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*** LYSOZYME ***elNémo ID: 261028084026294780Job options:ID = 261028084026294780 JOBID = LYSOZYME USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER LYSOZYME data_253L # _entry.id 253L # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.392 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code _database_2.pdbx_database_accession _database_2.pdbx_DOI PDB 253L pdb_0000253l 10.2210/pdb253l/pdb WWPDB D_1000177659 ? ? # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 1998-01-28 2 'Structure model' 1 1 2008-03-24 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2021-11-03 5 'Structure model' 2 0 2022-11-23 6 'Structure model' 2 1 2023-03-15 7 'Structure model' 2 2 2024-05-22 # loop_ _pdbx_audit_revision_details.ordinal _pdbx_audit_revision_details.revision_ordinal _pdbx_audit_revision_details.data_content_type _pdbx_audit_revision_details.provider _pdbx_audit_revision_details.type _pdbx_audit_revision_details.description _pdbx_audit_revision_details.details 1 1 'Structure model' repository 'Initial release' ? ? 2 5 'Structure model' repository Remediation ? 'ORTHOGONAL X,Y,Z AXES WERE REALIGNED FROM A*,B,C TO A,B*,C CRYSTALLOGRAPHIC DIRECTIONS' # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' Advisory 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Database references' 5 4 'Structure model' 'Derived calculations' 6 4 'Structure model' Other 7 5 'Structure model' 'Atomic model' 8 5 'Structure model' 'Data collection' 9 5 'Structure model' Other 10 6 'Structure model' Advisory 11 7 'Structure model' 'Data collection' # loop_ _pdbx_audit_revision_category.ordinal _pdbx_audit_revision_category.revision_ordinal _pdbx_audit_revision_category.data_content_type _pdbx_audit_revision_category.category 1 4 'Structure model' database_2 2 4 'Structure model' pdbx_database_status 3 4 'Structure model' struct_ref_seq_dif 4 4 'Structure model' struct_site 5 5 'Structure model' atom_site 6 5 'Structure model' atom_sites 7 5 'Structure model' database_PDB_matrix 8 5 'Structure model' pdbx_validate_rmsd_angle 9 5 'Structure model' pdbx_validate_rmsd_bond 10 5 'Structure model' pdbx_validate_torsion 11 6 'Structure model' pdbx_database_remark 12 7 'Structure model' chem_comp_atom 13 7 'Structure model' chem_comp_bond # loop_ _pdbx_audit_revision_item.ordinal _pdbx_audit_revision_item.revision_ordinal _pdbx_audit_revision_item.data_content_type _pdbx_audit_revision_item.item 1 4 'Structure model' '_database_2.pdbx_DOI' 2 4 'Structure model' '_database_2.pdbx_database_accession' 3 4 'Structure model' '_pdbx_database_status.process_site' 4 4 'Structure model' '_struct_ref_seq_dif.details' 5 4 'Structure model' '_struct_site.pdbx_auth_asym_id' 6 4 'Structure model' '_struct_site.pdbx_auth_comp_id' 7 4 'Structure model' '_struct_site.pdbx_auth_seq_id' 8 5 'Structure model' '_atom_site.Cartn_x' 9 5 'Structure model' '_atom_site.Cartn_y' 10 5 'Structure model' '_atom_sites.fract_transf_matrix[1][1]' 11 5 'Structure model' '_atom_sites.fract_transf_matrix[1][2]' 12 5 'Structure model' '_atom_sites.fract_transf_matrix[2][1]' 13 5 'Structure model' '_atom_sites.fract_transf_matrix[2][2]' 14 5 'Structure model' '_database_PDB_matrix.origx[1][1]' 15 5 'Structure model' '_database_PDB_matrix.origx[1][2]' 16 5 'Structure model' '_database_PDB_matrix.origx[2][1]' 17 5 'Structure model' '_database_PDB_matrix.origx[2][2]' 18 5 'Structure model' '_pdbx_validate_rmsd_bond.bond_deviation' 19 5 'Structure model' '_pdbx_validate_rmsd_bond.bond_value' 20 5 'Structure model' '_pdbx_validate_torsion.phi' 21 5 'Structure model' '_pdbx_validate_torsion.psi' # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 253L _pdbx_database_status.recvd_initial_deposition_date 1997-11-10 _pdbx_database_status.deposit_site ? _pdbx_database_status.process_site BNL _pdbx_database_status.SG_entry . _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_nmr_data ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Kuroki, R.' 1 'Shoichet, B.' 2 'Weaver, L.H.' 3 'Matthews, B.W.' 4 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'A relationship between protein stability and protein function.' Proc.Natl.Acad.Sci.USA 92 452 456 1995 PNASA6 US 0027-8424 0040 ? 7831309 10.1073/pnas.92.2.452 1 'A Covalent Enzyme-Substrate Intermediate with Saccharide Distortion in a Mutant T4 Lysozyme' Science 262 2030 ? 1993 SCIEAS US 0036-8075 0038 ? ? ? 2 'Structure of Bacteriophage T4 Lysozyme Refined at 1.7 A Resolution' J.Mol.Biol. 193 189 ? 1987 JMOBAK UK 0022-2836 0070 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal _citation_author.identifier_ORCID primary 'Shoichet, B.K.' 1 ? primary 'Baase, W.A.' 2 ? primary 'Kuroki, R.' 3 ? primary 'Matthews, B.W.' 4 ? 1 'Kuroki, R.' 5 ? 1 'Weaver, L.H.' 6 ? 1 'Matthews, B.W.' 7 ? 2 'Weaver, L.H.' 8 ? 2 'Matthews, B.W.' 9 ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man LYSOZYME 18584.352 1 3.2.1.17 'D20A, C54T, C97A' ? ? 2 non-polymer syn 'CHLORIDE ION' 35.453 2 ? ? ? ? 3 non-polymer syn BETA-MERCAPTOETHANOL 78.133 1 ? ? ? ? 4 water nat water 18.015 125 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;MNIFEMLRIDEGLRLKIYKATEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDA YKNL ; _entity_poly.pdbx_seq_one_letter_code_can ;MNIFEMLRIDEGLRLKIYKATEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDA YKNL ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CHLORIDE ION' CL 3 BETA-MERCAPTOETHANOL BME 4 water HOH # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 ASN n 1 3 ILE n 1 4 PHE n 1 5 GLU n 1 6 MET n 1 7 LEU n 1 8 ARG n 1 9 ILE n 1 10 ASP n 1 11 GLU n 1 12 GLY n 1 13 LEU n 1 14 ARG n 1 15 LEU n 1 16 LYS n 1 17 ILE n 1 18 TYR n 1 19 LYS n 1 20 ALA n 1 21 THR n 1 22 GLU n 1 23 GLY n 1 24 TYR n 1 25 TYR n 1 26 THR n 1 27 ILE n 1 28 GLY n 1 29 ILE n 1 30 GLY n 1 31 HIS n 1 32 LEU n 1 33 LEU n 1 34 THR n 1 35 LYS n 1 36 SER n 1 37 PRO n 1 38 SER n 1 39 LEU n 1 40 ASN n 1 41 ALA n 1 42 ALA n 1 43 LYS n 1 44 SER n 1 45 GLU n 1 46 LEU n 1 47 ASP n 1 48 LYS n 1 49 ALA n 1 50 ILE n 1 51 GLY n 1 52 ARG n 1 53 ASN n 1 54 THR n 1 55 ASN n 1 56 GLY n 1 57 VAL n 1 58 ILE n 1 59 THR n 1 60 LYS n 1 61 ASP n 1 62 GLU n 1 63 ALA n 1 64 GLU n 1 65 LYS n 1 66 LEU n 1 67 PHE n 1 68 ASN n 1 69 GLN n 1 70 ASP n 1 71 VAL n 1 72 ASP n 1 73 ALA n 1 74 ALA n 1 75 VAL n 1 76 ARG n 1 77 GLY n 1 78 ILE n 1 79 LEU n 1 80 ARG n 1 81 ASN n 1 82 ALA n 1 83 LYS n 1 84 LEU n 1 85 LYS n 1 86 PRO n 1 87 VAL n 1 88 TYR n 1 89 ASP n 1 90 SER n 1 91 LEU n 1 92 ASP n 1 93 ALA n 1 94 VAL n 1 95 ARG n 1 96 ARG n 1 97 ALA n 1 98 ALA n 1 99 LEU n 1 100 ILE n 1 101 ASN n 1 102 MET n 1 103 VAL n 1 104 PHE n 1 105 GLN n 1 106 MET n 1 107 GLY n 1 108 GLU n 1 109 THR n 1 110 GLY n 1 111 VAL n 1 112 ALA n 1 113 GLY n 1 114 PHE n 1 115 THR n 1 116 ASN n 1 117 SER n 1 118 LEU n 1 119 ARG n 1 120 MET n 1 121 LEU n 1 122 GLN n 1 123 GLN n 1 124 LYS n 1 125 ARG n 1 126 TRP n 1 127 ASP n 1 128 GLU n 1 129 ALA n 1 130 ALA n 1 131 VAL n 1 132 ASN n 1 133 LEU n 1 134 ALA n 1 135 LYS n 1 136 SER n 1 137 ARG n 1 138 TRP n 1 139 TYR n 1 140 ASN n 1 141 GLN n 1 142 THR n 1 143 PRO n 1 144 ASN n 1 145 ARG n 1 146 ALA n 1 147 LYS n 1 148 ARG n 1 149 VAL n 1 150 ILE n 1 151 THR n 1 152 THR n 1 153 PHE n 1 154 ARG n 1 155 THR n 1 156 GLY n 1 157 THR n 1 158 TRP n 1 159 ASP n 1 160 ALA n 1 161 TYR n 1 162 LYS n 1 163 ASN n 1 164 LEU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus 'T4-like viruses' _entity_src_gen.pdbx_gene_src_gene 'T4 LYSOZYME GENE' _entity_src_gen.gene_src_species 'Enterobacteria phage T4 sensu lato' _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Enterobacteria phage T4' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10665 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562 _entity_src_gen.host_org_genus Escherichia _entity_src_gen.pdbx_host_org_gene 'T4 LYSOZYME GENE' _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name M13 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BME non-polymer . BETA-MERCAPTOETHANOL ? 'C2 H6 O S' 78.133 CL non-polymer . 'CHLORIDE ION' ? 'Cl -1' 35.453 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 MET 1 1 1 MET MET A . n A 1 2 ASN 2 2 2 ASN ASN A . n A 1 3 ILE 3 3 3 ILE ILE A . n A 1 4 PHE 4 4 4 PHE PHE A . n A 1 5 GLU 5 5 5 GLU GLU A . n A 1 6 MET 6 6 6 MET MET A . n A 1 7 LEU 7 7 7 LEU LEU A . n A 1 8 ARG 8 8 8 ARG ARG A . n A 1 9 ILE 9 9 9 ILE ILE A . n A 1 10 ASP 10 10 10 ASP ASP A . n A 1 11 GLU 11 11 11 GLU GLU A . n A 1 12 GLY 12 12 12 GLY GLY A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 ARG 14 14 14 ARG ARG A . n A 1 15 LEU 15 15 15 LEU LEU A . n A 1 16 LYS 16 16 16 LYS LYS A . n A 1 17 ILE 17 17 17 ILE ILE A . n A 1 18 TYR 18 18 18 TYR TYR A . n A 1 19 LYS 19 19 19 LYS LYS A . n A 1 20 ALA 20 20 20 ALA ALA A . n A 1 21 THR 21 21 21 THR THR A . n A 1 22 GLU 22 22 22 GLU GLU A . n A 1 23 GLY 23 23 23 GLY GLY A . n A 1 24 TYR 24 24 24 TYR TYR A . n A 1 25 TYR 25 25 25 TYR TYR A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 ILE 27 27 27 ILE ILE A . n A 1 28 GLY 28 28 28 GLY GLY A . n A 1 29 ILE 29 29 29 ILE ILE A . n A 1 30 GLY 30 30 30 GLY GLY A . n A 1 31 HIS 31 31 31 HIS HIS A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 LEU 33 33 33 LEU LEU A . n A 1 34 THR 34 34 34 THR THR A . n A 1 35 LYS 35 35 35 LYS LYS A . n A 1 36 SER 36 36 36 SER SER A . n A 1 37 PRO 37 37 37 PRO PRO A . n A 1 38 SER 38 38 38 SER SER A . n A 1 39 LEU 39 39 39 LEU LEU A . n A 1 40 ASN 40 40 40 ASN ASN A . n A 1 41 ALA 41 41 41 ALA ALA A . n A 1 42 ALA 42 42 42 ALA ALA A . n A 1 43 LYS 43 43 43 LYS LYS A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 GLU 45 45 45 GLU GLU A . n A 1 46 LEU 46 46 46 LEU LEU A . n A 1 47 ASP 47 47 47 ASP ASP A . n A 1 48 LYS 48 48 48 LYS LYS A . n A 1 49 ALA 49 49 49 ALA ALA A . n A 1 50 ILE 50 50 50 ILE ILE A . n A 1 51 GLY 51 51 51 GLY GLY A . n A 1 52 ARG 52 52 52 ARG ARG A . n A 1 53 ASN 53 53 53 ASN ASN A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 ASN 55 55 55 ASN ASN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 VAL 57 57 57 VAL VAL A . n A 1 58 ILE 58 58 58 ILE ILE A . n A 1 59 THR 59 59 59 THR THR A . n A 1 60 LYS 60 60 60 LYS LYS A . n A 1 61 ASP 61 61 61 ASP ASP A . n A 1 62 GLU 62 62 62 GLU GLU A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 GLU 64 64 64 GLU GLU A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 PHE 67 67 67 PHE PHE A . n A 1 68 ASN 68 68 68 ASN ASN A . n A 1 69 GLN 69 69 69 GLN GLN A . n A 1 70 ASP 70 70 70 ASP ASP A . n A 1 71 VAL 71 71 71 VAL VAL A . n A 1 72 ASP 72 72 72 ASP ASP A . n A 1 73 ALA 73 73 73 ALA ALA A . n A 1 74 ALA 74 74 74 ALA ALA A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 ARG 76 76 76 ARG ARG A . n A 1 77 GLY 77 77 77 GLY GLY A . n A 1 78 ILE 78 78 78 ILE ILE A . n A 1 79 LEU 79 79 79 LEU LEU A . n A 1 80 ARG 80 80 80 ARG ARG A . n A 1 81 ASN 81 81 81 ASN ASN A . n A 1 82 ALA 82 82 82 ALA ALA A . n A 1 83 LYS 83 83 83 LYS LYS A . n A 1 84 LEU 84 84 84 LEU LEU A . n A 1 85 LYS 85 85 85 LYS LYS A . n A 1 86 PRO 86 86 86 PRO PRO A . n A 1 87 VAL 87 87 87 VAL VAL A . n A 1 88 TYR 88 88 88 TYR TYR A . n A 1 89 ASP 89 89 89 ASP ASP A . n A 1 