C CE . LYS A 1 40 ? 7.694 -8.093 22.509 1.00 76.04 40 A 1 ATOM 343 N NZ . LYS A 1 40 ? 7.155 -9.462 22.432 1.00 68.59 40 A 1 ATOM 344 N N . ASP A 1 41 ? 8.738 -2.968 22.166 1.00 93.93 41 A 1 ATOM 345 C CA . ASP A 1 41 ? 9.595 -2.422 23.225 1.00 93.96 41 A 1 ATOM 346 C C . ASP A 1 41 ? 10.232 -1.072 22.840 1.00 94.26 41 A 1 ATOM 347 O O . ASP A 1 41 ? 10.953 -0.477 23.640 1.00 91.44 41 A 1 ATOM 348 C CB . ASP A 1 41 ? 10.648 -3.476 23.617 1.00 92.33 41 A 1 ATOM 349 C CG . ASP A 1 41 ? 10.049 -4.765 24.210 1.00 87.46 41 A 1 ATOM 350 O OD1 . ASP A 1 41 ? 9.153 -4.664 25.081 1.00 82.14 41 A 1 ATOM 351 O OD2 . ASP A 1 41 ? 10.499 -5.870 23.829 1.00 81.63 41 A 1 ATOM 352 N N . PHE A 1 42 ? 9.958 -0.562 21.637 1.00 93.53 42 A 1 ATOM 353 C CA . PHE A 1 42 ? 10.470 0.723 21.173 1.00 94.04 42 A 1 ATOM 354 C C . PHE A 1 42 ? 9.663 1.888 21.755 1.00 94.04 42 A 1 ATOM 355 O O . PHE A 1 42 ? 8.463 1.780 22.043 1.00 91.21 42 A 1 ATOM 356 C CB . PHE A 1 42 ? 10.495 0.787 19.639 1.00 92.94 42 A 1 ATOM 357 C CG . PHE A 1 42 ? 11.513 -0.092 18.916 1.00 91.63 42 A 1 ATOM 358 C CD1 . PHE A 1 42 ? 12.206 -1.134 19.559 1.00 87.37 42 A 1 ATOM 359 C CD2 . PHE A 1 42 ? 11.771 0.158 17.552 1.00 87.31 42 A 1 ATOM 360 C CE1 . PHE A 1 42 ? 13.138 -1.921 18.860 1.00 85.02 42 A 1 ATOM 361 C CE2 . PHE A 1 42 ? 12.702 -0.626 16.849 1.00 86.51 42 A 1 ATOM 362 C CZ . PHE A 1 42 ? 13.384 -1.668 17.502 1.00 85.15 42 A 1 ATOM 363 N N . GLU A 1 43 ? 10.318 3.039 21.884 1.00 93.28 43 A 1 ATOM 364 C CA . GLU A 1 43 ? 9.635 4.287 22.217 1.00 92.74 43 A 1 ATOM 365 C C . GLU A 1 43 ? 8.644 4.668 21.109 1.00 92.37 43 A 1 ATOM 366 O O . GLU A 1 43 ? 8.861 4.413 19.927 1.00 90.01 43 A 1 ATOM 367 C CB . GLU A 1 43 ? 10.658 5.410 22.453 1.00 91.42 43 A 1 ATOM 368 C CG . GLU A 1 43 ? 11.467 5.230 23.755 1.00 82.10 43 A 1 ATOM 369 C CD . GLU A 1 43 ? 10.598 5.277 25.028 1.00 77.13 43 A 1 ATOM 370 O OE1 . GLU A 1 43 ? 11.006 4.688 26.054 1.00 70.20 43 A 1 ATOM 371 O OE2 . GLU A 1 43 ? 9.522 5.931 24.992 1.00 70.59 43 A 1 ATOM 372 N N . SER A 1 44 ? 7.545 5.330 21.492 1.00 91.12 44 A 1 ATOM 373 C CA . SER A 1 44 ? 6.480 5.657 20.531 1.00 89.63 44 A 1 ATOM 374 C C . SER A 1 44 ? 6.955 6.487 19.330 1.00 90.15 44 A 1 ATOM 375 O O . SER A 1 44 ? 6.331 6.423 18.276 1.00 87.95 44 A 1 ATOM 376 C CB . SER A 1 44 ? 5.358 6.408 21.247 1.00 86.89 44 A 1 ATOM 377 O OG . SER A 1 44 ? 4.275 6.641 20.361 1.00 76.28 44 A 1 ATOM 378 N N . SER A 1 45 ? 7.989 7.285 19.501 1.00 90.02 45 A 1 ATOM 379 C CA . SER A 1 45 ? 8.588 8.093 18.436 1.00 89.56 45 A 1 ATOM 380 C C . SER A 1 45 ? 9.485 7.297 17.484 1.00 90.27 45 A 1 ATOM 381 O O . SER A 1 45 ? 