90 SER 90 90 90 SER SER A . n A 1 91 LEU 91 91 91 LEU LEU A . n A 1 92 ASP 92 92 92 ASP ASP A . n A 1 93 ALA 93 93 93 ALA ALA A . n A 1 94 VAL 94 94 94 VAL VAL A . n A 1 95 ARG 95 95 95 ARG ARG A . n A 1 96 ARG 96 96 96 ARG ARG A . n A 1 97 ALA 97 97 97 ALA ALA A . n A 1 98 ALA 98 98 98 ALA ALA A . n A 1 99 LEU 99 99 99 LEU LEU A . n A 1 100 ILE 100 100 100 ILE ILE A . n A 1 101 ASN 101 101 101 ASN ASN A . n A 1 102 MET 102 102 102 MET MET A . n A 1 103 VAL 103 103 103 VAL VAL A . n A 1 104 PHE 104 104 104 PHE PHE A . n A 1 105 GLN 105 105 105 GLN GLN A . n A 1 106 MET 106 106 106 MET MET A . n A 1 107 GLY 107 107 107 GLY GLY A . n A 1 108 GLU 108 108 108 GLU GLU A . n A 1 109 THR 109 109 109 THR THR A . n A 1 110 GLY 110 110 110 GLY GLY A . n A 1 111 VAL 111 111 111 VAL VAL A . n A 1 112 ALA 112 112 112 ALA ALA A . n A 1 113 GLY 113 113 113 GLY GLY A . n A 1 114 PHE 114 114 114 PHE PHE A . n A 1 115 THR 115 115 115 THR THR A . n A 1 116 ASN 116 116 116 ASN ASN A . n A 1 117 SER 117 117 117 SER SER A . n A 1 118 LEU 118 118 118 LEU LEU A . n A 1 119 ARG 119 119 119 ARG ARG A . n A 1 120 MET 120 120 120 MET MET A . n A 1 121 LEU 121 121 121 LEU LEU A . n A 1 122 GLN 122 122 122 GLN GLN A . n A 1 123 GLN 123 123 123 GLN GLN A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 ARG 125 125 125 ARG ARG A . n A 1 126 TRP 126 126 126 TRP TRP A . n A 1 127 ASP 127 127 127 ASP ASP A . n A 1 128 GLU 128 128 128 GLU GLU A . n A 1 129 ALA 129 129 129 ALA ALA A . n A 1 130 ALA 130 130 130 ALA ALA A . n A 1 131 VAL 131 131 131 VAL VAL A . n A 1 132 ASN 132 132 132 ASN ASN A . n A 1 133 LEU 133 133 133 LEU LEU A . n A 1 134 ALA 134 134 134 ALA ALA A . n A 1 135 LYS 135 135 135 LYS LYS A . n A 1 136 SER 136 136 136 SER SER A . n A 1 137 ARG 137 137 137 ARG ARG A . n A 1 138 TRP 138 138 138 TRP TRP A . n A 1 139 TYR 139 139 139 TYR TYR A . n A 1 140 ASN 140 140 140 ASN ASN A . n A 1 141 GLN 141 141 141 GLN GLN A . n A 1 142 THR 142 142 142 THR THR A . n A 1 143 PRO 143 143 143 PRO PRO A . n A 1 144 ASN 144 144 144 ASN ASN A . n A 1 145 ARG 145 145 145 ARG ARG A . n A 1 146 ALA 146 146 146 ALA ALA A . n A 1 147 LYS 147 147 147 LYS LYS A . n A 1 148 ARG 148 148 148 ARG ARG A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 ILE 150 150 150 ILE ILE A . n A 1 151 THR 151 151 151 THR THR A . n A 1 152 THR 152 152 152 THR THR A . n A 1 153 PHE 153 153 153 PHE PHE A . n A 1 154 ARG 154 154 154 ARG ARG A . n A 1 155 THR 155 155 155 THR THR A . n A 1 156 GLY 156 156 156 GLY GLY A . n A 1 157 THR 157 157 157 THR THR A . n A 1 158 TRP 158 158 158 TRP TRP A . n A 1 159 ASP 159 159 159 ASP ASP A . n A 1 160 ALA 160 160 160 ALA ALA A . n A 1 161 TYR 161 161 161 TYR TYR A . n A 1 162 LYS 162 162 162 LYS LYS A . n A 1 163 ASN 163 163 163 ASN ASN A . n A 1 164 LEU 164 164 164 LEU LEU A . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 CL 1 173 173 CL CL A . C 2 CL 1 178 178 CL CL A . D 3 BME 1 170 170 BME BME A . E 4 HOH 1 171 171 HOH HOH A . E 4 HOH 2 172 172 HOH HOH A . E 4 HOH 3 174 174 HOH HOH A . E 4 HOH 4 175 175 HOH HOH A . E 4 HOH 5 177 177 HOH HOH A . E 4 HOH 6 179 179 HOH HOH A . E 4 HOH 7 180 180 HOH HOH A . E 4 HOH 8 181 181 HOH HOH A . E 4 HOH 9 182 182 HOH HOH A . E 4 HOH 10 183 183 HOH HOH A . E 4 HOH 11 184 184 HOH HOH A . E 4 HOH 12 185 185 HOH HOH A . E 4 HOH 13 186 186 HOH HOH A . E 4 HOH 14 187 187 HOH HOH A . E 4 HOH 15 188 188 HOH HOH A . E 4 HOH 16 189 189 HOH HOH A . E 4 HOH 17 190 190 HOH HOH A . E 4 HOH 18 191 191 HOH HOH A . E 4 HOH 19 192 192 HOH HOH A . E 4 HOH 20 193 193 HOH HOH A . E 4 HOH 21 195 195 HOH HOH A . E 4 HOH 22 196 196 HOH HOH A . E 4 HOH 23 197 197 HOH HOH A . E 4 HOH 24 198 198 HOH HOH A . E 4 HOH 25 200 200 HOH HOH A . E 4 HOH 26 201 201 HOH HOH A . E 4 HOH 27 203 203 HOH HOH A . E 4 HOH 28 204 204 HOH HOH A . E 4 HOH 29 206 206 HOH HOH A . E 4 HOH 30 207 207 HOH HOH A . E 4 HOH 31 208 208 HOH HOH A . E 4 HOH 32 209 209 HOH HOH A . E 4 HOH 33 210 210 HOH HOH A . E 4 HOH 34 211 211 HOH HOH A . E 4 HOH 35 213 213 HOH HOH A . E 4 HOH 36 214 214 HOH HOH A . E 4 HOH 37 215 215 HOH HOH A . E 4 HOH 38 216 216 HOH HOH A . E 4 HOH 39 217 217 HOH HOH A . E 4 HOH 40 218 218 HOH HOH A . E 4 HOH 41 219 219 HOH HOH A . E 4 HOH 42 220 220 HOH HOH A . E 4 HOH 43 221 221 HOH HOH A . E 4 HOH 44 222 222 HOH HOH A . E 4 HOH 45 223 223 HOH HOH A . E 4 HOH 46 227 227 HOH HOH A . E 4 HOH 47 228 228 HOH HOH A . E 4 HOH 48 229 229 HOH HOH A . E 4 HOH 49 230 230 HOH HOH A . E 4 HOH 50 231 231 HOH HOH A . E 4 HOH 51 232 232 HOH HOH A . E 4 HOH 52 233 233 HOH HOH A . E 4 HOH 53 234 234 HOH HOH A . E 4 HOH 54 235 235 HOH HOH A . E 4 HOH 55 237 237 HOH HOH A . E 4 HOH 56 238 238 HOH HOH A . E 4 HOH 57 239 239 HOH HOH A . E 4 HOH 58 240 240 HOH HOH A . E 4 HOH 59 242 242 HOH HOH A . E 4 HOH 60 244 244 HOH HOH A . E 4 HOH 61 245 245 HOH HOH A . E 4 HOH 62 246 246 HOH HOH A . E 4 HOH 63 248 248 HOH HOH A . E 4 HOH 64 250 250 HOH HOH A . E 4 HOH 65 251 251 HOH HOH A . E 4 HOH 66 253 253 HOH HOH A . E 4 HOH 67 254 254 HOH HOH A . E 4 HOH 68 256 256 HOH HOH A . E 4 HOH 69 259 259 HOH HOH A . E 4 HOH 70 260 260 HOH HOH A . E 4 HOH 71 266 266 HOH HOH A . E 4 HOH 72 267 267 HOH HOH A . E 4 HOH 73 268 268 HOH HOH A . E 4 HOH 74 269 269 HOH HOH A . E 4 HOH 75 270 270 HOH HOH A . E 4 HOH 76 273 273 HOH HOH A . E 4 HOH 77 274 274 HOH HOH A . E 4 HOH 78 275 275 HOH HOH A . E 4 HOH 79 276 276 HOH HOH A . E 4 HOH 80 277 277 HOH HOH A . E 4 HOH 81 278 278 HOH HOH A . E 4 HOH 82 279 279 HOH HOH A . E 4 HOH 83 280 280 HOH HOH A . E 4 HOH 84 281 281 HOH HOH A . E 4 HOH 85 282 282 HOH HOH A . E 4 HOH 86 283 283 HOH HOH A . E 4 HOH 87 285 285 HOH HOH A . E 4 HOH 88 286 286 HOH HOH A . E 4 HOH 89 288 288 HOH HOH A . E 4 HOH 90 290 290 HOH HOH A . E 4 HOH 91 292 292 HOH HOH A . E 4 HOH 92 293 293 HOH HOH A . E 4 HOH 93 295 295 HOH HOH A . E 4 HOH 94 297 297 HOH HOH A . E 4 HOH 95 299 299 HOH HOH A . E 4 HOH 96 300 300 HOH HOH A . E 4 HOH 97 302 302 HOH HOH A . E 4 HOH 98 311 311 HOH HOH A . E 4 HOH 99 314 314 HOH HOH A . E 4 HOH 100 318 318 HOH HOH A . E 4 HOH 101 319 319 HOH HOH A . E 4 HOH 102 320 320 HOH HOH A . E 4 HOH 103 346 346 HOH HOH A . E 4 HOH 104 347 347 HOH HOH A . E 4 HOH 105 348 348 HOH HOH A . E 4 HOH 106 354 354 HOH HOH A . E 4 HOH 107 357 357 HOH HOH A . E 4 HOH 108 358 358 HOH HOH A . E 4 HOH 109 360 360 HOH HOH A . E 4 HOH 110 388 388 HOH HOH A . E 4 HOH 111 391 391 HOH HOH A . E 4 HOH 112 393 393 HOH HOH A . E 4 HOH 113 398 398 HOH HOH A . E 4 HOH 114 400 400 HOH HOH A . E 4 HOH 115 419 419 HOH HOH A . E 4 HOH 116 421 421 HOH HOH A . E 4 HOH 117 423 423 HOH HOH A . E 4 HOH 118 425 425 HOH HOH A . E 4 HOH 119 426 426 HOH HOH A . E 4 HOH 120 427 427 HOH HOH A . E 4 HOH 121 430 430 HOH HOH A . E 4 HOH 122 445 445 HOH HOH A . E 4 HOH 123 454 454 HOH HOH A . E 4 HOH 124 478 478 HOH HOH A . E 4 HOH 125 492 492 HOH HOH A . # _software.name TNT _software.classification refinement _software.version . _software.citation_id ? _software.pdbx_ordinal 1 # _cell.entry_id 253L _cell.length_a 61.200 _cell.length_b 61.200 _cell.length_c 96.600 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 6 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 253L _symmetry.space_group_name_H-M 'P 32 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 154 _symmetry.space_group_name_Hall ? # _exptl.entry_id 253L _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number ? # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.81 _exptl_crystal.density_percent_sol 56.22 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _diffrn.id 1 _diffrn.ambient_temp ? _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'AREA DETECTOR' _diffrn_detector.type 'XUONG-HAMLIN MULTIWIRE' _diffrn_detector.pdbx_collection_date ? _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'GRAPHITE(002)' _diffrn_radiation.pdbx_diffrn_protocol ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type 'RIGAKU RUH2R' _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength 1.5418 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 253L _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30. _reflns.d_resolution_high 1.75 _reflns.number_obs 18515 _reflns.number_all ? _reflns.percent_possible_obs ? _reflns.pdbx_Rmerge_I_obs 0.0453000 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 8.45 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy ? _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _refine.entry_id 253L _refine.ls_number_reflns_obs 13427 _refine.ls_number_reflns_all 13427 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 30. _refine.ls_d_res_high 2.0 _refine.ls_percent_reflns_obs 88. _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1640000 _refine.ls_R_factor_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol 1.14 _refine.solvent_model_param_bsol 605. _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ? _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.overall_SU_B ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_redundancy_reflns_obs ? _refine.pdbx_overall_phase_error ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1306 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 6 _refine_hist.number_atoms_solvent 125 _refine_hist.number_atoms_total 1437 _refine_hist.d_res_high 2.0 _refine_hist.d_res_low 30. # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function t_bond_d 0.017 ? ? 1325 'X-RAY DIFFRACTION' ? t_angle_deg 2.415 ? ? 1580 'X-RAY DIFFRACTION' ? t_dihedral_angle_d 15.7 ? ? 808 'X-RAY DIFFRACTION' ? t_incorr_chiral_ct 0 ? ? ? 'X-RAY DIFFRACTION' ? t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_trig_c_planes 0.018 ? ? 34 'X-RAY DIFFRACTION' ? t_gen_planes 0.014 ? ? 191 'X-RAY DIFFRACTION' ? t_it 4.47 ? ? 13322 'X-RAY DIFFRACTION' ? t_nbd 0.033 ? ? 25 'X-RAY DIFFRACTION' ? # _pdbx_refine.entry_id 253L _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff 0.1640000 _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.free_R_error_no_cutoff ? # _database_PDB_matrix.entry_id 253L _database_PDB_matrix.origx[1][1] 0.866025 _database_PDB_matrix.origx[1][2] 0.500000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx_vector[1] 0.000000 _database_PDB_matrix.origx[2][1] -0.500000 _database_PDB_matrix.origx[2][2] 0.866025 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx_vector[2] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[3] 0.000000 # _struct.entry_id 253L _struct.title LYSOZYME _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 253L _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'HYDROLASE, GLYCOSIDASE, BACTERIOLYTIC ENZYME' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code LYS_BPT4 _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession P00720 _struct_ref.pdbx_align_begin 1 _struct_ref.pdbx_seq_one_letter_code ;MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILR NAKLKPVYDSLDAVRRCALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDA YKNL ; _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 253L _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 164 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P00720 _struct_ref_seq.db_align_beg 1 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 164 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 164 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 253L ALA A 20 ? UNP P00720 ASP 20 'engineered mutation' 20 1 1 253L THR A 54 ? UNP P00720 CYS 54 'engineered mutation' 54 2 1 253L ALA A 97 ? UNP P00720 CYS 97 'engineered mutation' 97 3 # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ILE A 3 ? GLU A 11 ? ILE A 3 GLU A 11 1 ? 