9.818 7.808 16.420 1.00 87.83 45 A 1 ATOM 382 C CB . SER A 1 45 ? 9.413 9.223 19.058 1.00 88.40 45 A 1 ATOM 383 O OG . SER A 1 45 ? 10.333 8.726 20.013 1.00 81.17 45 A 1 ATOM 384 N N . GLU A 1 46 ? 9.884 6.100 17.880 1.00 92.47 46 A 1 ATOM 385 C CA . GLU A 1 46 ? 10.754 5.209 17.100 1.00 92.88 46 A 1 ATOM 386 C C . GLU A 1 46 ? 9.949 4.145 16.340 1.00 93.94 46 A 1 ATOM 387 O O . GLU A 1 46 ? 10.485 3.493 15.450 1.00 92.32 46 A 1 ATOM 388 C CB . GLU A 1 46 ? 11.776 4.542 18.034 1.00 91.35 46 A 1 ATOM 389 C CG . GLU A 1 46 ? 12.677 5.561 18.749 1.00 84.05 46 A 1 ATOM 390 C CD . GLU A 1 46 ? 13.674 4.897 19.709 1.00 78.55 46 A 1 ATOM 391 O OE1 . GLU A 1 46 ? 14.878 5.222 19.609 1.00 70.48 46 A 1 ATOM 392 O OE2 . GLU A 1 46 ? 13.225 4.111 20.575 1.00 71.48 46 A 1 ATOM 393 N N . LYS A 1 47 ? 8.666 3.993 16.678 1.00 92.59 47 A 1 ATOM 394 C CA . LYS A 1 47 ? 7.771 3.046 16.015 1.00 93.18 47 A 1 ATOM 395 C C . LYS A 1 47 ? 7.393 3.521 14.623 1.00 93.08 47 A 1 ATOM 396 O O . LYS A 1 47 ? 7.005 4.675 14.431 1.00 92.16 47 A 1 ATOM 397 C CB . LYS A 1 47 ? 6.509 2.786 16.848 1.00 91.91 47 A 1 ATOM 398 C CG . LYS A 1 47 ? 6.878 2.083 18.152 1.00 91.20 47 A 1 ATOM 399 C CD . LYS A 1 47 ? 5.648 1.621 18.929 1.00 88.94 47 A 1 ATOM 400 C CE . LYS A 1 47 ? 6.188 0.922 20.165 1.00 85.24 47 A 1 ATOM 401 N NZ . LYS A 1 47 ? 5.205 0.027 20.809 1.00 77.91 47 A 1 ATOM 402 N N . THR A 1 48 ? 7.408 2.590 13.691 1.00 94.13 48 A 1 ATOM 403 C CA . THR A 1 48 ? 6.914 2.808 12.336 1.00 94.22 48 A 1 ATOM 404 C C . THR A 1 48 ? 5.396 2.991 12.364 1.00 95.16 48 A 1 ATOM 405 O O . THR A 1 48 ? 4.654 2.177 12.912 1.00 94.54 48 A 1 ATOM 406 C CB . THR A 1 48 ? 7.310 1.633 11.437 1.00 92.72 48 A 1 ATOM 407 O OG1 . THR A 1 48 ? 8.700 1.426 11.498 1.00 87.33 48 A 1 ATOM 408 C CG2 . THR A 1 48 ? 6.975 1.891 9.970 1.00 86.92 48 A 1 ATOM 409 N N . SER A 1 49 ? 4.895 4.070 11.773 1.00 94.79 49 A 1 ATOM 410 C CA . SER A 1 49 ? 3.457 4.250 11.578 1.00 95.04 49 A 1 ATOM 411 C C . SER A 1 49 ? 2.956 3.387 10.417 1.00 96.09 49 A 1 ATOM 412 O O . SER A 1 49 ? 3.683 3.107 9.465 1.00 96.13 49 A 1 ATOM 413 C CB . SER A 1 49 ? 3.107 5.729 11.377 1.00 93.43 49 A 1 ATOM 414 O OG . SER A 1 49 ? 3.543 6.186 10.117 1.00 89.78 49 A 1 ATOM 415 N N . PHE A 1 50 ? 1.677 2.995 10.469 1.00 93.63 50 A 1 ATOM 416 C CA . PHE A 1 50 ? 1.086 2.224 9.368 1.00 95.51 50 A 1 ATOM 417 C C . PHE A 1 50 ? 1.118 2.988 8.039 1.00 96.68 50 A 1 ATOM 418 O O . PHE A 1 50 ? 1.313 2.387 6.990 1.00 97.05 50 A 1 ATOM 419 C CB . PHE A 1 50 ? -0.348 1.821 9.715 1.00 95.55 50 A 1 ATOM 420 C CG . PHE A 1 50 ? -1.016 1.024 8.607 1.00 96.18 50 A 1 ATOM 421 C CD1 . PHE A 1 50 ? -2.070 1.580 7.856 1.00 95.35 50 A 1 ATOM 422 C CD2 . PHE A 1 50 ? -0.517 -0.245 8.265 1.00 95.61 50 A 1 ATOM 423 C CE1 . PHE A 1 50 ? -2.618 0.874 6.772 1.00 94.71 50 A 1 ATOM 424 C CE2 . PHE A 1 50 ? -1.058 -0.949 7.176 1.00 94.64 50 A 1 ATOM 425 C CZ . PHE A 1 50 ? -2.105 -0.389 6.428 1.00 95.11 50 A 1 ATOM 426 N N . GLU A 1 51 ? 0.947 4.299 8.076 1.00 96.22 51 A 1 ATOM 427 C CA . GLU A 1 51 ? 0.982 5.136 6.875 1.00 96.25 51 A 1 ATOM 428 C C . GLU A 1 51 ? 2.371 5.130 6.216 1.00 96.61 51 A 1 ATOM 429 O O . GLU A 1 51 ? 2.480 4.948 5.006 1.00 96.55 51 A 1 ATOM 430 C CB . GLU A 1 51 ? 0.538 6.557 7.255 1.00 95.86 51 A 1 ATOM 431 C CG . GLU A 1 51 ? 0.407 7.475 6.030 1.00 82.25 51 A 1 ATOM 432 C CD . GLU A 1 51 ? -0.136 8.878 6.368 1.00 74.22 51 A 1 ATOM 433 O OE1 . GLU A 1 51 ? -0.264 9.684 5.418 1.00 67.92 51 A 1 ATOM 434 O OE2 . GLU A 1 51 ? -0.456 9.141 7.549 1.00 67.81 51 A 1 ATOM 435 N N . GLU A 1 52 ? 3.422 5.263 7.013 1.00 96.19 52 A 1 ATOM 436 C CA . GLU A 1 52 ? 4.805 5.182 6.524 1.00 95.69 52 A 1 ATOM 437 C C . GLU A 1 52 ? 5.141 3.778 6.015 1.00 96.37 52 A 1 ATOM 438 O O . GLU A 1 52 ? 5.755 3.633 4.956 1.00 95.80 52 A 1 ATOM 439 C CB . GLU A 1 52 ? 5.776 5.562 7.648 1.00 94.41 52 A 1 ATOM 440 C CG . GLU A 1 52 ? 5.747 7.066 7.952 1.00 81.10 52 A 1 ATOM 441 C CD . GLU A 1 52 ? 6.420 7.404 9.290 1.00 74.27 52 A 1 ATOM 442 O OE1 . GLU A 1 52 ? 7.105 8.442 9.346 1.00 66.67 52 A 1 ATOM 443 O OE2 . GLU A 1 52 ? 6.163 6.654 10.266 1.00 67.10 52 A 1 ATOM 444 N N . PHE A 1 53 ? 4.690 2.755 6.731 1.00 94.86 53 A 1 ATOM 445 C CA . PHE A 1 53 ? 4.883 1.370 6.326 1.00 95.54 53 A 1 ATOM 446 C C . PHE A 1 53 ? 4.178 1.065 5.000 1.00 96.15 53 A 1 ATOM 447 O O . PHE A 1 53 ? 4.805 0.569 4.069 1.00 96.27 53 A 1 ATOM 448 C CB . PHE A 1 53 ? 4.401 0.450 7.449 1.00 95.65 53 A 1 ATOM 449 C CG . PHE A 1 53 ? 4.686 -1.002 7.142 1.00 96.00 53 A 1 ATOM 450 C CD1 . PHE A 1 53 ? 3.671 -1.841 6.652 1.00 94.74 53 A 1 ATOM 451 C CD2 . PHE A 1 53 ? 5.996 -1.498 7.282 1.00 95.32 53 A 1 ATOM 452 C CE1 . PHE A 1 53 ? 3.966 -3.168 6.302 1.00 93.98 53 A 1 ATOM 453 C CE2 . PHE A 1 53 ? 6.294 -2.823 6.929 1.00 94.32 53 A 1 ATOM 454 C CZ . PHE A 1 53 ? 5.279 -3.657 6.437 1.00 94.22 53 A 1 ATOM 455 N N . LEU A 1 54 ? 2.910 1.439 4.870 1.00 96.16 54 A 1 ATOM 456 C CA . LEU A 1 54 ? 2.132 1.264 3.645 1.00 96.27 54 A 1 ATOM 457 C C . LEU A 1 54 ? 2.768 2.002 2.462 1.00 96.01 54 A 1 ATOM 458 O O . LEU A 1 54 ? 2.852 1.456 1.365 1.00 96.10 54 A 1 ATOM 459 C CB . LEU A 1 54 ? 