9 HELX_P HELX_P2 2 LEU A 39 ? ILE A 50 ? LEU A 39 ILE A 50 1 ? 12 HELX_P HELX_P3 3 LYS A 60 ? ARG A 80 ? LYS A 60 ARG A 80 1 ? 21 HELX_P HELX_P4 4 LEU A 84 ? SER A 90 ? LEU A 84 SER A 90 1 ? 7 HELX_P HELX_P5 5 ALA A 93 ? GLY A 113 ? ALA A 93 GLY A 113 1 ? 21 HELX_P HELX_P6 6 THR A 115 ? GLN A 122 ? THR A 115 GLN A 122 1 ? 8 HELX_P HELX_P7 7 TRP A 126 ? ALA A 134 ? TRP A 126 ALA A 134 1 ? 9 HELX_P HELX_P8 8 ARG A 137 ? GLN A 141 ? ARG A 137 GLN A 141 1 ? 5 HELX_P HELX_P9 9 PRO A 143 ? THR A 155 ? PRO A 143 THR A 155 1 ? 13 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # _struct_sheet.id A _struct_sheet.type ? _struct_sheet.number_strands 2 _struct_sheet.details ? # _struct_sheet_order.sheet_id A _struct_sheet_order.range_id_1 1 _struct_sheet_order.range_id_2 2 _struct_sheet_order.offset ? _struct_sheet_order.sense anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 TYR A 25 ? ILE A 27 ? TYR A 25 ILE A 27 A 2 HIS A 31 ? THR A 34 ? HIS A 31 THR A 34 # _pdbx_struct_sheet_hbond.sheet_id A _pdbx_struct_sheet_hbond.range_id_1 1 _pdbx_struct_sheet_hbond.range_id_2 2 _pdbx_struct_sheet_hbond.range_1_label_atom_id O _pdbx_struct_sheet_hbond.range_1_label_comp_id TYR _pdbx_struct_sheet_hbond.range_1_label_asym_id A _pdbx_struct_sheet_hbond.range_1_label_seq_id 25 _pdbx_struct_sheet_hbond.range_1_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_1_auth_atom_id O _pdbx_struct_sheet_hbond.range_1_auth_comp_id TYR _pdbx_struct_sheet_hbond.range_1_auth_asym_id A _pdbx_struct_sheet_hbond.range_1_auth_seq_id 25 _pdbx_struct_sheet_hbond.range_2_label_atom_id N _pdbx_struct_sheet_hbond.range_2_label_comp_id THR _pdbx_struct_sheet_hbond.range_2_label_asym_id A _pdbx_struct_sheet_hbond.range_2_label_seq_id 34 _pdbx_struct_sheet_hbond.range_2_PDB_ins_code ? _pdbx_struct_sheet_hbond.range_2_auth_atom_id N _pdbx_struct_sheet_hbond.range_2_auth_comp_id THR _pdbx_struct_sheet_hbond.range_2_auth_asym_id A _pdbx_struct_sheet_hbond.range_2_auth_seq_id 34 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CL 173 ? 4 'BINDING SITE FOR RESIDUE CL A 173' AC2 Software A CL 178 ? 1 'BINDING SITE FOR RESIDUE CL A 178' AC3 Software A BME 170 ? 3 'BINDING SITE FOR RESIDUE BME A 170' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 THR A 142 ? THR A 142 . ? 1_555 ? 2 AC1 4 ASN A 144 ? ASN A 144 . ? 1_555 ? 3 AC1 4 ARG A 145 ? ARG A 145 . ? 1_555 ? 4 AC1 4 HOH E . ? HOH A 209 . ? 1_555 ? 5 AC2 1 LYS A 135 ? LYS A 135 . ? 3_665 ? 6 AC3 3 ASP A 72 ? ASP A 72 . ? 5_555 ? 7 AC3 3 ILE A 100 ? ILE A 100 . ? 1_555 ? 8 AC3 3 HOH E . ? HOH A 358 . ? 1_555 ? # loop_ _pdbx_validate_rmsd_bond.id _pdbx_validate_rmsd_bond.PDB_model_num _pdbx_validate_rmsd_bond.auth_atom_id_1 _pdbx_validate_rmsd_bond.auth_asym_id_1 _pdbx_validate_rmsd_bond.auth_comp_id_1 _pdbx_validate_rmsd_bond.auth_seq_id_1 _pdbx_validate_rmsd_bond.PDB_ins_code_1 _pdbx_validate_rmsd_bond.label_alt_id_1 _pdbx_validate_rmsd_bond.auth_atom_id_2 _pdbx_validate_rmsd_bond.auth_asym_id_2 _pdbx_validate_rmsd_bond.auth_comp_id_2 _pdbx_validate_rmsd_bond.auth_seq_id_2 _pdbx_validate_rmsd_bond.PDB_ins_code_2 _pdbx_validate_rmsd_bond.label_alt_id_2 _pdbx_validate_rmsd_bond.bond_value _pdbx_validate_rmsd_bond.bond_target_value _pdbx_validate_rmsd_bond.bond_deviation _pdbx_validate_rmsd_bond.bond_standard_deviation _pdbx_validate_rmsd_bond.linker_flag 1 1 CD A GLU 5 ? ? OE2 A GLU 5 ? ? 1.321 1.252 0.069 0.011 N 2 1 CD A GLU 22 ? ? OE1 A GLU 22 ? ? 1.376 1.252 0.124 0.011 N 3 1 CD A GLU 62 ? ? OE2 A GLU 62 ? ? 1.324 1.252 0.072 0.011 N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 NE A ARG 8 ? ? CZ A ARG 8 ? ? NH1 A ARG 8 ? ? 123.91 120.30 3.61 0.50 N 2 1 CB A LYS 16 ? ? CA A LYS 16 ? ? C A LYS 16 ? ? 90.41 110.40 -19.99 2.00 N 3 1 CB A ASP 47 ? ? CG A ASP 47 ? ? OD1 A ASP 47 ? ? 127.42 118.30 9.12 0.90 N 4 1 CB A ASP 47 ? ? CG A ASP 47 ? ? OD2 A ASP 47 ? ? 110.21 118.30 -8.09 0.90 N 5 1 NE A ARG 52 ? ? CZ A ARG 52 ? ? NH1 A ARG 52 ? ? 123.51 120.30 3.21 0.50 N 6 1 CB A ASP 61 ? ? CG A ASP 61 ? ? OD1 A ASP 61 ? ? 110.81 118.30 -7.49 0.90 N 7 1 CB A ASP 61 ? ? CG A ASP 61 ? ? OD2 A ASP 61 ? ? 123.99 118.30 5.69 0.90 N 8 1 CB A ASP 70 ? ? CG A ASP 70 ? ? OD2 A ASP 70 ? ? 110.94 118.30 -7.36 0.90 N 9 1 NE A ARG 95 ? ? CZ A ARG 95 ? ? NH2 A ARG 95 ? ? 116.72 120.30 -3.58 0.50 N 10 1 CG1 A VAL 103 ? ? CB A VAL 103 ? ? CG2 A VAL 103 ? ? 99.38 110.90 -11.52 1.60 N 11 1 NE A ARG 125 ? ? CZ A ARG 125 ? ? NH2 A ARG 125 ? ? 117.25 120.30 -3.05 0.50 N 12 1 CB A ASP 127 ? ? CG A ASP 127 ? ? OD1 A ASP 127 ? ? 125.29 118.30 6.99 0.90 N 13 1 NE A ARG 137 ? ? CZ A ARG 137 ? ? NH1 A ARG 137 ? ? 125.37 120.30 5.07 0.50 N 14 1 CA A THR 142 ? ? CB A THR 142 ? ? CG2 A THR 142 ? ? 103.80 112.40 -8.60 1.40 N 15 1 CD A ARG 145 ? ? NE A ARG 145 ? ? CZ A ARG 145 ? ? 114.98 123.60 -8.62 1.40 N 16 1 CA A THR 155 ? ? CB A THR 155 ? ? CG2 A THR 155 ? ? 102.79 112.40 -9.61 1.40 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ILE A 29 ? ? -103.44 78.17 2 1 ASN A 163 ? ? 126.40 -39.97 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.pdbx_ordinal ALA N N N N 1 ALA CA C N S 2 ALA C C N N 3 ALA O O N N 4 ALA CB C N N 5 ALA OXT O N N 6 ALA H H N N 7 ALA H2 H N N 8 ALA HA H N N 9 ALA HB1 H N N 10 ALA HB2 H N N 11 ALA HB3 H N N 12 ALA HXT H N N 13 ARG N N N N 14 ARG CA C N S 15 ARG C C N N 16 ARG O O N N 17 ARG CB C N N 18 ARG CG C N N 19 ARG CD C N N 20 ARG NE N N N 21 ARG CZ C N N 22 ARG NH1 N N N 23 ARG NH2 N N N 24 ARG OXT O N N 25 ARG H H N N 26 ARG H2 H N N 27 ARG HA H N N 28 ARG HB2 H N N 29 ARG HB3 H N N 30 ARG HG2 H N N 31 ARG HG3 H N N 32 ARG HD2 H N N 33 ARG HD3 H N N 34 ARG HE H N N 35 ARG HH11 H N N 36 ARG HH12 H N N 37 ARG HH21 H N N 38 ARG HH22 H N N 39 ARG HXT H N N 40 ASN N N N N 41 ASN CA C N S 42 ASN C C N N 43 ASN O O N N 44 ASN CB C N N 45 ASN CG C N N 46 ASN OD1 O N N 47 ASN ND2 N N N 48 ASN OXT O N N 49 ASN H H N N 50 ASN H2 H N N 51 ASN HA H N N 52 ASN HB2 H N N 53 ASN HB3 H N N 54 ASN HD21 H N N 55 ASN HD22 H N N 56 ASN HXT H N N 57 ASP N N N N 58 ASP CA C N S 59 ASP C C N N 60 ASP O O N N 61 ASP CB C N N 62 ASP CG C N N 63 ASP OD1 O N N 64 ASP OD2 O N N 65 ASP OXT O N N 66 ASP H H N N 67 ASP H2 H N N 68 ASP HA H N N 69 ASP HB2 H N N 70 ASP HB3 H N N 71 ASP HD2 H N N 72 ASP HXT H N N 73 BME C1 C N N 74 BME C2 C N N 75 BME O1 O N N 76 BME S2 S N N 77 BME H11 H N N 78 BME H12 H N N 79 BME H21 H N N 80 BME H22 H N N 81 BME HO1 H N N 82 BME HS2 H N N 83 CL CL CL N N 84 CYS N N N N 85 CYS CA C N R 86 CYS C C N N 87 CYS O O N N 88 CYS CB C N N 89 CYS SG S N N 90 CYS OXT O N N 91 CYS H H N N 92 CYS H2 H N N 93 CYS HA H N N 94 CYS HB2 H N N 95 CYS HB3 H N N 96 CYS HG H N N 97 CYS HXT H N N 98 GLN N N N N 99 GLN CA C N S 100 GLN C C N N 101 GLN O O N N 102 GLN CB C N N 103 GLN CG C N N 104 GLN CD C N N 105 GLN OE1 O N N 106 GLN NE2 N N N 107 GLN OXT O N N 108 GLN H H N N 109 GLN H2 H N N 110 GLN HA H N N 111 GLN HB2 H N N 112 GLN HB3 H N N 113 GLN HG2 H N N 114 GLN HG3 H N N 115 GLN HE21 H N N 116 GLN HE22 H N N 117 GLN HXT H N N 118 GLU N N N N 119 GLU CA C N S 120 GLU C C N N 121 GLU O O N N 122 GLU CB C N N 123 GLU CG C N N 124 GLU CD C N N 125 GLU OE1 O N N 126 GLU OE2 O N N 127 GLU OXT O N N 128 GLU H H N N 129 GLU H2 H N N 130 GLU HA H N N 131 GLU HB2 H N N 132 GLU HB3 H N N 133 GLU HG2 H N N 134 GLU HG3 H N N 135 GLU HE2 H N N 136 GLU HXT H N N 137 GLY N N N N 138 GLY CA C N N 139 GLY C C N N 140 GLY O O N N 141 GLY OXT O N N 142 GLY H H N N 143 GLY H2 H N N 144 GLY HA2 H N N 145 GLY HA3 H N N 146 GLY HXT H N N 147 HIS N N N N 148 HIS CA C N S 149 HIS C C N N 150 HIS O O N N 151 HIS CB C N N 152 HIS CG C Y N 153 HIS ND1 N Y N 154 HIS CD2 C Y N 155 HIS CE1 C Y N 156 HIS NE2 N Y N 157 HIS OXT O N N 158 HIS H H N N 159 HIS H2 H N N 160 HIS HA H N N 161 HIS HB2 H N N 162 HIS HB3 H N N 163 HIS HD1 H N N 164 HIS HD2 H N N 165 HIS HE1 H N N 166 HIS HE2 H N N 167 HIS HXT H N N 168 HOH O O N N 169 HOH H1 H N N 170 HOH H2 H N N 171 ILE N N N N 172 ILE CA C N S 173 ILE C C N N 174 ILE O O N N 175 ILE CB C N S 176 ILE CG1 C N N 177 ILE CG2 C N N 178 ILE CD1 C N N 179 ILE OXT O N N 180 ILE H H N N 181 ILE H2 H N N 182 ILE HA H N N 183 ILE HB H N N 184 ILE HG12 H N N 185 ILE HG13 H N N 186 ILE HG21 H N N 187 ILE HG22 H N N 188 ILE HG23 H N N 189 ILE HD11 H N N 190 ILE HD12 H N N 191 ILE HD13 H N N 192 ILE HXT H N N 193 LEU N N N N 194 LEU CA C N S 195 LEU C C N N 196 LEU O O N N 197 LEU CB C N N 198 LEU CG C N N 199 LEU CD1 C N N 200 LEU CD2 C N N 201 LEU OXT O N N 202 LEU H H N N 203 LEU H2 H N N 204 LEU HA H N N 205 LEU HB2 H N N 206 LEU HB3 H N N 207 LEU HG H N N 208 LEU HD11 H N N 209 LEU HD12 H N N 210 LEU HD13 H N N 211 LEU HD21 H N N 212 LEU HD22 H N N 213 LEU HD23 H N N 214 LEU HXT H N N 215 LYS N N N N 216 LYS CA C N S 217 LYS C C N N 218 LYS O O N N 219 LYS CB C N N 220 LYS CG C N N 221 LYS CD C N N 222 LYS CE C N N 223 LYS NZ N N N 224 LYS OXT O N N 225 LYS H H N N 226 LYS H2 H N N 227 LYS HA H N N 228 LYS HB2 H N N 229 LYS HB3 H N N 230 LYS HG2 H N N 231 LYS HG3 H N N 232 LYS HD2 H N N 233 LYS HD3 H N N 234 LYS HE2 H N N 235 LYS HE3 H N N 236 LYS HZ1 H N N 237 LYS HZ2 H N N 238 LYS HZ3 H N N 239 LYS HXT H N N 240 MET N N N N 241 MET CA C N S 242 MET C C N N 243 MET O O N N 244 MET CB C N N 245 MET CG C N N 246 MET SD S N N 247 MET CE C N N 248 MET OXT O N N 249 MET H H N N 250 MET H2 H N N 251 MET HA H N N 252 MET HB2 H N N 253 MET HB3 H N N 254 MET HG2 H N N 255 MET HG3 H N N 256 MET HE1 H N N 257 MET HE2 H N N 258 MET HE3 H N N 259 MET HXT H N N 260 PHE N N N N 261 PHE CA C N S 262 PHE C C N N 263 PHE O O N N 264 PHE CB C N N 265 PHE CG C Y N 266 PHE CD1 C Y N 267 PHE CD2 C Y N 268 PHE CE1 C Y N 269 PHE CE2 C Y N 270 PHE CZ C Y N 271 PHE OXT O N N 272 PHE H H N N 273 PHE H2 H N N 274 PHE HA H N N 275 PHE HB2 H N N 276 PHE HB3 H N N 277 PHE HD1 H N N 278 PHE HD2 H N N 279 PHE HE1 H N N 280 PHE HE2 H N N 281 PHE HZ H N N 282 PHE HXT H N N 283 PRO N N N N 284 PRO CA C N S 285 PRO C C N N 286 PRO O O N N 287 PRO CB C N N 288 PRO CG C N N 289 PRO CD C N N 290 PRO OXT O N N 291 PRO H H N N 292 PRO HA H N N 293 PRO HB2 H N N 294 PRO HB3 H N N 295 PRO HG2 H N N 296 PRO HG3 H N N 297 PRO HD2 H N N 298 PRO HD3 H N N 299 PRO HXT H N N 300 SER N N N N 301 SER CA C N S 302 SER C C N N 303 SER O O N N 304 SER CB C N N 305 SER OG O N N 306 SER OXT O N N 307 SER H H N N 308 SER H2 H N N 309 SER HA H N N 310 SER HB2 H N N 311 SER HB3 H N N 312 SER HG H N N 313 SER HXT H N N 314 THR N N N N 315 THR CA C N S 316 THR C C N N 317 THR O O N N 318 THR CB C N R 319 THR OG1 O N N 320 THR CG2 C N N 321 THR OXT O N N 322 THR H H N N 323 THR H2 H N N 324 THR HA H N N 325 THR HB H N N 326 THR HG1 H N N 327 THR HG21 H N N 328 THR HG22 H N N 329 THR HG23 H N N 330 THR HXT H N N 331 TRP N N N N 332 TRP CA C N S 333 TRP C C N N 334 TRP O O N N 335 TRP CB C N N 336 TRP CG C Y N 337 TRP CD1 C