0.693 1.743 3.907 1.00 96.37 54 A 1 ATOM 460 C CG . LEU A 1 54 ? -0.235 1.649 2.682 1.00 94.94 54 A 1 ATOM 461 C CD1 . LEU A 1 54 ? -0.399 0.215 2.190 1.00 93.20 54 A 1 ATOM 462 C CD2 . LEU A 1 54 ? -1.618 2.196 3.040 1.00 93.51 54 A 1 ATOM 463 N N . LYS A 1 55 ? 3.243 3.218 2.684 1.00 96.62 55 A 1 ATOM 464 C CA . LYS A 1 55 ? 3.970 3.974 1.659 1.00 96.18 55 A 1 ATOM 465 C C . LYS A 1 55 ? 5.224 3.227 1.199 1.00 95.70 55 A 1 ATOM 466 O O . LYS A 1 55 ? 5.448 3.100 -0.000 1.00 95.25 55 A 1 ATOM 467 C CB . LYS A 1 55 ? 4.292 5.364 2.211 1.00 95.92 55 A 1 ATOM 468 C CG . LYS A 1 55 ? 4.955 6.230 1.144 1.00 87.46 55 A 1 ATOM 469 C CD . LYS A 1 55 ? 5.327 7.596 1.720 1.00 84.39 55 A 1 ATOM 470 C CE . LYS A 1 55 ? 6.151 8.309 0.661 1.00 76.41 55 A 1 ATOM 471 N NZ . LYS A 1 55 ? 6.798 9.524 1.197 1.00 69.30 55 A 1 ATOM 472 N N . THR A 1 56 ? 5.982 2.685 2.134 1.00 96.57 56 A 1 ATOM 473 C CA . THR A 1 56 ? 7.172 1.879 1.833 1.00 95.74 56 A 1 ATOM 474 C C . THR A 1 56 ? 6.817 0.612 1.050 1.00 95.73 56 A 1 ATOM 475 O O . THR A 1 56 ? 7.536 0.247 0.124 1.00 94.62 56 A 1 ATOM 476 C CB . THR A 1 56 ? 7.905 1.511 3.131 1.00 94.93 56 A 1 ATOM 477 O OG1 . THR A 1 56 ? 8.234 2.679 3.849 1.00 89.53 56 A 1 ATOM 478 C CG2 . THR A 1 56 ? 9.213 0.766 2.884 1.00 87.62 56 A 1 ATOM 479 N N . CYS A 1 57 ? 5.689 -0.034 1.359 1.00 94.95 57 A 1 ATOM 480 C CA . CYS A 1 57 ? 5.200 -1.174 0.583 1.00 93.78 57 A 1 ATOM 481 C C . CYS A 1 57 ? 4.921 -0.790 -0.877 1.00 93.57 57 A 1 ATOM 482 O O . CYS A 1 57 ? 5.364 -1.491 -1.773 1.00 93.81 57 A 1 ATOM 483 C CB . CYS A 1 57 ? 3.942 -1.763 1.240 1.00 94.51 57 A 1 ATOM 484 S SG . CYS A 1 57 ? 4.357 -2.532 2.835 1.00 90.70 57 A 1 ATOM 485 N N . TYR A 1 58 ? 4.251 0.341 -1.120 1.00 94.14 58 A 1 ATOM 486 C CA . TYR A 1 58 ? 4.013 0.830 -2.484 1.00 93.75 58 A 1 ATOM 487 C C . TYR A 1 58 ? 5.306 1.195 -3.225 1.00 93.37 58 A 1 ATOM 488 O O . TYR A 1 58 ? 5.399 0.971 -4.425 1.00 91.35 58 A 1 ATOM 489 C CB . TYR A 1 58 ? 3.092 2.051 -2.454 1.00 93.19 58 A 1 ATOM 490 C CG . TYR A 1 58 ? 1.621 1.750 -2.260 1.00 92.44 58 A 1 ATOM 491 C CD1 . TYR A 1 58 ? 0.915 1.045 -3.251 1.00 88.93 58 A 1 ATOM 492 C CD2 . TYR A 1 58 ? 0.948 2.208 -1.113 1.00 89.24 58 A 1 ATOM 493 C CE1 . TYR A 1 58 ? -0.459 0.787 -3.096 1.00 87.33 58 A 1 ATOM 494 C CE2 . TYR A 1 58 ? -0.428 1.953 -0.953 1.00 88.32 58 A 1 ATOM 495 C CZ . TYR A 1 58 ? -1.130 1.242 -1.946 1.00 90.23 58 A 1 ATOM 496 O OH . TYR A 1 58 ? -2.462 0.992 -1.792 1.00 88.24 58 A 1 ATOM 497 N N . GLU A 1 59 ? 6.282 1.767 -2.542 1.00 93.91 59 A 1 ATOM 498 C CA . GLU A 1 59 ? 7.568 2.152 -3.136 1.00 93.59 59 A 1 ATOM 499 C C . GLU A 1 59 ? 8.433 0.938 -3.512 1.00 92.70 59 A 1 ATOM 500 O O . GLU A 1 59 ? 9.208 1.013 -4.466 1.00 91.16 59 A 1 ATOM 501 C CB . GLU A 1 59 ? 