Y N 338 TRP CD2 C Y N 339 TRP NE1 N Y N 340 TRP CE2 C Y N 341 TRP CE3 C Y N 342 TRP CZ2 C Y N 343 TRP CZ3 C Y N 344 TRP CH2 C Y N 345 TRP OXT O N N 346 TRP H H N N 347 TRP H2 H N N 348 TRP HA H N N 349 TRP HB2 H N N 350 TRP HB3 H N N 351 TRP HD1 H N N 352 TRP HE1 H N N 353 TRP HE3 H N N 354 TRP HZ2 H N N 355 TRP HZ3 H N N 356 TRP HH2 H N N 357 TRP HXT H N N 358 TYR N N N N 359 TYR CA C N S 360 TYR C C N N 361 TYR O O N N 362 TYR CB C N N 363 TYR CG C Y N 364 TYR CD1 C Y N 365 TYR CD2 C Y N 366 TYR CE1 C Y N 367 TYR CE2 C Y N 368 TYR CZ C Y N 369 TYR OH O N N 370 TYR OXT O N N 371 TYR H H N N 372 TYR H2 H N N 373 TYR HA H N N 374 TYR HB2 H N N 375 TYR HB3 H N N 376 TYR HD1 H N N 377 TYR HD2 H N N 378 TYR HE1 H N N 379 TYR HE2 H N N 380 TYR HH H N N 381 TYR HXT H N N 382 VAL N N N N 383 VAL CA C N S 384 VAL C C N N 385 VAL O O N N 386 VAL CB C N N 387 VAL CG1 C N N 388 VAL CG2 C N N 389 VAL OXT O N N 390 VAL H H N N 391 VAL H2 H N N 392 VAL HA H N N 393 VAL HB H N N 394 VAL HG11 H N N 395 VAL HG12 H N N 396 VAL HG13 H N N 397 VAL HG21 H N N 398 VAL HG22 H N N 399 VAL HG23 H N N 400 VAL HXT H N N 401 # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal ALA N CA sing N N 1 ALA N H sing N N 2 ALA N H2 sing N N 3 ALA CA C sing N N 4 ALA CA CB sing N N 5 ALA CA HA sing N N 6 ALA C O doub N N 7 ALA C OXT sing N N 8 ALA CB HB1 sing N N 9 ALA CB HB2 sing N N 10 ALA CB HB3 sing N N 11 ALA OXT HXT sing N N 12 ARG N CA sing N N 13 ARG N H sing N N 14 ARG N H2 sing N N 15 ARG CA C sing N N 16 ARG CA CB sing N N 17 ARG CA HA sing N N 18 ARG C O doub N N 19 ARG C OXT sing N N 20 ARG CB CG sing N N 21 ARG CB HB2 sing N N 22 ARG CB HB3 sing N N 23 ARG CG CD sing N N 24 ARG CG HG2 sing N N 25 ARG CG HG3 sing N N 26 ARG CD NE sing N N 27 ARG CD HD2 sing N N 28 ARG CD HD3 sing N N 29 ARG NE CZ sing N N 30 ARG NE HE sing N N 31 ARG CZ NH1 sing N N 32 ARG CZ NH2 doub N N 33 ARG NH1 HH11 sing N N 34 ARG NH1 HH12 sing N N 35 ARG NH2 HH21 sing N N 36 ARG NH2 HH22 sing N N 37 ARG OXT HXT sing N N 38 ASN N CA sing N N 39 ASN N H sing N N 40 ASN N H2 sing N N 41 ASN CA C sing N N 42 ASN CA CB sing N N 43 ASN CA HA sing N N 44 ASN C O doub N N 45 ASN C OXT sing N N 46 ASN CB CG sing N N 47 ASN CB HB2 sing N N 48 ASN CB HB3 sing N N 49 ASN CG OD1 doub N N 50 ASN CG ND2 sing N N 51 ASN ND2 HD21 sing N N 52 ASN ND2 HD22 sing N N 53 ASN OXT HXT sing N N 54 ASP N CA sing N N 55 ASP N H sing N N 56 ASP N H2 sing N N 57 ASP CA C sing N N 58 ASP CA CB sing N N 59 ASP CA HA sing N N 60 ASP C O doub N N 61 ASP C OXT sing N N 62 ASP CB CG sing N N 63 ASP CB HB2 sing N N 64 ASP CB HB3 sing N N 65 ASP CG OD1 doub N N 66 ASP CG OD2 sing N N 67 ASP OD2 HD2 sing N N 68 ASP OXT HXT sing N N 69 BME C1 C2 sing N N 70 BME C1 O1 sing N N 71 BME C1 H11 sing N N 72 BME C1 H12 sing N N 73 BME C2 S2 sing N N 74 BME C2 H21 sing N N 75 BME C2 H22 sing N N 76 BME O1 HO1 sing N N 77 BME S2 HS2 sing N N 78 CYS N CA sing N N 79 CYS N H sing N N 80 CYS N H2 sing N N 81 CYS CA C sing N N 82 CYS CA CB sing N N 83 CYS CA HA sing N N 84 CYS C O doub N N 85 CYS C OXT sing N N 86 CYS CB SG sing N N 87 CYS CB HB2 sing N N 88 CYS CB HB3 sing N N 89 CYS SG HG sing N N 90 CYS OXT HXT sing N N 91 GLN N CA sing N N 92 GLN N H sing N N 93 GLN N H2 sing N N 94 GLN CA C sing N N 95 GLN CA CB sing N N 96 GLN CA HA sing N N 97 GLN C O doub N N 98 GLN C OXT sing N N 99 GLN CB CG sing N N 100 GLN CB HB2 sing N N 101 GLN CB HB3 sing N N 102 GLN CG CD sing N N 103 GLN CG HG2 sing N N 104 GLN CG HG3 sing N N 105 GLN CD OE1 doub N N 106 GLN CD NE2 sing N N 107 GLN NE2 HE21 sing N N 108 GLN NE2 HE22 sing N N 109 GLN OXT HXT sing N N 110 GLU N CA sing N N 111 GLU N H sing N N 112 GLU N H2 sing N N 113 GLU CA C sing N N 114 GLU CA CB sing N N 115 GLU CA HA sing N N 116 GLU C O doub N N 117 GLU C OXT sing N N 118 GLU CB CG sing N N 119 GLU CB HB2 sing N N 120 GLU CB HB3 sing N N 121 GLU CG CD sing N N 122 GLU CG HG2 sing N N 123 GLU CG HG3 sing N N 124 GLU CD OE1 doub N N 125 GLU CD OE2 sing N N 126 GLU OE2 HE2 sing N N 127 GLU OXT HXT sing N N 128 GLY N CA sing N N 129 GLY N H sing N N 130 GLY N H2 sing N N 131 GLY CA C sing N N 132 GLY CA HA2 sing N N 133 GLY CA HA3 sing N N 134 GLY C O doub N N 135 GLY C OXT sing N N 136 GLY OXT HXT sing N N 137 HIS N CA sing N N 138 HIS N H sing N N 139 HIS N H2 sing N N 140 HIS CA C sing N N 141 HIS CA CB sing N N 142 HIS CA HA sing N N 143 HIS C O doub N N 144 HIS C OXT sing N N 145 HIS CB CG sing N N 146 HIS CB HB2 sing N N 147 HIS CB HB3 sing N N 148 HIS CG ND1 sing Y N 149 HIS CG CD2 doub Y N 150 HIS ND1 CE1 doub Y N 151 HIS ND1 HD1 sing N N 152 HIS CD2 NE2 sing Y N 153 HIS CD2 HD2 sing N N 154 HIS CE1 NE2 sing Y N 155 HIS CE1 HE1 sing N N 156 HIS NE2 HE2 sing N N 157 HIS OXT HXT sing N N 158 HOH O H1 sing N N 159 HOH O H2 sing N N 160 ILE N CA sing N N 161 ILE N H sing N N 162 ILE N H2 sing N N 163 ILE CA C sing N N 164 ILE CA CB sing N N 165 ILE CA HA sing N N 166 ILE C O doub N N 167 ILE C OXT sing N N 168 ILE CB CG1 sing N N 169 ILE CB CG2 sing N N 170 ILE CB HB sing N N 171 ILE CG1 CD1 sing N N 172 ILE CG1 HG12 sing N N 173 ILE CG1 HG13 sing N N 174 ILE CG2 HG21 sing N N 175 ILE CG2 HG22 sing N N 176 ILE CG2 HG23 sing N N 177 ILE CD1 HD11 sing N N 178 ILE CD1 HD12 sing N N 179 ILE CD1 HD13 sing N N 180 ILE OXT HXT sing N N 181 LEU N CA sing N N 182 LEU N H sing N N 183 LEU N H2 sing N N 184 LEU CA C sing N N 185 LEU CA CB sing N N 186 LEU CA HA sing N N 187 LEU C O doub N N 188 LEU C OXT sing N N 189 LEU CB CG sing N N 190 LEU CB HB2 sing N N 191 LEU CB HB3 sing N N 192 LEU CG CD1 sing N N 193 LEU CG CD2 sing N N 194 LEU CG HG sing N N 195 LEU CD1 HD11 sing N N 196 LEU CD1 HD12 sing N N 197 LEU CD1 HD13 sing N N 198 LEU CD2 HD21 sing N N 199 LEU CD2 HD22 sing N N 200 LEU CD2 HD23 sing N N 201 LEU OXT HXT sing N N 202 LYS N CA sing N N 203 LYS N H sing N N 204 LYS N H2 sing N N 205 LYS CA C sing N N 206 LYS CA CB sing N N 207 LYS CA HA sing N N 208 LYS C O doub N N 209 LYS C OXT sing N N 210 LYS CB CG sing N N 211 LYS CB HB2 sing N N 212 LYS CB HB3 sing N N 213 LYS CG CD sing N N 214 LYS CG HG2 sing N N 215 LYS CG HG3 sing N N 216 LYS CD CE sing N N 217 LYS CD HD2 sing N N 218 LYS CD HD3 sing N N 219 LYS CE NZ sing N N 220 LYS CE HE2 sing N N 221 LYS CE HE3 sing N N 222 LYS NZ HZ1 sing N N 223 LYS NZ HZ2 sing N N 224 LYS NZ HZ3 sing N N 225 LYS OXT HXT sing N N 226 MET N CA sing N N 227 MET N H sing N N 228 MET N H2 sing N N 229 MET CA C sing N N 230 MET CA CB sing N N 231 MET CA HA sing N N 232 MET C O doub N N 233 MET C OXT sing N N 234 MET CB CG sing N N 235 MET CB HB2 sing N N 236 MET CB HB3 sing N N 237 MET CG SD sing N N 238 MET CG HG2 sing N N 239 MET CG HG3 sing N N 240 MET SD CE sing N N 241 MET CE HE1 sing N N 242 MET CE HE2 sing N N 243 MET CE HE3 sing N N 244 MET OXT HXT sing N N 245 PHE N CA sing N N 246 PHE N H sing N N 247 PHE N H2 sing N N 248 PHE CA C sing N N 249 PHE CA CB sing N N 250 PHE CA HA sing N N 251 PHE C O doub N N 252 PHE C OXT sing N N 253 PHE CB CG sing N N 254 PHE CB HB2 sing N N 255 PHE CB HB3 sing N N 256 PHE CG CD1 doub Y N 257 PHE CG CD2 sing Y N 258 PHE CD1 CE1 sing Y N 259 PHE CD1 HD1 sing N N 260 PHE CD2 CE2 doub Y N 261 PHE CD2 HD2 sing N N 262 PHE CE1 CZ doub Y N 263 PHE CE1 HE1 sing N N 264 PHE CE2 CZ sing Y N 265 PHE CE2 HE2 sing N N 266 PHE CZ HZ sing N N 267 PHE OXT HXT sing N N 268 PRO N CA sing N N 269 PRO N CD sing N N 270 PRO N H sing N N 271 PRO CA C sing N N 272 PRO CA CB sing N N 273 PRO CA HA sing N N 274 PRO C O doub N N 275 PRO C OXT sing N N 276 PRO CB CG sing N N 277 PRO CB HB2 sing N N 278 PRO CB HB3 sing N N 279 PRO CG CD sing N N 280 PRO CG HG2 sing N N 281 PRO CG HG3 sing N N 282 PRO CD HD2 sing N N 283 PRO CD HD3 sing N N 284 PRO OXT HXT sing N N 285 SER N CA sing N N 286 SER N H sing N N 287 SER N H2 sing N N 288 SER CA C sing N N 289 SER CA CB sing N N 290 SER CA HA sing N N 291 SER C O doub N N 292 SER C OXT sing N N 293 SER CB OG sing N N 294 SER CB HB2 sing N N 295 SER CB HB3 sing N N 296 SER OG HG sing N N 297 SER OXT HXT sing N N 298 THR N CA sing N N 299 THR N H sing N N 300 THR N H2 sing N N 301 THR CA C sing N N 302 THR CA CB sing N N 303 THR CA HA sing N N 304 THR C O doub N N 305 THR C OXT sing N N 306 THR CB OG1 sing N N 307 THR CB CG2 sing N N 308 THR CB HB sing N N 309 THR OG1 HG1 sing N N 310 THR CG2 HG21 sing N N 311 THR CG2 HG22 sing N N 312 THR CG2 HG23 sing N N 313 THR OXT HXT sing N N 314 TRP N CA sing N N 315 TRP N H sing N N 316 TRP N H2 sing N N 317 TRP CA C sing N N 318 TRP CA CB sing N N 319 TRP CA HA sing N N 320 TRP C O doub N N 321 TRP C OXT sing N N 322 TRP CB CG sing N N 323 TRP CB HB2 sing N N 324 TRP CB HB3 sing N N 325 TRP CG CD1 doub Y N 326 TRP CG CD2 sing Y N 327 TRP CD1 NE1 sing Y N 328 TRP CD1 HD1 sing N N 329 TRP CD2 CE2 doub Y N 330 TRP CD2 CE3 sing Y N 331 TRP NE1 CE2 sing Y N 332 TRP NE1 HE1 sing N N 333 TRP CE2 CZ2 sing Y N 334 TRP CE3 CZ3 doub Y N 335 TRP CE3 HE3 sing N N 336 TRP CZ2 CH2 doub Y N 337 TRP CZ2 HZ2 sing N N 338 TRP CZ3 CH2 sing Y N 339 TRP CZ3 HZ3 sing N N 340 TRP CH2 HH2 sing N N 341 TRP OXT HXT sing N N 342 TYR N CA sing N N 343 TYR N H sing N N 344 TYR N H2 sing N N 345 TYR CA C sing N N 346 TYR CA CB sing N N 347 TYR CA HA sing N N 348 TYR C O doub N N 349 TYR C OXT sing N N 350 TYR CB CG sing N N 351 TYR CB HB2 sing N N 352 TYR CB HB3 sing N N 353 TYR CG CD1 doub Y N 354 TYR CG CD2 sing Y N 355 TYR CD1 CE1 sing Y N 356 TYR CD1 HD1 sing N N 357 TYR CD2 CE2 doub Y N 358 TYR CD2 HD2 sing N N 359 TYR CE1 CZ doub Y N 360 TYR CE1 HE1 sing N N 361 TYR CE2 CZ sing Y N 362 TYR CE2 HE2 sing N N 363 TYR CZ OH sing N N 364 TYR OH HH sing N N 365 TYR OXT HXT sing N N 366 VAL N CA sing N N 367 VAL N H sing N N 368 VAL N H2 sing N N 369 VAL CA C sing N N 370 VAL CA CB sing N N 371 VAL CA HA sing N N 372 VAL C O doub N N 373 VAL C OXT sing N N 374 VAL CB CG1 sing N N 375 VAL CB CG2 sing N N 376 VAL CB HB sing N N 377 VAL CG1 HG11 sing N N 378 VAL CG1 HG12 sing N N 379 VAL CG1 HG13 sing N N 380 VAL CG2 HG21 sing N N 381 VAL CG2 HG22 sing N N 382 VAL CG2 HG23 sing N N 383 VAL OXT HXT sing N N 384 # _atom_sites.entry_id 253L _atom_sites.fract_transf_matrix[1][1] 0.016340 _atom_sites.fract_transf_matrix[1][2] 0.009434 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_vector[1] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.018868 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_vector[2] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.010352 _atom_sites.fract_transf_vector[3] 0.000000 # loop_ _atom_type.symbol C CL N O S # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 1 1 ? 44.165 -3.210 8.890 1.00 24.11 ? 1 MET A N 1 ATOM 2 C CA . MET A 1 1 ? 43.677 -1.876 8.956 1.00 18.99 ? 1 MET A CA 1 ATOM 3 C C . MET A 1 1 ? 42.267 -1.944 9.506 1.00 12.36 ? 1 MET A C 1 ATOM 4 O O . MET A 1 1 ? 41.577 -2.924 9.294 1.00 14.24 ? 1 MET A O 1 ATOM 5 C CB . MET A 1 1 ? 43.824 -1.300 7.529 1.00 21.31 ? 1 MET A CB 1 ATOM 6 C CG . MET A 1 1 ? 43.211 0.070 7.288 1.00 24.67 ? 1 MET A CG 1 ATOM 7 S SD . MET A 1 1 ? 44.233 1.416 7.865 1.00 33.10 ? 1 MET A SD 1 ATOM 8 C CE . MET A 1 1 ? 45.700 0.920 6.949 1.00 29.83 ? 1 MET A CE 1 ATOM 9 N N . ASN A 1 2 ? 41.864 -0.894 10.193 1.00 10.91 ? 2 ASN A N 1 ATOM 10 C CA . ASN A 1 2 ? 40.554 -0.722 10.706 1.00 9.64 ? 2 ASN A CA 1 ATOM 11 C C . ASN A 1 2 ? 40.195 0.745 10.709 1.00 4.94 ? 2 ASN A C 1 ATOM 12 O O . ASN A 1 2 ? 40.977 1.669 10.476 1.00 12.99 ? 2 ASN A O 1 ATOM 13 C CB . ASN A 1 2 ? 40.324 -1.428 12.072 1.00 12.24 ? 2 ASN A CB 1 ATOM 14 C CG . ASN A 1 2 ? 41.312 -0.956 13.098 1.00 16.03 ? 2 ASN A CG 1 ATOM 15 O OD1 . ASN A 1 2 ? 41.360 0.264 13.394 1.00 12.68 ? 2 ASN A OD1 1 ATOM 16 N ND2 . ASN A 1 2 ? 42.196 -1.852 13.517 1.00 15.27 ? 2 ASN A ND2 1 ATOM 17 N N . ILE A 1 3 ? 38.966 1.001 11.142 1.00 6.11 ? 3 ILE A N 1 ATOM 18 C CA . ILE A 1 3 ? 38.457 2.345 11.189 1.00 8.77 ? 3 ILE A CA 1 ATOM 19 C C . ILE A 1 3 ? 39.266 3.294 12.071 1.00 8.83 ? 3 ILE A C 1 ATOM 20 O O . ILE A 1 3 ? 39.390 4.493 11.794 1.00 10.30 ? 3 ILE A O 1 ATOM 21 C CB . ILE A 1 3 ? 36.941 2.350 11.500 1.00 14.52 ? 3 ILE A CB 1 ATOM 22 C CG1 . ILE A 1 3 ? 36.342 3.758 11.454 1.00 6.79 ? 3 ILE A CG1 1 ATOM 23 C CG2 . ILE A 1 3 ? 36.648 1.887 12.928 1.00 8.93 ? 3 ILE A CG2 1 ATOM 24 C CD1 . ILE A 1 3 ? 36.522 4.544 10.131 1.00 7.31 ? 3 ILE A CD1 1 ATOM 25 N N . PHE A 1 4 ? 39.811 2.767 13.179 1.00 8.01 ? 4 PHE A N 1 ATOM 26 C CA . PHE A 1 4 ? 40.576 3.649 14.061 1.00 8.81 ? 4 PHE A CA 1 ATOM 27 C C . PHE A 1 4 ? 41.889 4.056 13.431 1.00 10.62 ? 4 PHE A C 1 ATOM 28 O O . PHE A 1 4 ? 42.342 5.211 13.497 1.00 9.08 ? 4 PHE A O 1 ATOM 29 C CB . PHE A 1 4 ? 40.836 2.964 15.421 1.00 8.52 ? 4 PHE A CB 1 ATOM 30 C CG . PHE A 1 4 ? 39.567 2.862 16.281 1.00 13.58 ? 4 PHE A CG 1 ATOM 31 C CD1 . PHE A 1 4 ? 38.695 1.762 16.186 1.00 17.52 ? 4 PHE A CD1 1 ATOM 32 C CD2 . PHE A 1 4 ? 39.225 3.907 17.152 1.00 18.70 ? 4 PHE A CD2 1 ATOM 33 C CE1 . PHE A 1 4 ? 37.528 1.654 16.938 1.00 16.72 ? 4 PHE A CE1 1 ATOM 34 C CE2 . PHE A 1 4 ? 38.064 3.830 17.927 1.00 20.04 ? 4 PHE A CE2 1 ATOM 35 C CZ . PHE A 1 4 ? 37.239 2.702 17.822 1.00 19.39 ? 4 PHE A CZ 1 ATOM 36 N N . GLU A 1 5 ? 42.549 3.067 12.858 1.00 8.62 ? 5 GLU A N 1 ATOM 37 C CA . GLU A 1 5 ? 43.830 3.319 12.220 1.00 11.76 ? 5 GLU A CA 1 ATOM 38 C C . GLU A 1 5 ? 43.616 4.211 11.037 1.00 15.03 ? 5 GLU A C 1 ATOM 39 O O . GLU A 1 5 ? 44.358 5.127 10.776 1.00 15.51 ? 5 GLU A O 1 ATOM 40 C CB . GLU A 1 5 ? 44.400 2.010 11.712 1.00 9.53 ? 5 GLU A CB 1 ATOM 41 C CG . GLU A 1 5 ? 44.843 1.120 12.883 1.00 21.39 ? 5 GLU A CG 1 ATOM 42 C CD . GLU A 1 5 ? 45.475 -0.190 12.447 1.00 36.81 ? 5 GLU A CD 1 ATOM 43 O OE1 . GLU A 1 5 ? 45.655 -0.458 11.279 1.00 50.86 ? 5 GLU A OE1 1 ATOM 44 O OE2 . GLU A 1 5 ? 45.839 -0.991 13.432 1.00 60.20 ? 5 GLU A OE2 1 ATOM 45 N N . MET A 1 6 ? 42.531 3.974 10.351 1.00 10.39 ? 6 MET A N 1 ATOM 46 C CA . MET A 1 6 ? 42.179 4.776 9.158 1.00 6.00 ? 6 MET A CA 1 ATOM 47 C C . MET A 1 6 ? 41.953 6.221 9.485 1.00 12.32 ? 6 MET A C 1 ATOM 48 O O . MET A 1 6 ? 42.533 7.110 8.878 1.00 15.38 ? 6 MET A O 1 ATOM 49 C CB . MET A 1 6 ? 40.844 4.286 8.596 1.00 8.20 ? 6 MET A CB 1 ATOM 50 C CG . MET A 1 6 ? 40.474 4.902 7.267 1.00 10.57 ? 6 MET A CG 1 ATOM 51 S SD . MET A 1 6 ? 38.734 4.584 6.907 1.00 12.69 ? 6 MET A SD 1 ATOM 52 C CE . MET A 1 6 ? 38.660 4.739 5.076 1.00 14.95 ? 6 MET A CE 1 ATOM 53 N N . LEU A 1 7 ? 41.074 6.485 10.428 1.00 8.39 ? 7 LEU A N 1 ATOM 54 C CA . LEU A 1 7 ? 40.839 7.869 10.789 1.00 12.01 ? 7 LEU A CA 1 ATOM 55 C C . LEU A 1 7 ? 42.026 8.505 11.499 1.00 16.38 ? 7 LEU A C 1 ATOM 56 O O . LEU A 1 7 ? 42.304 9.710 11.464 1.00 13.60 ? 7 LEU A O 1 ATOM 57 C CB . LEU A 1 7 ? 39.661 7.992 11.734 1.00 10.95 ? 7 LEU A CB 1 ATOM 58 C CG . LEU A 1 7 ? 38.376 7.967 10.946 1.00 13.29 ? 7 LEU A CG 1 ATOM 59 C CD1 . LEU A 1 7 ? 37.392 7.537 11.966 1.00 12.19 ? 7 LEU A CD1 1 ATOM 60 C CD2 . LEU A 1 7 ? 38.073 9.342 10.337 1.00 10.00 ? 7 LEU A CD2 1 ATOM 61 N N . ARG A 1 8 ? 42.804 7.674 12.137 1.00 12.04 ? 8 ARG A N 1 ATOM 62 C CA . ARG A 1 8 ? 43.958 8.243 12.785 1.00 13.64 ? 8 ARG A CA 1 ATOM 63 C C . ARG A 1 8 ? 44.911 8.773 11.740 1.00 18.60 ? 8 ARG A C 1 ATOM 64 O O . ARG A 1 8 ? 45.569 9.753 11.975 1.00 16.95 ? 8 ARG A O 1 ATOM 65 C CB . ARG A 1 8 ? 44.606 7.248 13.735 1.00 18.74 ? 8 ARG A CB 1 ATOM 66 C CG . ARG A 1 8 ? 46.002 7.705 14.119 1.00 23.83 ? 8 ARG A CG 1 ATOM 67 C CD . ARG A 1 8 ? 46.035 8.580 15.372 1.00 29.22 ? 8 ARG A CD 1 ATOM 68 N NE . ARG A 1 8 ? 47.403 8.936 15.758 1.00 47.86 ? 8 ARG A NE 1 ATOM 69 C CZ . ARG A 1 8 ? 48.250 9.636 14.978 1.00 75.73 ? 8 ARG A CZ 1 ATOM 70 N NH1 . ARG A 1 8 ? 47.944 10.075 13.739 1.00 46.00 ? 8 ARG A NH1 1 ATOM 71 N NH2 . ARG A 1 8 ? 49.462 9.915 15.458 1.00 72.04 ? 8 ARG A NH2 1 ATOM 72 N N . ILE A 1 9 ? 44.995 8.123 10.577 1.00 14.50 ? 9 ILE A N 1 ATOM 73 C CA . ILE A 1 9 ? 45.855 8.603 9.498 1.00 16.51 ? 9 ILE A CA 1 ATOM 74 C C . ILE A 1 9 ? 45.289 9.921 8.903 1.00 16.44 ? 9 ILE A C 1 ATOM 75 O O . ILE A 1 9 ? 45.990 10.920 8.665 1.00 14.76 ? 9 ILE A O 1 ATOM 76 C CB . ILE A 1 9 ? 46.055 7.475 8.450 1.00 15.13 ? 9 ILE A CB 1 ATOM 77 C CG1 . ILE A 1 9 ? 47.132 6.475 8.851 1.00 17.54 ? 9 ILE A CG1 1 ATOM 78 C CG2 . ILE A 1 9 ? 46.507 7.997 7.094 1.00 17.09 ? 9 ILE A CG2 1 ATOM 79 C CD1 . ILE A 1 9 ? 46.894 5.173 8.095 1.00 16.61 ? 9 ILE A CD1 1 ATOM 80 N N . ASP A 1 10 ? 43.974 9.945 8.669 1.00 13.34 ? 10 ASP A N 1 ATOM 81 C CA . ASP A 1 10 ? 43.272 11.087 8.052 1.00 8.78 ? 10 ASP A CA 1 ATOM 82 C C . ASP A 1 10 ? 43.211 12.385 8.913 1.00 22.03 ? 10 ASP A C 1 ATOM 83 O O . ASP A 1 10 ? 43.281 13.495 8.423 1.00 20.56 ? 10 ASP A O 1 ATOM 84 C CB . ASP A 1 10 ? 41.852 10.634 7.595 1.00 6.24 ? 10 ASP A CB 1 ATOM 85 C CG . ASP A 1 10 ? 41.907 9.845 6.327 1.00 17.28 ? 10 ASP A CG 1 ATOM 86 O OD1 . ASP A 1 10 ? 42.851 9.985 5.522 1.00 9.57 ? 10 ASP A OD1 1 ATOM 87 O OD2 . ASP A 1 10 ? 40.921 8.987 6.200 1.00 14.71 ? 10 ASP A OD2 1 ATOM 88 N N . GLU A 1 11 ? 43.024 12.244 10.232 1.00 16.53 ? 11 GLU A N 1 ATOM 89 C CA . GLU A 1 11 ? 42.881 13.365 11.138 1.00 14.71 ? 11 GLU A CA 1 ATOM 90 C C . GLU A 1 11 ? 44.172 13.786 11.811 1.00 16.91 ? 11 GLU A C 1 ATOM 91 O O . GLU A 1 11 ? 44.333 14.927 12.226 1.00 16.17 ? 11 GLU A O 1 ATOM 92 C CB . GLU A 1 11 ? 41.887 12.990 12.238 1.00 13.24 ? 11 GLU A CB 1 ATOM 93 C CG . GLU A 1 11 ? 40.552 12.670 11.587 1.00 10.27 ? 11 GLU A CG 1 ATOM 94 C CD . GLU A 1 11 ? 39.816 13.830 10.970 1.00 19.47 ? 11 GLU A CD 1 ATOM 95 O OE1 . GLU A 1 11 ? 40.363 14.984 11.173 1.00 22.11 ? 11 GLU A OE1 1 ATOM 96 O OE2 . GLU A 1 11 ? 38.779 13.709 10.380 1.00 17.87 ? 11 GLU A OE2 1 ATOM 97 N N . GLY A 1 12 ? 45.054 12.842 12.006 1.00 13.63 ? 12 GLY A N 1 ATOM 98 C CA . GLY A 1 12 ? 46.301 13.138 12.722 1.00 17.34 ? 12 GLY A CA 1 ATOM 99 C C . GLY A 1 12 ? 46.039 13.157 14.219 1.00 27.69 ? 12 GLY A C 1 ATOM 100 O O . GLY A 1 12 ? 44.932 12.800 14.683 1.00 22.97 ? 12 GLY A O 1 ATOM 101 N N . LEU A 1 13 ? 47.074 13.545 14.966 1.00 20.63 ? 13 LEU A N 1 ATOM 102 C CA . LEU A 1 13 ? 46.980 13.656 16.413 1.00 19.90 ? 13 LEU A CA 1 ATOM 103 C C . LEU A 1 13 ? 47.625 14.960 16.899 1.00 29.24 ? 13 LEU A C 1 ATOM 104 O O . LEU A 1 13 ? 48.797 15.133 16.665 1.00 28.68 ? 13 LEU A O 1 ATOM 105 C CB . LEU A 1 13 ? 47.629 12.461 17.112 1.00 21.67 ? 13 LEU A CB 1 ATOM 106 C CG . LEU A 1 13 ? 47.797 12.626 18.638 1.00 31.10 ? 13 LEU A CG 1 ATOM 107 C CD1 . LEU A 1 13 ? 46.461 12.517 19.386 1.00 25.87 ? 13 LEU A CD1 1 ATOM 108 C CD2 . LEU A 1 13 ? 48.743 11.555 19.182 1.00 37.48 ? 13 LEU A CD2 1 ATOM 109 N N . ARG A 1 14 ? 46.864 15.879 17.533 1.00 26.49 ? 14 ARG A N 1 ATOM 110 C CA . ARG A 1 14 ? 47.332 17.159 18.102 1.00 21.22 ? 14 ARG A CA 1 ATOM 111 C C . ARG A 1 14 ? 46.836 17.324 19.525 1.00 22.36 ? 14 ARG A C 1 ATOM 112 O O . ARG A 1 14 ? 45.617 17.231 19.786 1.00 17.84 ? 14 ARG A O 1 ATOM 113 C CB . ARG A 1 14 ? 46.948 18.356 17.246 1.00 23.97 ? 14 ARG A CB 1 ATOM 114 C CG . ARG A 1 14 ? 47.407 18.062 15.814 1.00 30.32 ? 14 ARG A CG 1 ATOM 115 C CD . ARG A 1 14 ? 48.098 19.204 15.035 1.00 51.90 ? 14 ARG A CD 1 ATOM 116 N NE . ARG A 1 14 ? 48.596 20.370 15.780 1.00 53.19 ? 14 ARG A NE 1 ATOM 117 C CZ . ARG A 1 14 ? 48.626 21.610 15.246 1.00 96.36 ? 14 ARG A CZ 1 ATOM 118 N NH1 . ARG A 1 14 ? 48.185 21.855 14.009 1.00 53.92 ? 14 ARG A NH1 1 ATOM 119 N NH2 . ARG A 1 14 ? 49.088 22.632 15.980 1.00 100.00 ? 14 ARG A NH2 1 ATOM 120 N N . LEU A 1 15 ? 47.815 17.548 20.410 1.00 18.97 ? 15 LEU A N 1 ATOM 121 C CA . LEU A 1 15 ? 47.598 17.689 21.836 1.00 20.19 ? 15 LEU A CA 1 ATOM 122 C C . LEU A 1 15 ? 47.260 19.079 22.288 1.00 25.25 ? 15 LEU A C 1 ATOM 123 O O . LEU A 1 15 ? 46.922 19.212 23.447 1.00 31.18 ? 15 LEU A O 1 ATOM 124 C CB . LEU A 1 15 ? 48.722 17.097 22.710 1.00 19.49 ? 15 LEU A CB 1 ATOM 125 C CG . LEU A 1 15 ? 49.000 15.644 22.378 1.00 19.41 ? 15 LEU A CG 1 ATOM 126 C CD1 . LEU A 1 15 ? 50.047 15.073 23.297 1.00 18.51 ? 15 LEU A CD1 1 ATOM 127 C CD2 . LEU A 1 15 ? 47.785 14.738 22.556 1.00 18.78 ? 15 LEU A CD2 1 ATOM 128 N N . LYS A 1 16 ? 47.323 20.060 21.394 1.00 19.08 ? 16 LYS A N 1 ATOM 129 C CA . LYS A 1 16 ? 46.927 21.424 21.690 1.00 22.86 ? 16 LYS A CA 1 ATOM 130 C C . LYS A 1 16 ? 45.806 21.816 20.800 1.00 18.93 ? 16 LYS A C 1 ATOM 131 O O . LYS A 1 16 ? 45.639 21.240 19.741 1.00 30.84 ? 16 LYS A O 1 ATOM 132 C CB . LYS A 1 16 ? 47.761 22.616 21.183 1.00 24.93 ? 16 LYS A CB 1 ATOM 133 C CG . LYS A 1 16 ? 48.935 22.875 22.061 1.00 48.57 ? 16 LYS A CG 1 ATOM 134 C CD . LYS A 1 16 ? 49.498 21.537 22.489 1.00 77.91 ? 16 LYS A CD 1 ATOM 135 C CE . LYS A 1 16 ? 50.778 21.652 23.290 1.00 95.88 ? 16 LYS A CE 1 ATOM 136 N NZ . LYS A 1 16 ? 50.744 22.794 24.217 1.00 100.00 ? 16 LYS A NZ 1 ATOM 137 N N . ILE A 1 17 ? 45.025 22.771 21.249 1.00 21.16 ? 17 ILE A N 1 ATOM 138 C CA . ILE A 1 17 ? 43.908 23.274 20.443 1.00 18.86 ? 17 ILE A CA 1 ATOM 139 C C . ILE A 1 17 ? 44.528 23.742 19.145 1.00 31.48 ? 17 ILE A C 1 ATOM 140 O O . ILE A 1 17 ? 45.632 24.258 19.195 1.00 41.94 ? 17 ILE A O 1 ATOM 141 C CB . ILE A 1 17 ? 43.232 24.451 21.142 1.00 20.15 ? 17 ILE A CB 1 ATOM 142 C CG1 . ILE A 1 17 ? 42.627 23.979 22.457 1.00 28.58 ? 17 ILE A CG1 1 ATOM 143 C CG2 . ILE A 1 17 ? 42.161 25.113 20.271 1.00 20.07 ? 17 ILE A CG2 1 ATOM 144 C CD1 . ILE A 1 17 ? 41.362 24.717 22.871 1.00 27.37 ? 17 ILE A CD1 1 ATOM 145 N N . TYR A 1 18 ? 43.816 23.597 18.040 1.00 20.15 ? 18 TYR A N 1 ATOM 146 C CA . TYR A 1 18 ? 44.374 24.041 16.785 1.00 19.57 ? 18 TYR A CA 1 ATOM 147 C C . TYR A 1 18 ? 43.234 24.372 15.871 1.00 24.47 ? 18 TYR A C 1 ATOM 148 O O . TYR A 1 18 ? 42.086 24.028 16.158 1.00 23.10 ? 18 TYR A O 1 ATOM 149 C CB . TYR A 1 18 ? 45.412 23.021 16.160 1.00 23.84 ? 18 TYR A CB 1 ATOM 150 C CG . TYR A 1 18 ? 44.756 21.776 15.666 1.00 24.52 ? 18 TYR A CG 1 ATOM 151 C CD1 . TYR A 1 18 ? 44.424 20.717 16.529 1.00 16.33 ? 18 TYR A CD1 1 ATOM 152 C CD2 . TYR A 1 18 ? 44.408 21.693 14.314 1.00 27.10 ? 18 TYR A CD2 1 ATOM 153 C CE1 . TYR A 1 18 ? 43.750 19.595 16.041 1.00 20.19 ? 18 TYR A CE1 1 ATOM 154 C CE2 . TYR A 1 18 ? 43.762 20.556 13.806 1.00 30.66 ? 18 TYR A CE2 1 ATOM 155 C CZ . TYR A 1 18 ? 43.412 19.519 14.676 1.00 37.45 ? 18 TYR A CZ 1 ATOM 156 O OH . TYR A 1 18 ? 42.776 18.405 14.143 1.00 29.05 ? 18 TYR A OH 1 ATOM 157 N N . LYS A 1 19 ? 43.509 25.080 14.772 1.00 22.34 ? 19 LYS A N 1 ATOM 158 C CA . LYS A 1 19 ? 42.446 25.378 13.823 1.00 20.57 ? 19 LYS A CA 1 ATOM 159 C C . LYS A 1 19 ? 42.525 24.326 12.704 1.00 30.95 ? 