8.328 3.076 -2.169 1.00 93.77 59 A 1 ATOM 502 C CG . GLU A 1 59 ? 7.711 4.487 -2.100 1.00 88.39 59 A 1 ATOM 503 C CD . GLU A 1 59 ? 8.367 5.433 -1.070 1.00 83.91 59 A 1 ATOM 504 O OE1 . GLU A 1 59 ? 8.034 6.645 -1.100 1.00 77.76 59 A 1 ATOM 505 O OE2 . GLU A 1 59 ? 9.170 4.982 -0.226 1.00 79.42 59 A 1 ATOM 506 N N . ASN A 1 60 ? 8.295 -0.161 -2.778 1.00 93.42 60 A 1 ATOM 507 C CA . ASN A 1 60 ? 9.047 -1.392 -3.023 1.00 92.32 60 A 1 ATOM 508 C C . ASN A 1 60 ? 8.319 -2.393 -3.930 1.00 92.01 60 A 1 ATOM 509 O O . ASN A 1 60 ? 8.936 -3.369 -4.360 1.00 89.06 60 A 1 ATOM 510 C CB . ASN A 1 60 ? 9.403 -2.027 -1.672 1.00 91.03 60 A 1 ATOM 511 C CG . ASN A 1 60 ? 10.431 -1.218 -0.897 1.00 83.48 60 A 1 ATOM 512 O OD1 . ASN A 1 60 ? 11.444 -0.769 -1.403 1.00 76.56 60 A 1 ATOM 513 N ND2 . ASN A 1 60 ? 10.221 -1.026 0.376 1.00 75.54 60 A 1 ATOM 514 N N . GLU A 1 61 ? 7.040 -2.174 -4.216 1.00 92.01 61 A 1 ATOM 515 C CA . GLU A 1 61 ? 6.270 -3.034 -5.110 1.00 91.27 61 A 1 ATOM 516 C C . GLU A 1 61 ? 6.777 -2.887 -6.549 1.00 90.23 61 A 1 ATOM 517 O O . GLU A 1 61 ? 6.799 -1.791 -7.109 1.00 87.34 61 A 1 ATOM 518 C CB . GLU A 1 61 ? 4.776 -2.704 -4.985 1.00 89.96 61 A 1 ATOM 519 C CG . GLU A 1 61 ? 3.883 -3.562 -5.892 1.00 86.37 61 A 1 ATOM 520 C CD . GLU A 1 61 ? 4.157 -5.057 -5.690 1.00 84.29 61 A 1 ATOM 521 O OE1 . GLU A 1 61 ? 4.698 -5.660 -6.639 1.00 76.37 61 A 1 ATOM 522 O OE2 . GLU A 1 61 ? 3.869 -5.559 -4.587 1.00 77.13 61 A 1 ATOM 523 N N . SER A 1 62 ? 7.176 -3.996 -7.142 1.00 90.94 62 A 1 ATOM 524 C CA . SER A 1 62 ? 7.738 -4.049 -8.496 1.00 90.47 62 A 1 ATOM 525 C C . SER A 1 62 ? 7.070 -5.084 -9.396 1.00 90.97 62 A 1 ATOM 526 O O . SER A 1 62 ? 7.296 -5.071 -10.607 1.00 87.69 62 A 1 ATOM 527 C CB . SER A 1 62 ? 9.247 -4.291 -8.421 1.00 87.90 62 A 1 ATOM 528 O OG . SER A 1 62 ? 9.564 -5.505 -7.770 1.00 81.85 62 A 1 ATOM 529 N N . ASP A 1 63 ? 6.228 -5.941 -8.832 1.00 91.14 63 A 1 ATOM 530 C CA . ASP A 1 63 ? 5.564 -7.012 -9.573 1.00 91.94 63 A 1 ATOM 531 C C . ASP A 1 63 ? 4.370 -6.489 -10.374 1.00 92.94 63 A 1 ATOM 532 O O . ASP A 1 63 ? 4.007 -7.060 -11.406 1.00 90.91 63 A 1 ATOM 533 C CB . ASP A 1 63 ? 5.122 -8.113 -8.597 1.00 89.82 63 A 1 ATOM 534 C CG . ASP A 1 63 ? 6.275 -8.940 -8.005 1.00 84.50 63 A 1 ATOM 535 O OD1 . ASP A 1 63 ? 7.403 -8.864 -8.539 1.00 80.29 63 A 1 ATOM 536 O OD2 . ASP A 1 63 ? 5.993 -9.728 -7.074 1.00 79.83 63 A 1 ATOM 537 N N . PHE A 1 64 ? 3.761 -5.385 -9.926 1.00 92.04 64 A 1 ATOM 538 C CA . PHE A 1 64 ? 2.660 -4.731 -10.617 1.00 92.83 64 A 1 ATOM 539 C C . PHE A 1 64 ? 3.136 -3.518 -11.411 1.00 92.37 64 A 1 ATOM 540 O O . PHE A 1 64 ? 