19 LYS A C 1 ATOM 160 O O . LYS A 1 19 ? 43.552 24.063 12.076 1.00 27.62 ? 19 LYS A O 1 ATOM 161 C CB . LYS A 1 19 ? 42.438 26.765 13.209 1.00 28.15 ? 19 LYS A CB 1 ATOM 162 C CG . LYS A 1 19 ? 42.267 27.918 14.173 1.00 28.92 ? 19 LYS A CG 1 ATOM 163 C CD . LYS A 1 19 ? 41.661 29.120 13.460 1.00 61.89 ? 19 LYS A CD 1 ATOM 164 C CE . LYS A 1 19 ? 42.115 30.456 14.014 1.00 51.41 ? 19 LYS A CE 1 ATOM 165 N NZ . LYS A 1 19 ? 42.206 31.477 12.953 1.00 100.00 ? 19 LYS A NZ 1 ATOM 166 N N . ALA A 1 20 ? 41.416 23.656 12.502 1.00 28.14 ? 20 ALA A N 1 ATOM 167 C CA . ALA A 1 20 ? 41.385 22.642 11.504 1.00 29.57 ? 20 ALA A CA 1 ATOM 168 C C . ALA A 1 20 ? 41.303 23.337 10.169 1.00 34.98 ? 20 ALA A C 1 ATOM 169 O O . ALA A 1 20 ? 41.286 24.551 10.071 1.00 23.02 ? 20 ALA A O 1 ATOM 170 C CB . ALA A 1 20 ? 40.240 21.716 11.743 1.00 29.53 ? 20 ALA A CB 1 ATOM 171 N N . THR A 1 21 ? 41.201 22.594 9.126 1.00 37.94 ? 21 THR A N 1 ATOM 172 C CA . THR A 1 21 ? 41.218 23.273 7.847 1.00 38.16 ? 21 THR A CA 1 ATOM 173 C C . THR A 1 21 ? 40.108 24.290 7.518 1.00 50.78 ? 21 THR A C 1 ATOM 174 O O . THR A 1 21 ? 40.374 25.124 6.620 1.00 41.97 ? 21 THR A O 1 ATOM 175 C CB . THR A 1 21 ? 41.612 22.254 6.781 1.00 54.62 ? 21 THR A CB 1 ATOM 176 O OG1 . THR A 1 21 ? 40.754 22.399 5.696 1.00 39.50 ? 21 THR A OG1 1 ATOM 177 C CG2 . THR A 1 21 ? 41.553 20.837 7.394 1.00 70.44 ? 21 THR A CG2 1 ATOM 178 N N . GLU A 1 22 ? 38.916 24.261 8.224 1.00 48.08 ? 22 GLU A N 1 ATOM 179 C CA . GLU A 1 22 ? 37.775 25.200 7.988 1.00 35.24 ? 22 GLU A CA 1 ATOM 180 C C . GLU A 1 22 ? 37.808 26.405 8.937 1.00 34.13 ? 22 GLU A C 1 ATOM 181 O O . GLU A 1 22 ? 36.914 27.250 8.917 1.00 44.83 ? 22 GLU A O 1 ATOM 182 C CB . GLU A 1 22 ? 36.451 24.459 7.887 1.00 33.13 ? 22 GLU A CB 1 ATOM 183 C CG . GLU A 1 22 ? 36.393 23.309 7.010 1.00 93.94 ? 22 GLU A CG 1 ATOM 184 C CD . GLU A 1 22 ? 35.204 23.277 6.040 1.00 100.00 ? 22 GLU A CD 1 ATOM 185 O OE1 . GLU A 1 22 ? 34.322 24.323 6.189 1.00 100.00 ? 22 GLU A OE1 1 ATOM 186 O OE2 . GLU A 1 22 ? 35.052 22.398 5.116 1.00 100.00 ? 22 GLU A OE2 1 ATOM 187 N N . GLY A 1 23 ? 38.899 26.448 9.735 1.00 23.55 ? 23 GLY A N 1 ATOM 188 C CA . GLY A 1 23 ? 39.246 27.470 10.708 1.00 27.11 ? 23 GLY A CA 1 ATOM 189 C C . GLY A 1 23 ? 38.596 27.237 12.078 1.00 41.19 ? 23 GLY A C 1 ATOM 190 O O . GLY A 1 23 ? 38.634 28.112 12.937 1.00 49.94 ? 23 GLY A O 1 ATOM 191 N N . TYR A 1 24 ? 37.998 26.069 12.276 1.00 24.64 ? 24 TYR A N 1 ATOM 192 C CA . TYR A 1 24 ? 37.385 25.746 13.564 1.00 24.82 ? 24 TYR A CA 1 ATOM 193 C C . TYR A 1 24 ? 38.286 25.064 14.532 1.00 27.80 ? 24 TYR A C 1 ATOM 194 O O . TYR A 1 24 ? 39.141 24.261 14.182 1.00 26.29 ? 24 TYR A O 1 ATOM 195 C CB . TYR A 1 24 ? 36.280 24.722 13.524 1.00 26.85 ? 24 TYR A CB 1 ATOM 196 C CG . TYR A 1 24 ? 35.289 25.162 12.506 1.00 36.01 ? 24 TYR A CG 1 ATOM 197 C CD1 . TYR A 1 24 ? 34.968 26.513 12.411 1.00 44.50 ? 24 TYR A CD1 1 ATOM 198 C CD2 . TYR A 1 24 ? 34.668 24.244 11.654 1.00 38.64 ? 24 TYR A CD2 1 ATOM 199 C CE1 . TYR A 1 24 ? 34.031 26.932 11.459 1.00 54.45 ? 24 TYR A CE1 1 ATOM 200 C CE2 . TYR A 1 24 ? 33.715 24.657 10.716 1.00 44.44 ? 24 TYR A CE2 1 ATOM 201 C CZ . TYR A 1 24 ? 33.398 26.013 10.613 1.00 66.99 ? 24 TYR A CZ 1 ATOM 202 O OH . TYR A 1 24 ? 32.469 26.432 9.679 1.00 75.01 ? 24 TYR A OH 1 ATOM 203 N N . TYR A 1 25 ? 38.063 25.379 15.786 1.00 22.22 ? 25 TYR A N 1 ATOM 204 C CA . TYR A 1 25 ? 38.842 24.848 16.866 1.00 20.18 ? 25 TYR A CA 1 ATOM 205 C C . TYR A 1 25 ? 38.632 23.353 17.044 1.00 15.90 ? 25 TYR A C 1 ATOM 206 O O . TYR A 1 25 ? 37.522 22.869 17.183 1.00 17.94 ? 25 TYR A O 1 ATOM 207 C CB . TYR A 1 25 ? 38.472 25.691 18.094 1.00 25.85 ? 25 TYR A CB 1 ATOM 208 C CG . TYR A 1 25 ? 39.129 27.021 18.026 1.00 28.21 ? 25 TYR A CG 1 ATOM 209 C CD1 . TYR A 1 25 ? 40.524 27.083 18.019 1.00 30.03 ? 25 TYR A CD1 1 ATOM 210 C CD2 . TYR A 1 25 ? 38.379 28.200 18.001 1.00 32.16 ? 25 TYR A CD2 1 ATOM 211 C CE1 . TYR A 1 25 ? 41.189 28.313 17.977 1.00 35.29 ? 25 TYR A CE1 1 ATOM 212 C CE2 . TYR A 1 25 ? 39.030 29.439 17.957 1.00 24.96 ? 25 TYR A CE2 1 ATOM 213 C CZ . TYR A 1 25 ? 40.427 29.490 17.974 1.00 39.94 ? 25 TYR A CZ 1 ATOM 214 O OH . TYR A 1 25 ? 41.049 30.725 17.984 1.00 45.19 ? 25 TYR A OH 1 ATOM 215 N N . THR A 1 26 ? 39.755 22.668 17.096 1.00 11.58 ? 26 THR A N 1 ATOM 216 C CA . THR A 1 26 ? 39.784 21.259 17.205 1.00 19.06 ? 26 THR A CA 1 ATOM 217 C C . THR A 1 26 ? 40.910 20.831 18.123 1.00 13.27 ? 26 THR A C 1 ATOM 218 O O . THR A 1 26 ? 41.849 21.545 18.389 1.00 16.67 ? 26 THR A O 1 ATOM 219 C CB . THR A 1 26 ? 40.056 20.772 15.700 1.00 24.47 ? 26 THR A CB 1 ATOM 220 O OG1 . THR A 1 26 ? 39.112 21.399 14.862 1.00 19.00 ? 26 THR A OG1 1 ATOM 221 C CG2 . THR A 1 26 ? 39.994 19.277 15.345 1.00 10.50 ? 26 THR A CG2 1 ATOM 222 N N . ILE A 1 27 ? 40.920 19.573 18.475 1.00 17.69 ? 27 ILE A N 1 ATOM 223 C CA . ILE A 1 27 ? 42.026 19.028 19.228 1.00 15.55 ? 27 ILE A CA 1 ATOM 224 C C . ILE A 1 27 ? 42.019 17.511 19.075 1.00 17.10 ? 27 ILE A C 1 ATOM 225 O O . ILE A 1 27 ? 41.029 16.930 18.649 1.00 14.45 ? 27 ILE A O 1 ATOM 226 C CB . ILE A 1 27 ? 41.901 19.458 20.717 1.00 20.00 ? 27 ILE A CB 1 ATOM 227 C CG1 . ILE A 1 27 ? 43.185 19.133 21.479 1.00 15.02 ? 27 ILE A CG1 1 ATOM 228 C CG2 . ILE A 1 27 ? 40.711 18.689 21.293 1.00 15.52 ? 27 ILE A CG2 1 ATOM 229 C CD1 . ILE A 1 27 ? 43.227 19.706 22.858 1.00 15.63 ? 27 ILE A CD1 1 ATOM 230 N N . GLY A 1 28 ? 43.064 16.865 19.540 1.00 9.11 ? 28 GLY A N 1 ATOM 231 C CA . GLY A 1 28 ? 43.162 15.409 19.563 1.00 11.25 ? 28 GLY A CA 1 ATOM 232 C C . GLY A 1 28 ? 43.181 14.816 18.159 1.00 19.14 ? 28 GLY A C 1 ATOM 233 O O . GLY A 1 28 ? 43.896 15.290 17.305 1.00 10.84 ? 28 GLY A O 1 ATOM 234 N N . ILE A 1 29 ? 42.343 13.832 17.944 1.00 19.72 ? 29 ILE A N 1 ATOM 235 C CA . ILE A 1 29 ? 42.162 13.169 16.642 1.00 16.77 ? 29 ILE A CA 1 ATOM 236 C C . ILE A 1 29 ? 40.887 13.620 15.946 1.00 13.45 ? 29 ILE A C 1 ATOM 237 O O . ILE A 1 29 ? 39.862 12.928 15.931 1.00 13.88 ? 29 ILE A O 1 ATOM 238 C CB . ILE A 1 29 ? 42.176 11.649 16.791 1.00 17.28 ? 29 ILE A CB 1 ATOM 239 C CG1 . ILE A 1 29 ? 43.516 11.236 17.461 1.00 19.91 ? 29 ILE A CG1 1 ATOM 240 C CG2 . ILE A 1 29 ? 42.040 11.073 15.393 1.00 16.76 ? 29 ILE A CG2 1 ATOM 241 C CD1 . ILE A 1 29 ? 43.614 9.832 18.149 1.00 11.76 ? 29 ILE A CD1 1 ATOM 242 N N . GLY A 1 30 ? 40.943 14.796 15.352 1.00 10.09 ? 30 GLY A N 1 ATOM 243 C CA . GLY A 1 30 ? 39.817 15.356 14.663 1.00 10.30 ? 30 GLY A CA 1 ATOM 244 C C . GLY A 1 30 ? 38.630 15.739 15.542 1.00 16.13 ? 30 GLY A C 1 ATOM 245 O O . GLY A 1 30 ? 37.498 15.784 15.072 1.00 19.73 ? 30 GLY A O 1 ATOM 246 N N . HIS A 1 31 ? 38.841 15.977 16.836 1.00 11.23 ? 31 HIS A N 1 ATOM 247 C CA . HIS A 1 31 ? 37.682 16.265 17.691 1.00 10.99 ? 31 HIS A CA 1 ATOM 248 C C . HIS A 1 31 ? 37.282 17.730 17.614 1.00 12.79 ? 31 HIS A C 1 ATOM 249 O O . HIS A 1 31 ? 37.924 18.603 18.209 1.00 14.72 ? 31 HIS A O 1 ATOM 250 C CB . HIS A 1 31 ? 37.961 15.810 19.168 1.00 11.53 ? 31 HIS A CB 1 ATOM 251 C CG . HIS A 1 31 ? 36.754 16.120 20.019 1.00 13.72 ? 31 HIS A CG 1 ATOM 252 N ND1 . HIS A 1 31 ? 35.675 15.225 20.176 1.00 12.62 ? 31 HIS A ND1 1 ATOM 253 C CD2 . HIS A 1 31 ? 36.420 17.255 20.694 1.00 17.55 ? 31 HIS A CD2 1 ATOM 254 C CE1 . HIS A 1 31 ? 34.734 15.830 20.875 1.00 12.19 ? 31 HIS A CE1 1 ATOM 255 N NE2 . HIS A 1 31 ? 35.165 17.055 21.253 1.00 11.89 ? 31 HIS A NE2 1 ATOM 256 N N . LEU A 1 32 ? 36.228 18.023 16.913 1.00 15.65 ? 32 LEU A N 1 ATOM 257 C CA . LEU A 1 32 ? 35.826 19.393 16.785 1.00 18.75 ? 32 LEU A CA 1 ATOM 258 C C . LEU A 1 32 ? 35.393 19.975 18.114 1.00 24.85 ? 32 LEU A C 1 ATOM 259 O O . LEU A 1 32 ? 34.586 19.381 18.824 1.00 20.80 ? 32 LEU A O 1 ATOM 260 C CB . LEU A 1 32 ? 34.631 19.585 15.818 1.00 24.38 ? 32 LEU A CB 1 ATOM 261 C CG . LEU A 1 32 ? 34.028 21.014 15.853 1.00 32.38 ? 32 LEU A CG 1 ATOM 262 C CD1 . LEU A 1 32 ? 34.984 22.101 15.339 1.00 32.49 ? 32 LEU A CD1 1 ATOM 263 C CD2 . LEU A 1 32 ? 32.816 21.053 14.959 1.00 33.24 ? 32 LEU A CD2 1 ATOM 264 N N . LEU A 1 33 ? 35.913 21.123 18.461 1.00 18.04 ? 33 LEU A N 1 ATOM 265 C CA . LEU A 1 33 ? 35.488 21.704 19.717 1.00 22.54 ? 33 LEU A CA 1 ATOM 266 C C . LEU A 1 33 ? 34.298 22.689 19.537 1.00 33.28 ? 33 LEU A C 1 ATOM 267 O O . LEU A 1 33 ? 33.244 22.628 20.211 1.00 28.97 ? 33 LEU A O 1 ATOM 268 C CB . LEU A 1 33 ? 36.677 22.386 20.434 1.00 16.27 ? 33 LEU A CB 1 ATOM 269 C CG . LEU A 1 33 ? 37.578 21.381 21.033 1.00 17.60 ? 33 LEU A CG 1 ATOM 270 C CD1 . LEU A 1 33 ? 38.854 22.135 21.283 1.00 25.61 ? 33 LEU A CD1 1 ATOM 271 C CD2 . LEU A 1 33 ? 36.888 20.932 22.298 1.00 13.36 ? 33 LEU A CD2 1 ATOM 272 N N . THR A 1 34 ? 34.487 23.641 18.643 1.00 30.23 ? 34 THR A N 1 ATOM 273 C CA . THR A 1 34 ? 33.487 24.655 18.444 1.00 31.24 ? 34 THR A CA 1 ATOM 274 C C . THR A 1 34 ? 33.666 25.247 17.089 1.00 31.38 ? 34 THR A C 1 ATOM 275 O O . THR A 1 34 ? 34.760 25.196 16.550 1.00 29.37 ? 34 THR A O 1 ATOM 276 C CB . THR A 1 34 ? 33.548 25.757 19.560 1.00 27.69 ? 34 THR A CB 1 ATOM 277 O OG1 . THR A 1 34 ? 32.356 26.507 19.486 1.00 32.13 ? 34 THR A OG1 1 ATOM 278 C CG2 . THR A 1 34 ? 34.708 26.767 19.577 1.00 29.53 ? 34 THR A CG2 1 ATOM 279 N N . LYS A 1 35 ? 32.588 25.783 16.547 1.00 30.89 ? 35 LYS A N 1 ATOM 280 C CA . LYS A 1 35 ? 32.630 26.449 15.239 1.00 37.74 ? 35 LYS A CA 1 ATOM 281 C C . LYS A 1 35 ? 32.931 27.929 15.464 1.00 47.22 ? 35 LYS A C 1 ATOM 282 O O . LYS A 1 35 ? 33.434 28.644 14.608 1.00 54.27 ? 35 LYS A O 1 ATOM 283 C CB . LYS A 1 35 ? 31.375 26.270 14.392 1.00 36.67 ? 35 LYS A CB 1 ATOM 284 C CG . LYS A 1 35 ? 31.229 24.878 13.746 1.00 33.21 ? 35 LYS A CG 1 ATOM 285 C CD . LYS A 1 35 ? 29.801 24.343 13.732 1.00 45.34 ? 35 LYS A CD 1 ATOM 286 C CE . LYS A 1 35 ? 29.280 23.894 12.364 1.00 92.55 ? 35 LYS A CE 1 ATOM 287 N NZ . LYS A 1 35 ? 27.804 23.718 12.270 1.00 100.00 ? 35 LYS A NZ 1 ATOM 288 N N . SER A 1 36 ? 32.666 28.340 16.684 1.00 36.47 ? 36 SER A N 1 ATOM 289 C CA . SER A 1 36 ? 32.873 29.667 17.208 1.00 39.53 ? 36 SER A CA 1 ATOM 290 C C . SER A 1 36 ? 34.325 30.180 17.158 1.00 45.17 ? 36 SER A C 1 ATOM 291 O O . SER A 1 36 ? 35.298 29.554 17.588 1.00 30.74 ? 36 SER A O 1 ATOM 292 C CB . SER A 1 36 ? 32.274 29.751 18.636 1.00 47.37 ? 36 SER A CB 1 ATOM 293 O OG . SER A 1 36 ? 32.726 30.872 19.392 1.00 72.48 ? 36 SER A OG 1 ATOM 294 N N . PRO A 1 37 ? 34.459 31.423 16.673 1.00 50.45 ? 37 PRO A N 1 ATOM 295 C CA . PRO A 1 37 ? 35.758 32.039 16.581 1.00 44.38 ? 37 PRO A CA 1 ATOM 296 C C . PRO A 1 37 ? 36.441 32.262 17.898 1.00 47.04 ? 37 PRO A C 1 ATOM 297 O O . PRO A 1 37 ? 37.611 32.658 17.881 1.00 54.39 ? 37 PRO A O 1 ATOM 298 C CB . PRO A 1 37 ? 35.579 33.414 15.955 1.00 43.85 ? 37 PRO A CB 1 ATOM 299 C CG . PRO A 1 37 ? 34.093 33.590 15.717 1.00 52.47 ? 37 PRO A CG 1 ATOM 300 C CD . PRO A 1 37 ? 33.421 32.261 15.999 1.00 48.89 ? 37 PRO A CD 1 ATOM 301 N N . SER A 1 38 ? 35.779 32.019 19.036 1.00 35.33 ? 38 SER A N 1 ATOM 302 C CA . SER A 1 38 ? 36.467 32.319 20.304 1.00 33.75 ? 38 SER A CA 1 ATOM 303 C C . SER A 1 38 ? 37.277 31.181 20.916 1.00 39.47 ? 38 SER A C 1 ATOM 304 O O . SER A 1 38 ? 36.815 30.031 21.067 1.00 41.87 ? 38 SER A O 1 ATOM 305 C CB . SER A 1 38 ? 35.597 32.994 21.367 1.00 41.94 ? 38 SER A CB 1 ATOM 306 O OG . SER A 1 38 ? 36.429 33.297 22.491 1.00 53.92 ? 38 SER A OG 1 ATOM 307 N N . LEU A 1 39 ? 38.507 31.548 21.284 1.00 28.50 ? 39 LEU A N 1 ATOM 308 C CA . LEU A 1 39 ? 39.417 30.609 21.856 1.00 32.38 ? 39 LEU A CA 1 ATOM 309 C C . LEU A 1 39 ? 38.904 30.242 23.206 1.00 40.61 ? 39 LEU A C 1 ATOM 310 O O . LEU A 1 39 ? 39.056 29.113 23.699 1.00 41.64 ? 39 LEU A O 1 ATOM 311 C CB . LEU A 1 39 ? 40.854 31.137 21.811 1.00 33.65 ? 39 LEU A CB 1 ATOM 312 C CG . LEU A 1 39 ? 41.852 30.136 22.364 1.00 36.47 ? 39 LEU A CG 1 ATOM 313 C CD1 . LEU A 1 39 ? 41.725 28.831 21.586 1.00 31.96 ? 39 LEU A CD1 1 ATOM 314 C CD2 . LEU A 1 39 ? 43.262 30.698 22.275 1.00 33.58 ? 39 LEU A CD2 1 ATOM 315 N N . ASN A 1 40 ? 38.256 31.231 23.786 1.00 35.22 ? 40 ASN A N 1 ATOM 316 C CA . ASN A 1 40 ? 37.719 31.004 25.101 1.00 36.04 ? 40 ASN A CA 1 ATOM 317 C C . ASN A 1 40 ? 36.625 30.004 25.037 1.00 27.86 ? 40 ASN A C 1 ATOM 318 O O . ASN A 1 40 ? 36.559 29.085 25.870 1.00 36.97 ? 40 ASN A O 1 ATOM 319 C CB . ASN A 1 40 ? 37.456 32.322 25.822 1.00 53.29 ? 40 ASN A CB 1 ATOM 320 C CG . ASN A 1 40 ? 38.811 32.977 25.824 1.00 100.00 ? 40 ASN A CG 1 ATOM 321 O OD1 . ASN A 1 40 ? 39.735 32.524 26.555 1.00 69.98 ? 40 ASN A OD1 1 ATOM 322 N ND2 . ASN A 1 40 ? 38.989 33.874 24.842 1.00 100.00 ? 40 ASN A ND2 1 ATOM 323 N N . ALA A 1 41 ? 35.788 30.205 24.038 1.00 19.44 ? 41 ALA A N 1 ATOM 324 C CA . ALA A 1 41 ? 34.708 29.295 23.796 1.00 23.15 ? 41 ALA A CA 1 ATOM 325 C C . ALA A 1 41 ? 35.257 27.880 23.651 1.00 26.36 ? 41 ALA A C 1 ATOM 326 O O . ALA A 1 41 ? 34.749 26.945 24.250 1.00 32.98 ? 41 ALA A O 1 ATOM 327 C CB . ALA A 1 41 ? 33.941 29.672 22.559 1.00 23.95 ? 41 ALA A CB 1 ATOM 328 N N . ALA A 1 42 ? 36.320 27.730 22.863 1.00 26.28 ? 42 ALA A N 1 ATOM 329 C CA . ALA A 1 42 ? 36.945 26.418 22.617 1.00 24.93 ? 42 ALA A CA 1 ATOM 330 C C . ALA A 1 42 ? 37.557 25.801 23.869 1.00 25.17 ? 42 ALA A C 1 ATOM 331 O O . ALA A 1 42 ? 37.445 24.600 24.142 1.00 22.63 ? 42 ALA A O 1 ATOM 332 C CB . ALA A 1 42 ? 37.941 26.521 21.467 1.00 30.94 ? 42 ALA A CB 1 ATOM 333 N N . LYS A 1 43 ? 38.218 26.647 24.647 1.00 24.76 ? 43 LYS A N 1 ATOM 334 C CA . LYS A 1 43 ? 38.830 26.186 25.887 1.00 27.86 ? 43 LYS A CA 1 ATOM 335 C C . LYS A 1 43 ? 37.801 25.626 26.892 1.00 27.09 ? 43 LYS A C 1 ATOM 336 O O . LYS A 1 43 ? 38.024 24.614 27.541 1.00 26.03 ? 43 LYS A O 1 ATOM 337 C CB . LYS A 1 43 ? 39.577 27.316 26.532 1.00 24.53 ? 43 LYS A CB 1 ATOM 338 C CG . LYS A 1 43 ? 41.039 27.418 26.094 1.00 46.35 ? 43 LYS A CG 1 ATOM 339 C CD . LYS A 1 43 ? 41.637 28.833 26.133 1.00 74.43 ? 43 LYS A CD 1 ATOM 340 C CE . LYS A 1 43 ? 42.898 28.954 27.007 1.00 88.84 ? 43 LYS A CE 1 ATOM 341 N NZ . LYS A 1 43 ? 43.562 30.273 26.953 1.00 100.00 ? 43 LYS A NZ 1 ATOM 342 N N . SER A 1 44 ? 36.696 26.329 26.972 1.00 19.60 ? 44 SER A N 1 ATOM 343 C CA . SER A 1 44 ? 35.501 26.060 27.769 1.00 26.09 ? 44 SER A CA 1 ATOM 344 C C . SER A 1 44 ? 34.904 24.730 27.339 1.00 22.75 ? 44 SER A C 1 ATOM 345 O O . SER A 1 44 ? 34.652 23.811 28.144 1.00 22.08 ? 44 SER A O 1 ATOM 346 C CB . SER A 1 44 ? 34.544 27.268 27.691 1.00 27.07 ? 44 SER A CB 1 ATOM 347 O OG . SER A 1 44 ? 33.377 27.057 28.455 1.00 51.38 ? 44 SER A OG 1 ATOM 348 N N . GLU A 1 45 ? 34.751 24.602 26.039 1.00 19.04 ? 45 GLU A N 1 ATOM 349 C CA . GLU A 1 45 ? 34.246 23.358 25.493 1.00 15.23 ? 45 GLU A CA 1 ATOM 350 C C . GLU A 1 45 ? 35.219 22.232 25.814 1.00 19.51 ? 45 GLU A C 1 ATOM 351 O O . GLU A 1 45 ? 34.877 21.120 26.243 1.00 19.39 ? 45 GLU A O 1 ATOM 352 C CB . GLU A 1 45 ? 34.130 23.466 23.971 1.00 14.50 ? 45 GLU A CB 1 ATOM 353 C CG . GLU A 1 45 ? 32.875 24.289 23.531 1.00 11.64 ? 45 GLU A CG 1 ATOM 354 C CD . GLU A 1 45 ? 31.583 23.754 24.151 1.00 35.88 ? 45 GLU A CD 1 ATOM 355 O OE1 . GLU A 1 45 ? 31.272 22.588 24.162 1.00 22.16 ? 45 GLU A OE1 1 ATOM 356 O OE2 . GLU A 1 45 ? 30.824 24.648 24.708 1.00 36.07 ? 45 GLU A OE2 1 ATOM 357 N N . LEU A 1 46 ? 36.480 22.534 25.624 1.00 13.77 ? 46 LEU A N 1 ATOM 358 C CA . LEU A 1 46 ? 37.471 21.537 25.932 1.00 18.98 ? 46 LEU A CA 1 ATOM 359 C C . LEU A 1 46 ? 37.409 21.004 27.402 1.00 19.03 ? 46 LEU A C 1 ATOM 360 O O . LEU A 1 46 ? 37.472 19.824 27.723 1.00 17.06 ? 46 LEU A O 1 ATOM 361 C CB . LEU A 1 46 ? 38.849 22.150 25.586 1.00 17.10 ? 46 LEU A CB 1 ATOM 362 C CG . LEU A 1 46 ? 39.996 21.249 26.013 1.00 21.19 ? 46 LEU A CG 1 ATOM 363 C CD1 . LEU A 1 46 ? 39.762 19.877 25.455 1.00 15.97 ? 46 LEU A CD1 1 ATOM 364 C CD2 . LEU A 1 46 ? 41.297 21.767 25.409 1.00 15.30 ? 46 LEU A CD2 1 ATOM 365 N N . ASP A 1 47 ? 37.329 21.917 28.353 1.00 20.35 ? 47 ASP A N 1 ATOM 366 C CA . ASP A 1 47 ? 37.320 21.516 29.760 1.00 19.65 ? 47 ASP A CA 1 ATOM 367 C C . ASP A 1 47 ? 36.081 20.732 30.121 1.00 17.08 ? 47 ASP A C 1 ATOM 368 O O . ASP A 1 47 ? 36.134 19.757 30.871 1.00 19.34 ? 47 ASP A O 1 ATOM 369 C CB . ASP A 1 47 ? 37.523 22.738 30.669 1.00 23.66 ? 47 ASP A CB 1 ATOM 370 C CG . ASP A 1 47 ? 38.876 23.410 30.614 1.00 22.07 ? 47 ASP A CG 1 ATOM 371 O OD1 . ASP A 1 47 ? 39.884 22.988 30.102 1.00 23.12 ? 47 ASP A OD1 1 ATOM 372 O OD2 . ASP A 1 47 ? 38.822 24.541 31.162 1.00 34.52 ? 47 ASP A OD2 1 ATOM 373 N N . LYS A 1 48 ? 34.952 21.137 29.511 1.00 20.78 ? 48 LYS A N 1 ATOM 374 C CA . LYS A 1 48 ? 33.673 20.454 29.673 1.00 14.99 ? 48 LYS A CA 1 ATOM 375 C C . LYS A 1 48 ? 33.780 19.005 29.167 1.00 11.45 ? 48 LYS A C 1 ATOM 376 O O . LYS A 1 48 ? 33.366 18.035 29.832 1.00 14.52 ? 48 LYS A O 1 ATOM 377 C CB . LYS A 1 48 ? 32.565 21.328 29.052 1.00 17.85 ? 48 LYS A CB 1 ATOM 378 C CG . LYS A 1 48 ? 31.327 20.654 28.516 1.00 25.18 ? 48 LYS A CG 1 ATOM 379 C CD . LYS A 1 48 ? 30.183 21.637 28.337 1.00 19.27 ? 48 LYS A CD 1 ATOM 380 C CE . LYS A 1 48 ? 30.092 22.181 26.934 1.00 20.04 ? 48 LYS A CE 1 ATOM 381 N NZ . LYS A 1 48 ? 29.747 21.145 25.984 1.00 24.88 ? 48 LYS A NZ 1 ATOM 382 N N . ALA A 1 49 ? 34.357 18.866 27.967 1.00 16.45 ? 49 ALA A N 1 ATOM 383 C CA . ALA A 1 49 ? 34.538 17.565 27.360 1.00 17.85 ? 49 ALA A CA 1 ATOM 384 C C . ALA A 1 49 ? 35.471 16.652 28.172 1.00 16.03 ? 49 ALA A C 1 ATOM 385 O O . ALA A 1 49 ? 35.241 15.468 28.284 1.00 17.94 ? 49 ALA A O 1 ATOM 386 C CB . ALA A 1 49 ? 35.028 17.716 25.915 1.00 17.41 ? 49 ALA A CB 1 ATOM 387 N N . ILE A 1 50 ? 36.544 17.204 28.719 1.00 14.95 ? 50 ILE A N 1 ATOM 388 C CA . ILE A 1 50 ? 37.557 16.428 29.468 1.00 17.96 ? 50 ILE A CA 1 ATOM 389 C C . ILE A 1 50 ? 37.255 16.268 30.956 1.00 23.85 ? 50 ILE A C 1 ATOM 390 O O . ILE A 1 50 ? 37.656 15.325 31.674 1.00 22.82 ? 50 ILE A O 1 ATOM 391 C CB . ILE A 1 50 ? 38.962 17.101 29.275 1.00 20.27 ? 50 ILE A CB 1 ATOM 392 C CG1 . ILE A 1 50 ? 39.443 16.937 27.826 1.00 26.67 ? 50 ILE A CG1 1 ATOM 393 C CG2 . ILE A 1 50 ? 40.046 16.449 30.090 1.00 18.10 ? 50 ILE A CG2 1 ATOM 394 C CD1 . ILE A 1 50 ? 39.418 15.471 27.356 1.00 18.46 ? 50 ILE A CD1 1 ATOM 395 N N . GLY A 1 51 ? 36.555 17.209 31.462 1.00 21.05 ? 51 GLY A N 1 ATOM 396 C CA . GLY A 1 51 ? 36.253 17.106 32.875 1.00 23.70 ? 51 GLY A CA 1 ATOM 397 C C . GLY A 1 51 ? 37.335 17.707 33.745 1.00 32.58 ? 51 GLY A C 1 ATOM 398 O O . GLY A 1 51 ? 37.545 17.290 34.859 1.00 37.50 ? 51 GLY A O 1 ATOM 399 N N . ARG A 1 52 ? 38.034 18.692 33.247 1.00 29.44 ? 52 ARG A N 1 ATOM 400 C CA . ARG A 1 52 ? 39.069 19.331 34.015 1.00 25.36 ? 52 ARG A CA 1 ATOM 401 C C . ARG A 1 52 ? 39.530 20.618 33.387 1.00 31.96 ? 52 ARG A C 1 ATOM 402 O O . ARG A 1 52 ? 39.167 20.932 32.224 1.00 34.09 ? 52 ARG A O 1 ATOM 403 C CB . ARG A 1 52 ? 40.203 18.359 34.289 1.00 26.11 ? 52 ARG A CB 1 ATOM 404 C CG . ARG A 1 52 ? 41.371 18.328 33.295 1.00 31.46 ? 52 ARG A CG 1 ATOM 405 C CD . ARG A 1 52 ? 42.142 17.003 33.405 1.00 29.84 ? 52 ARG A CD 1 ATOM 406 N NE . ARG A 1 52 ? 43.224 16.796 32.436 1.00 37.84 ? 52 ARG A NE 1 ATOM 407 C CZ . ARG A 1 52 ? 44.117 17.703 32.021 1.00 29.80 ? 52 ARG A CZ 1 ATOM 408 N NH1 . ARG A 1 52 ? 44.142 18.967 32.456 1.00 38.90 ? 52 ARG A NH1 1 ATOM 409 N NH2 . ARG A 1 52 ? 45.014 17.340 31.103 1.00 38.02 ? 52 ARG A NH2 1 ATOM 410 N N . ASN A 1 53 ? 40.321 21.365 34.184 1.00 25.94 ? 53 ASN A N 1 ATOM 411 C CA . ASN A 1 53 ? 40.894 22.622 33.736 1.00 30.41 ? 53 ASN A CA 1 ATOM 412 C C . ASN A 1 53 ? 42.123 22.281 32.906 1.00 32.63 ? 53 ASN A C 1 ATOM 413 O O . ASN A 1 53 ? 43.161 21.887 33.467 1.00 30.36 ? 53 ASN A O 1 ATOM 414 C CB . ASN A 1 53 ? 41.181 23.512 34.946 1.00 48.85 ? 53 ASN A CB 1 ATOM 415 C CG . ASN A 1 53 ? 40.520 24.828 34.686 1.00 97.17 ? 53 ASN A CG 1 ATOM 416 O OD1 . ASN A 1 53 ? 39.360 25.019 35.125 1.00 100.00 ? 53 ASN A OD1 1 ATOM 417 N ND2 . ASN A 1 53 ? 41.209 25.660 33.863 1.00 43.67 ? 53 ASN A ND2 1 ATOM 418 N N . THR A 1 54 ? 41.980 22.343 31.567 1.00 25.65 ? 54 THR A N 1 ATOM 419 C CA . THR A 1 54 ? 43.020 21.871 30.659 1.00 23.30 ? 54 THR A CA 1 ATOM 420 C C . THR A 1 54 ? 43.992 22.875 30.194 1.00 38.79 ? 54 THR A C 1 ATOM 421 O O . THR A 1 54 ? 45.117 22.511 29.897 1.00 44.95 ? 54 THR A O 1 ATOM 422 C CB . THR A 1 54 ? 42.477 21.203 29.365 1.00 17.13 ? 54 THR A CB 1 ATOM 423 O OG1 . THR A 1 54 ? 41.782 22.188 28.569 1.00 15.96 ? 54 THR A OG1 1 ATOM 424 C CG2 . THR A 1 54 ? 41.493 20.023 29.688 1.00 16.51 ? 54 THR A CG2 1 ATOM 425 N N . ASN A 1 55 ? 43.547 24.114 30.101 1.00 40.25 ? 55 ASN A N 1 ATOM 426 C CA . ASN A 1 55 ? 44.422 25.138 29.578 1.00 43.96 ? 55 ASN A CA 1 ATOM 427 C C . ASN A 1 55 ? 44.855 24.751 28.152 1.00 53.12 ? 55 ASN A C 1 ATOM 428 O O . ASN A 1 55 ? 46.055 24.761 27.808 1.00 60.81 ? 55 ASN A O 1 ATOM 429 C CB . ASN A 1 55 ? 45.641 25.458 30.489 1.00 49.44 ? 55 ASN A CB 1 ATOM 430 C CG . ASN A 1 55 ? 46.169 26.898 30.345 1.00 82.69 ? 55 ASN A CG 1 ATOM 431 O OD1 . ASN A 1 55 ? 45.430 27.897 30.086 1.00 39.94 ? 55 ASN A OD1 1 ATOM 432 N ND2 . ASN A 1 55 ? 47.488 27.000 30.514 1.00 66.89 ? 55 ASN A ND2 1 ATOM 433 N N . GLY A 1 56 ? 43.839 24.379 27.366 1.00 35.12 ? 56 GLY A N 1 ATOM 434 C CA . GLY A 1 56 ? 43.949 24.017 25.981 1.00 31.21 ? 56 GLY A CA 1 ATOM 435 C C . GLY A 1 56 ? 44.926 22.931 25.652 1.00 27.60 ? 56 GLY A C 1 ATOM 436 O O . GLY A 1 56 ? 45.258 22.807 24.497 1.00 30.78 ? 56 GLY A O 1 ATOM 437 N N . VAL A 1 57 ? 45.322 22.110 26.624 1.00 23.22 ? 57 VAL A N 1 ATOM 438 C CA . VAL A 1 57 ? 46.257 21.025 26.370 1.00 23.74 ? 57 VAL A CA 1 ATOM 439 C C . VAL A 1 57 ? 45.767 19.701 26.914 1.00 29.86 ? 57 VAL A C 1 ATOM 440 O O . VAL A 1 57 ? 45.282 19.653 28.034 1.00 30.62 ? 57 VAL A O 1 ATOM 441 C CB . VAL A 1 57 ? 47.646 21.381 26.937 1.00 32.14 ? 57 VAL A CB 1 ATOM 442 C CG1 . VAL A 1 57 ? 48.658 20.235 26.797 1.00 30.79 ? 57 VAL A CG1 1 ATOM 443 C CG2 . VAL A 1 57 ? 48.138 22.616 26.188 1.00 32.24 ? 57 VAL A CG2 1 ATOM 444 N N . ILE A 1 58 ? 45.881 18.603 26.160 1.00 22.72 ? 58 ILE A N 1 ATOM 445 C CA . ILE A 1 58 ? 45.420 17.350 26.746 1.00 16.85 ? 58 ILE A CA 1 ATOM 446 C C . ILE A 1 58 ? 46.476 16.294 26.594 1.00 19.31 ? 58 ILE A C 1 ATOM 447 O O . ILE A 1 58 ? 47.460 16.491 25.902 1.00 23.39 ? 58 ILE A O 1 ATOM 448 C CB . ILE A 1 58 ? 44.154 16.847 26.118 1.00 18.69 ? 58 ILE A CB 1 ATOM 449 C CG1 . ILE A 1 58 ? 44.373 16.690 24.603 1.00 15.19 ? 58 ILE A CG1 1 ATOM 450 C CG2 . ILE A 1 58 ? 43.001 17.807 26.387 1.00 10.09 ? 58 ILE A CG2 1 ATOM 451 C CD1 . ILE A 1 58 ? 43.089 16.083 24.009 1.00 16.23 ? 