3.753 -2.593 -10.891 1.00 90.91 64 A 1 ATOM 541 C CB . PHE A 1 64 ? 1.551 -4.361 -9.634 1.00 93.13 64 A 1 ATOM 542 C CG . PHE A 1 64 ? 0.767 -5.554 -9.133 1.00 93.53 64 A 1 ATOM 543 C CD1 . PHE A 1 64 ? -0.356 -6.013 -9.839 1.00 91.77 64 A 1 ATOM 544 C CD2 . PHE A 1 64 ? 1.173 -6.220 -7.961 1.00 92.52 64 A 1 ATOM 545 C CE1 . PHE A 1 64 ? -1.081 -7.123 -9.375 1.00 91.13 64 A 1 ATOM 546 C CE2 . PHE A 1 64 ? 0.454 -7.335 -7.498 1.00 91.58 64 A 1 ATOM 547 C CZ . PHE A 1 64 ? -0.675 -7.784 -8.204 1.00 92.37 64 A 1 ATOM 548 N N . VAL A 1 65 ? 2.764 -3.470 -12.682 1.00 91.36 65 A 1 ATOM 549 C CA . VAL A 1 65 ? 3.067 -2.354 -13.579 1.00 91.31 65 A 1 ATOM 550 C C . VAL A 1 65 ? 1.787 -1.658 -14.021 1.00 91.92 65 A 1 ATOM 551 O O . VAL A 1 65 ? 0.770 -2.295 -14.281 1.00 91.12 65 A 1 ATOM 552 C CB . VAL A 1 65 ? 3.913 -2.794 -14.781 1.00 89.32 65 A 1 ATOM 553 C CG1 . VAL A 1 65 ? 5.291 -3.291 -14.321 1.00 80.45 65 A 1 ATOM 554 C CG2 . VAL A 1 65 ? 3.247 -3.890 -15.617 1.00 81.10 65 A 1 ATOM 555 N N . LEU A 1 66 ? 1.851 -0.337 -14.143 1.00 90.03 66 A 1 ATOM 556 C CA . LEU A 1 66 ? 0.741 0.474 -14.632 1.00 89.79 66 A 1 ATOM 557 C C . LEU A 1 66 ? 0.372 0.053 -16.053 1.00 89.63 66 A 1 ATOM 558 O O . LEU A 1 66 ? 1.227 0.018 -16.939 1.00 88.71 66 A 1 ATOM 559 C CB . LEU A 1 66 ? 1.140 1.956 -14.567 1.00 88.36 66 A 1 ATOM 560 C CG . LEU A 1 66 ? -0.066 2.897 -14.666 1.00 82.53 66 A 1 ATOM 561 C CD1 . LEU A 1 66 ? -0.840 2.897 -13.349 1.00 78.84 66 A 1 ATOM 562 C CD2 . LEU A 1 66 ? 0.398 4.329 -14.938 1.00 78.75 66 A 1 ATOM 563 N N . SER A 1 67 ? -0.896 -0.262 -16.268 1.00 89.78 67 A 1 ATOM 564 C CA . SER A 1 67 ? -1.375 -0.896 -17.494 1.00 90.08 67 A 1 ATOM 565 C C . SER A 1 67 ? -2.723 -0.345 -17.948 1.00 89.79 67 A 1 ATOM 566 O O . SER A 1 67 ? -3.462 0.286 -17.183 1.00 89.51 67 A 1 ATOM 567 C CB . SER A 1 67 ? -1.470 -2.411 -17.301 1.00 89.63 67 A 1 ATOM 568 O OG . SER A 1 67 ? -0.217 -2.952 -16.935 1.00 82.07 67 A 1 ATOM 569 N N . ASP A 1 68 ? -3.055 -0.591 -19.202 1.00 90.91 68 A 1 ATOM 570 C CA . ASP A 1 68 ? -4.410 -0.398 -19.708 1.00 90.38 68 A 1 ATOM 571 C C . ASP A 1 68 ? -5.340 -1.564 -19.306 1.00 90.48 68 A 1 ATOM 572 O O . ASP A 1 68 ? -4.966 -2.476 -18.567 1.00 88.68 68 A 1 ATOM 573 C CB . ASP A 1 68 ? -4.367 -0.123 -21.223 1.00 88.10 68 A 1 ATOM 574 C CG . ASP A 1 68 ? -3.959 -1.318 -22.088 1.00 85.89 68 A 1 ATOM 575 O OD1 . ASP A 1 68 ? -3.993 -2.459 -21.595 1.00 82.35 68 A 1 ATOM 576 O OD2 . ASP A 1 68 ? -3.649 -1.098 -23.280 1.00 82.37 68 A 1 ATOM 577 N N . ASN A 1 69 ? -6.586 -1.524 -19.795 1.00 89.43 69 A 1 ATOM 578 C CA . ASN A 1 69 ? -7.583 -2.554 -19.497 1.00 88.75 69 A 1 ATOM 579 C C . ASN A 1 69 ? -7.322 -3.913 -20.172 1.00 88.97 69 A 1 ATOM 580 O O . ASN A 1 69 ? -8.090 -4.847 -19.937 1.00 86.12 69 A 1 ATOM 581 C CB . ASN A 1 69 ? -8.975 -2.017 -19.865 1.00 86.58 69 A 1 ATOM 582 C CG . ASN A 1 69 ? -9.128 -1.797 -21.359 1.00 82.26 69 A 1 ATOM 583 O OD1 . ASN A 1 69 ? -8.380 -1.073 -21.980 1.00 73.77 69 A 1 ATOM 584 N ND2 . ASN A 1 69 ? -10.122 -2.374 -21.985 1.00 76.59 69 A 1 ATOM 585 N N . GLU A 1 70 ? -6.296 -4.014 -20.999 1.00 87.20 70 A 1 ATOM 586 C CA . GLU A 1 70 ? -5.872 -5.246 -21.674 1.00 87.10 70 A 1 ATOM 587 C C . GLU A 1 70 ? -4.568 -5.808 -21.076 1.00 87.14 70 A 1 ATOM 588 O O . GLU A 1 70 ? -4.100 -6.857 -21.500 1.00 82.64 70 A 1 ATOM 589 C CB . GLU A 1 70 ? -5.764 -5.000 -23.193 1.00 85.84 70 A 1 ATOM 590 C CG . GLU A 1 70 ? -7.097 -4.547 -23.807 1.00 81.09 70 A 1 ATOM 591 C CD . GLU A 1 70 ? -7.039 -4.416 -25.339 1.00 75.52 70 A 1 ATOM 592 O OE1 . GLU A 1 70 ? -7.862 -5.083 -26.012 1.00 68.07 70 A 1 ATOM 593 O OE2 . GLU A 1 70 ? -6.224 -3.611 -25.838 1.00 69.30 70 A 1 ATOM 594 N N . GLY A 1 71 ? -4.010 -5.132 -20.076 1.00 87.24 71 A 1 ATOM 595 C CA . GLY A 1 71 ? -2.752 -5.515 -19.433 1.00 86.51 71 A 1 ATOM 596 C C . GLY A 1 71 ? -1.506 -5.016 -20.167 1.00 87.92 71 A 1 ATOM 597 O O . GLY A 1 71 ? -0.398 -5.437 -19.840 1.00 85.63 71 A 1 ATOM 598 N N . ASN A 1 72 ? -1.656 -4.108 -21.144 1.00 84.96 72 A 1 ATOM 599 C CA . ASN A 1 72 ? -0.501 -3.522 -21.814 1.00 84.97 72 A 1 ATOM 600 C C . ASN A 1 72 ? 0.111 -2.432 -20.936 1.00 84.92 72 A 1 ATOM 601 O O . ASN A 1 72 ? -0.592 -1.526 -20.484 1.00 82.78 72 A 1 ATOM 602 C CB . ASN A 1 72 ? -0.884 -2.952 -23.183 1.00 83.50 72 A 1 ATOM 603 C CG . ASN A 1 72 ? -1.573 -3.962 -24.070 1.00 78.72 72 A 1 ATOM 604 O OD1 . ASN A 1 72 ? -1.011 -4.983 -24.436 1.00 73.03 72 A 1 ATOM 605 N ND2 . ASN A 1 72 ? -2.803 -3.696 -24.448 1.00 71.26 72 A 1 ATOM 606 N N . LYS A 1 73 ? 1.428 -2.481 -20.739 1.00 85.40 73 A 1 ATOM 607 C CA . LYS A 1 73 ? 2.176 -1.471 -19.990 1.00 84.39 73 A 1 ATOM 608 C C . LYS A 1 73 ? 1.950 -0.089 -20.605 1.00 83.51 73 A 1 ATOM 609 O O . LYS A 1 73 ? 2.130 0.094 -21.812 1.00 81.78 73 A 1 ATOM 610 C CB . LYS A 1 73 ? 3.677 -1.827 -19.921 1.00 80.98 73 A 1 ATOM 611 C CG . LYS A 1 73 ? 3.920 -3.153 -19.160 1.00 73.24 73 A 1 ATOM 612 C CD . LYS A 1 73 ? 5.402 -3.552 -18.998 1.00 70.41 73 A 1 ATOM 613 C CE . LYS A 1 73 ? 5.444 -4.903 -18.243 1.00 63.73 73 A 1 ATOM 614 N NZ . LYS A 1 73 ? 6.804 -5.452 -17.955 1.00 57.43 73 A 1 ATOM 615 N N . LEU A 1 74 ? 1.572 0.874 -19.783 1.00 81.45 74 A 1 ATOM 616 C CA . LEU A 1 74 ? 1.501 2.270 -20.187 1.00 79.71 74 A 1 ATOM 617 C C . LEU A 1 74 ? 2.916 2.848 -20.136 1.00 77.42 74 A 1 ATOM 618 O O . LEU A 1 74 ? 3.545 2.871 -19.082 1.00 72.88 74 A 1 ATOM 619 C CB . LEU A 1 74 ? 0.511 3.038 -19.297 1.00 76.99 74 A 1 ATOM 620 C CG . LEU A 1 74 ? -0.950 2.539 -19.379 1.00 73.88 74 A 1 ATOM 621 C CD1 . LEU A 1 74 ? -1.827 3.341 -18.414 1.00 72.32 74 A 1 ATOM 622 C CD2 . LEU A 1 74 ? -1.544 2.689 -20.784 1.00 70.81 74 A 1 ATOM 623 N N . GLU A 1 75 ? 3.408 3.311 -21.273 1.00 64.25 75 A 1 ATOM 624 C CA . GLU A 1 75 ? 4.662 4.065 -21.305 1.00 62.29 75 A 1 ATOM 625 C C . GLU A 1 75 ? 4.428 5.437 -20.657 1.00 60.56 75 A 1 ATOM 626 O O . GLU A 1 75 ? 3.580 6.212 -21.108 1.00 55.53 75 A 1 ATOM 627 C CB . GLU A 1 75 ? 5.209 4.186 -22.739 1.00 57.95 75 A 1 ATOM 628 C CG . GLU A 1 75 ? 5.677 2.827 -23.308 1.00 51.12 75 A 1 ATOM 629 C CD . GLU A 1 75 ? 6.366 2.930 -24.688 1.00 46.57 75 A 1 ATOM 630 O OE1 . GLU A 1 75 ? 7.130 1.993 -25.023 1.00 42.75 75 A 1 ATOM 631 O OE2 . GLU A 1 75 ? 6.127 3.918 -25.424 1.00 43.27 75 A 1 ATOM 632 N N . GLU A 1 76 ? 5.162 5.732 -19.600 1.00 61.54 76 A 1 ATOM 633 C CA . GLU A 1 76 ? 5.238 7.089 -19.064 1.00 60.40 76 A 1 ATOM 634 C C . GLU A 1 76 ? 6.042 7.948 -20.051 1.00 58.61 76 A 1 ATOM 635 O O . GLU A 1 76 ? 7.204 7.654 -20.339 1.00 54.10 76 A 1 ATOM 636 C CB . GLU A 1 76 ? 5.856 7.100 -17.653 1.00 56.79 76 A 1 ATOM 637 C CG . GLU A 1 76 ? 4.953 6.413 -16.605 1.00 50.22 76 A 1 ATOM 638 C CD . GLU A 1 76 ? 5.457 6.566 -15.154 1.00 47.09 76 A 1 ATOM 639 O OE1 . GLU A 1 76 ? 4.593 6.538 -14.245 1.00 43.47 76 A 1 ATOM 640 O OE2 . GLU A 1 76 ? 6.681 6.713 -14.952 1.00 42.95 76 A 1 ATOM 641 N N . TRP A 1 77 ? 5.396 8.968 -20.627 1.00 55.04 77 A 1 ATOM 642 C CA . TRP A 1 77 ? 6.025 9.975 -21.486 1.00 51.08 77 A 1 ATOM 643 C C . TRP A 1 77 ? 6.523 11.174 -20.682 1.00 46.32 77 A 1 ATOM 644 O O . TRP A 1 77 ? 5.777 11.601 -19.771 1.00 41.56 77 A 1 ATOM 645 C CB . TRP A 1 77 ? 5.045 10.439 -22.570 1.00 46.16 77 A 1 ATOM 646 C CG . TRP A 1 77 ? 4.735 9.428 -23.636 1.00 43.60 77 A 1 ATOM 647 C CD1 . TRP A 1 77 ? 3.793 8.462 -23.549 1.00 40.48 77 A 1 ATOM 648 C CD2 . TRP A 1 77 ? 5.363 9.266 -24.941 1.00 40.64 77 A 1 ATOM 649 N NE1 . TRP A 1 77 ? 3.795 7.705 -24.706 1.00 38.90 77 A 1 ATOM 650 C CE2 . TRP A 1 77 ? 4.747 8.153 -25.590 1.00 45.36 77 A 1 ATOM 651 C CE3 . TRP A 1 77 ? 6.389 9.942 -25.629 1.00 41.75 77 A 1 ATOM 652 C CZ2 . TRP A 1 77 ? 5.149 7.724 -26.865 1.00 44.60 77 A 1 ATOM 653 C CZ3 . TRP A 1 77 ? 6.796 9.513 -26.902 1.00 41.47 77 A 1 ATOM 654 C CH2 . TRP A 1 77 ? 6.180 8.414 -27.524 1.00 39.03 77 A 1 ATOM 655 O OXT . TRP A 1 77 ? 7.619 11.644 -21.022 1.00 44.14 77 A 1 #