58 ILE A CD1 1 ATOM 452 N N . THR A 1 59 ? 46.277 15.171 27.230 1.00 16.57 ? 59 THR A N 1 ATOM 453 C CA . THR A 1 59 ? 47.183 14.130 27.084 1.00 15.41 ? 59 THR A CA 1 ATOM 454 C C . THR A 1 59 ? 46.727 13.163 25.999 1.00 23.29 ? 59 THR A C 1 ATOM 455 O O . THR A 1 59 ? 45.590 13.148 25.544 1.00 18.28 ? 59 THR A O 1 ATOM 456 C CB . THR A 1 59 ? 47.332 13.269 28.352 1.00 30.33 ? 59 THR A CB 1 ATOM 457 O OG1 . THR A 1 59 ? 46.141 12.614 28.593 1.00 26.46 ? 59 THR A OG1 1 ATOM 458 C CG2 . THR A 1 59 ? 47.614 14.135 29.549 1.00 17.83 ? 59 THR A CG2 1 ATOM 459 N N . LYS A 1 60 ? 47.653 12.299 25.628 1.00 18.20 ? 60 LYS A N 1 ATOM 460 C CA . LYS A 1 60 ? 47.413 11.311 24.599 1.00 20.34 ? 60 LYS A CA 1 ATOM 461 C C . LYS A 1 60 ? 46.214 10.437 24.950 1.00 22.36 ? 60 LYS A C 1 ATOM 462 O O . LYS A 1 60 ? 45.304 10.210 24.159 1.00 23.40 ? 60 LYS A O 1 ATOM 463 C CB . LYS A 1 60 ? 48.728 10.609 24.328 1.00 19.56 ? 60 LYS A CB 1 ATOM 464 C CG . LYS A 1 60 ? 48.640 9.419 23.387 1.00 42.91 ? 60 LYS A CG 1 ATOM 465 C CD . LYS A 1 60 ? 50.021 8.974 22.892 1.00 70.53 ? 60 LYS A CD 1 ATOM 466 C CE . LYS A 1 60 ? 49.984 8.156 21.607 1.00 67.20 ? 60 LYS A CE 1 ATOM 467 N NZ . LYS A 1 60 ? 50.677 8.811 20.488 1.00 83.84 ? 60 LYS A NZ 1 ATOM 468 N N . ASP A 1 61 ? 46.192 9.991 26.192 1.00 18.36 ? 61 ASP A N 1 ATOM 469 C CA . ASP A 1 61 ? 45.150 9.151 26.700 1.00 14.92 ? 61 ASP A CA 1 ATOM 470 C C . ASP A 1 61 ? 43.787 9.811 26.570 1.00 16.37 ? 61 ASP A C 1 ATOM 471 O O . ASP A 1 61 ? 42.814 9.170 26.244 1.00 20.01 ? 61 ASP A O 1 ATOM 472 C CB . ASP A 1 61 ? 45.451 8.818 28.183 1.00 17.91 ? 61 ASP A CB 1 ATOM 473 C CG . ASP A 1 61 ? 45.980 7.422 28.247 1.00 64.99 ? 61 ASP A CG 1 ATOM 474 O OD1 . ASP A 1 61 ? 47.145 7.338 27.653 1.00 56.03 ? 61 ASP A OD1 1 ATOM 475 O OD2 . ASP A 1 61 ? 45.321 6.454 28.620 1.00 80.51 ? 61 ASP A OD2 1 ATOM 476 N N . GLU A 1 62 ? 43.760 11.111 26.847 1.00 15.24 ? 62 GLU A N 1 ATOM 477 C CA . GLU A 1 62 ? 42.569 11.940 26.828 1.00 13.41 ? 62 GLU A CA 1 ATOM 478 C C . GLU A 1 62 ? 42.153 12.064 25.358 1.00 21.45 ? 62 GLU A C 1 ATOM 479 O O . GLU A 1 62 ? 40.998 11.882 25.050 1.00 19.92 ? 62 GLU A O 1 ATOM 480 C CB . GLU A 1 62 ? 42.919 13.303 27.404 1.00 11.14 ? 62 GLU A CB 1 ATOM 481 C CG . GLU A 1 62 ? 42.992 13.255 28.958 1.00 31.17 ? 62 GLU A CG 1 ATOM 482 C CD . GLU A 1 62 ? 43.304 14.589 29.598 1.00 39.91 ? 62 GLU A CD 1 ATOM 483 O OE1 . GLU A 1 62 ? 43.903 15.493 29.009 1.00 23.03 ? 62 GLU A OE1 1 ATOM 484 O OE2 . GLU A 1 62 ? 42.837 14.664 30.835 1.00 29.03 ? 62 GLU A OE2 1 ATOM 485 N N . ALA A 1 63 ? 43.146 12.265 24.445 1.00 15.13 ? 63 ALA A N 1 ATOM 486 C CA . ALA A 1 63 ? 42.835 12.357 22.988 1.00 13.74 ? 63 ALA A CA 1 ATOM 487 C C . ALA A 1 63 ? 42.049 11.125 22.498 1.00 10.01 ? 63 ALA A C 1 ATOM 488 O O . ALA A 1 63 ? 40.989 11.170 21.834 1.00 15.37 ? 63 ALA A O 1 ATOM 489 C CB . ALA A 1 63 ? 44.116 12.539 22.188 1.00 11.39 ? 63 ALA A CB 1 ATOM 490 N N . GLU A 1 64 ? 42.610 9.981 22.881 1.00 14.84 ? 64 GLU A N 1 ATOM 491 C CA . GLU A 1 64 ? 42.043 8.716 22.533 1.00 14.44 ? 64 GLU A CA 1 ATOM 492 C C . GLU A 1 64 ? 40.718 8.428 23.148 1.00 14.39 ? 64 GLU A C 1 ATOM 493 O O . GLU A 1 64 ? 39.883 7.736 22.571 1.00 11.87 ? 64 GLU A O 1 ATOM 494 C CB . GLU A 1 64 ? 42.978 7.600 22.936 1.00 16.91 ? 64 GLU A CB 1 ATOM 495 C CG . GLU A 1 64 ? 43.996 7.475 21.813 1.00 24.65 ? 64 GLU A CG 1 ATOM 496 C CD . GLU A 1 64 ? 45.120 6.591 22.196 1.00 46.15 ? 64 GLU A CD 1 ATOM 497 O OE1 . GLU A 1 64 ? 45.093 5.851 23.170 1.00 49.80 ? 64 GLU A OE1 1 ATOM 498 O OE2 . GLU A 1 64 ? 46.134 6.734 21.381 1.00 42.08 ? 64 GLU A OE2 1 ATOM 499 N N . LYS A 1 65 ? 40.494 8.907 24.317 1.00 13.04 ? 65 LYS A N 1 ATOM 500 C CA . LYS A 1 65 ? 39.190 8.627 24.902 1.00 12.11 ? 65 LYS A CA 1 ATOM 501 C C . LYS A 1 65 ? 38.155 9.399 24.100 1.00 18.69 ? 65 LYS A C 1 ATOM 502 O O . LYS A 1 65 ? 37.090 8.904 23.750 1.00 20.46 ? 65 LYS A O 1 ATOM 503 C CB . LYS A 1 65 ? 39.207 9.108 26.336 1.00 15.97 ? 65 LYS A CB 1 ATOM 504 C CG . LYS A 1 65 ? 37.884 8.999 27.059 1.00 49.86 ? 65 LYS A CG 1 ATOM 505 C CD . LYS A 1 65 ? 38.022 9.127 28.576 1.00 70.79 ? 65 LYS A CD 1 ATOM 506 C CE . LYS A 1 65 ? 37.488 7.893 29.336 1.00 62.27 ? 65 LYS A CE 1 ATOM 507 N NZ . LYS A 1 65 ? 36.638 8.193 30.504 1.00 75.28 ? 65 LYS A NZ 1 ATOM 508 N N . LEU A 1 66 ? 38.497 10.656 23.734 1.00 15.37 ? 66 LEU A N 1 ATOM 509 C CA . LEU A 1 66 ? 37.559 11.420 22.913 1.00 11.89 ? 66 LEU A CA 1 ATOM 510 C C . LEU A 1 66 ? 37.316 10.750 21.574 1.00 12.61 ? 66 LEU A C 1 ATOM 511 O O . LEU A 1 66 ? 36.183 10.793 21.066 1.00 10.00 ? 66 LEU A O 1 ATOM 512 C CB . LEU A 1 66 ? 38.004 12.844 22.495 1.00 10.25 ? 66 LEU A CB 1 ATOM 513 C CG . LEU A 1 66 ? 38.087 13.782 23.716 1.00 16.28 ? 66 LEU A CG 1 ATOM 514 C CD1 . LEU A 1 66 ? 38.693 15.098 23.277 1.00 15.35 ? 66 LEU A CD1 1 ATOM 515 C CD2 . LEU A 1 66 ? 36.719 14.051 24.337 1.00 13.23 ? 66 LEU A CD2 1 ATOM 516 N N . PHE A 1 67 ? 38.399 10.205 21.029 1.00 11.01 ? 67 PHE A N 1 ATOM 517 C CA . PHE A 1 67 ? 38.366 9.496 19.730 1.00 10.35 ? 67 PHE A CA 1 ATOM 518 C C . PHE A 1 67 ? 37.411 8.316 19.762 1.00 14.49 ? 67 PHE A C 1 ATOM 519 O O . PHE A 1 67 ? 36.549 8.122 18.917 1.00 17.71 ? 67 PHE A O 1 ATOM 520 C CB . PHE A 1 67 ? 39.804 9.089 19.400 1.00 9.90 ? 67 PHE A CB 1 ATOM 521 C CG . PHE A 1 67 ? 39.970 8.524 17.983 1.00 12.70 ? 67 PHE A CG 1 ATOM 522 C CD1 . PHE A 1 67 ? 39.230 9.022 16.903 1.00 11.62 ? 67 PHE A CD1 1 ATOM 523 C CD2 . PHE A 1 67 ? 40.888 7.508 17.733 1.00 13.64 ? 67 PHE A CD2 1 ATOM 524 C CE1 . PHE A 1 67 ? 39.428 8.522 15.619 1.00 12.35 ? 67 PHE A CE1 1 ATOM 525 C CE2 . PHE A 1 67 ? 41.125 6.992 16.451 1.00 14.86 ? 67 PHE A CE2 1 ATOM 526 C CZ . PHE A 1 67 ? 40.358 7.498 15.398 1.00 12.83 ? 67 PHE A CZ 1 ATOM 527 N N . ASN A 1 68 ? 37.536 7.519 20.811 1.00 14.53 ? 68 ASN A N 1 ATOM 528 C CA . ASN A 1 68 ? 36.663 6.379 21.022 1.00 8.52 ? 68 ASN A CA 1 ATOM 529 C C . ASN A 1 68 ? 35.228 6.775 21.114 1.00 11.41 ? 68 ASN A C 1 ATOM 530 O O . ASN A 1 68 ? 34.361 6.107 20.574 1.00 13.02 ? 68 ASN A O 1 ATOM 531 C CB . ASN A 1 68 ? 36.954 5.600 22.341 1.00 16.85 ? 68 ASN A CB 1 ATOM 532 C CG . ASN A 1 68 ? 38.115 4.608 22.221 1.00 37.93 ? 68 ASN A CG 1 ATOM 533 O OD1 . ASN A 1 68 ? 38.215 3.901 21.224 1.00 32.14 ? 68 ASN A OD1 1 ATOM 534 N ND2 . ASN A 1 68 ? 39.012 4.546 23.203 1.00 24.25 ? 68 ASN A ND2 1 ATOM 535 N N . GLN A 1 69 ? 34.957 7.867 21.835 1.00 7.33 ? 69 GLN A N 1 ATOM 536 C CA . GLN A 1 69 ? 33.592 8.311 21.934 1.00 8.29 ? 69 GLN A CA 1 ATOM 537 C C . GLN A 1 69 ? 33.066 8.810 20.589 1.00 15.42 ? 69 GLN A C 1 ATOM 538 O O . GLN A 1 69 ? 31.908 8.684 20.247 1.00 16.86 ? 69 GLN A O 1 ATOM 539 C CB . GLN A 1 69 ? 33.488 9.562 22.848 1.00 6.96 ? 69 GLN A CB 1 ATOM 540 C CG . GLN A 1 69 ? 33.864 9.143 24.267 1.00 13.52 ? 69 GLN A CG 1 ATOM 541 C CD . GLN A 1 69 ? 33.989 10.268 25.282 1.00 22.87 ? 69 GLN A CD 1 ATOM 542 O OE1 . GLN A 1 69 ? 33.997 9.992 26.460 1.00 20.61 ? 69 GLN A OE1 1 ATOM 543 N NE2 . GLN A 1 69 ? 33.949 11.536 24.878 1.00 11.61 ? 69 GLN A NE2 1 ATOM 544 N N . ASP A 1 70 ? 33.945 9.460 19.832 1.00 12.08 ? 70 ASP A N 1 ATOM 545 C CA . ASP A 1 70 ? 33.533 10.012 18.568 1.00 7.84 ? 70 ASP A CA 1 ATOM 546 C C . ASP A 1 70 ? 33.279 8.936 17.503 1.00 8.41 ? 70 ASP A C 1 ATOM 547 O O . ASP A 1 70 ? 32.357 9.046 16.706 1.00 12.55 ? 70 ASP A O 1 ATOM 548 C CB . ASP A 1 70 ? 34.545 11.045 17.983 1.00 6.38 ? 70 ASP A CB 1 ATOM 549 C CG . ASP A 1 70 ? 34.577 12.318 18.752 1.00 19.37 ? 70 ASP A CG 1 ATOM 550 O OD1 . ASP A 1 70 ? 33.738 12.615 19.557 1.00 19.14 ? 70 ASP A OD1 1 ATOM 551 O OD2 . ASP A 1 70 ? 35.753 12.850 18.715 1.00 19.11 ? 70 ASP A OD2 1 ATOM 552 N N . VAL A 1 71 ? 34.088 7.851 17.544 1.00 10.89 ? 71 VAL A N 1 ATOM 553 C CA . VAL A 1 71 ? 33.869 6.809 16.593 1.00 15.55 ? 71 VAL A CA 1 ATOM 554 C C . VAL A 1 71 ? 32.548 6.171 16.911 1.00 17.14 ? 71 VAL A C 1 ATOM 555 O O . VAL A 1 71 ? 31.692 5.920 16.071 1.00 15.69 ? 71 VAL A O 1 ATOM 556 C CB . VAL A 1 71 ? 35.057 5.817 16.551 1.00 15.10 ? 71 VAL A CB 1 ATOM 557 C CG1 . VAL A 1 71 ? 34.641 4.634 15.695 1.00 8.52 ? 71 VAL A CG1 1 ATOM 558 C CG2 . VAL A 1 71 ? 36.291 6.481 15.923 1.00 8.86 ? 71 VAL A CG2 1 ATOM 559 N N . ASP A 1 72 ? 32.398 5.910 18.184 1.00 11.04 ? 72 ASP A N 1 ATOM 560 C CA . ASP A 1 72 ? 31.140 5.279 18.595 1.00 9.76 ? 72 ASP A CA 1 ATOM 561 C C . ASP A 1 72 ? 29.955 6.060 18.216 1.00 9.42 ? 72 ASP A C 1 ATOM 562 O O . ASP A 1 72 ? 28.886 5.576 17.688 1.00 15.73 ? 72 ASP A O 1 ATOM 563 C CB . ASP A 1 72 ? 31.301 4.977 20.108 1.00 14.05 ? 72 ASP A CB 1 ATOM 564 C CG . ASP A 1 72 ? 30.265 4.034 20.625 1.00 33.24 ? 72 ASP A CG 1 ATOM 565 O OD1 . ASP A 1 72 ? 30.482 2.801 20.309 1.00 52.89 ? 72 ASP A OD1 1 ATOM 566 O OD2 . ASP A 1 72 ? 29.318 4.391 21.226 1.00 29.58 ? 72 ASP A OD2 1 ATOM 567 N N . ALA A 1 73 ? 30.067 7.344 18.477 1.00 14.23 ? 73 ALA A N 1 ATOM 568 C CA . ALA A 1 73 ? 28.926 8.224 18.138 1.00 14.43 ? 73 ALA A CA 1 ATOM 569 C C . ALA A 1 73 ? 28.594 8.265 16.627 1.00 19.12 ? 73 ALA A C 1 ATOM 570 O O . ALA A 1 73 ? 27.428 8.426 16.144 1.00 15.68 ? 73 ALA A O 1 ATOM 571 C CB . ALA A 1 73 ? 29.264 9.681 18.439 1.00 14.75 ? 73 ALA A CB 1 ATOM 572 N N . ALA A 1 74 ? 29.658 8.167 15.822 1.00 18.15 ? 74 ALA A N 1 ATOM 573 C CA . ALA A 1 74 ? 29.488 8.171 14.337 1.00 14.19 ? 74 ALA A CA 1 ATOM 574 C C . ALA A 1 74 ? 28.748 6.891 13.921 1.00 14.78 ? 74 ALA A C 1 ATOM 575 O O . ALA A 1 74 ? 27.779 6.939 13.196 1.00 17.32 ? 74 ALA A O 1 ATOM 576 C CB . ALA A 1 74 ? 30.791 8.104 13.521 1.00 14.29 ? 74 ALA A CB 1 ATOM 577 N N . VAL A 1 75 ? 29.203 5.773 14.399 1.00 15.73 ? 75 VAL A N 1 ATOM 578 C CA . VAL A 1 75 ? 28.509 4.557 14.050 1.00 15.82 ? 75 VAL A CA 1 ATOM 579 C C . VAL A 1 75 ? 27.050 4.561 14.517 1.00 20.13 ? 75 VAL A C 1 ATOM 580 O O . VAL A 1 75 ? 26.153 4.125 13.770 1.00 19.89 ? 75 VAL A O 1 ATOM 581 C CB . VAL A 1 75 ? 29.180 3.382 14.672 1.00 17.20 ? 75 VAL A CB 1 ATOM 582 C CG1 . VAL A 1 75 ? 28.342 2.128 14.465 1.00 16.89 ? 75 VAL A CG1 1 ATOM 583 C CG2 . VAL A 1 75 ? 30.538 3.213 14.032 1.00 20.34 ? 75 VAL A CG2 1 ATOM 584 N N . ARG A 1 76 ? 26.798 5.030 15.746 1.00 15.28 ? 76 ARG A N 1 ATOM 585 C CA . ARG A 1 76 ? 25.424 5.045 16.218 1.00 18.08 ? 76 ARG A CA 1 ATOM 586 C C . ARG A 1 76 ? 24.564 6.000 15.402 1.00 14.36 ? 76 ARG A C 1 ATOM 587 O O . ARG A 1 76 ? 23.422 5.673 15.134 1.00 22.02 ? 76 ARG A O 1 ATOM 588 C CB . ARG A 1 76 ? 25.266 5.340 17.704 1.00 17.21 ? 76 ARG A CB 1 ATOM 589 C CG . ARG A 1 76 ? 25.875 4.289 18.580 1.00 46.86 ? 76 ARG A CG 1 ATOM 590 C CD . ARG A 1 76 ? 25.092 3.005 18.887 1.00 63.13 ? 76 ARG A CD 1 ATOM 591 N NE . ARG A 1 76 ? 23.701 3.051 19.379 1.00 97.56 ? 76 ARG A NE 1 ATOM 592 C CZ . ARG A 1 76 ? 23.307 2.853 20.657 1.00 64.13 ? 76 ARG A CZ 1 ATOM 593 N NH1 . ARG A 1 76 ? 24.182 2.663 21.648 1.00 36.14 ? 76 ARG A NH1 1 ATOM 594 N NH2 . ARG A 1 76 ? 21.998 2.879 20.951 1.00 31.89 ? 76 ARG A NH2 1 ATOM 595 N N . GLY A 1 77 ? 25.115 7.173 14.996 1.00 11.98 ? 77 GLY A N 1 ATOM 596 C CA . GLY A 1 77 ? 24.399 8.149 14.158 1.00 12.86 ? 77 GLY A CA 1 ATOM 597 C C . GLY A 1 77 ? 24.023 7.561 12.796 1.00 20.93 ? 77 GLY A C 1 ATOM 598 O O . GLY A 1 77 ? 22.996 7.808 12.207 1.00 25.09 ? 77 GLY A O 1 ATOM 599 N N . ILE A 1 78 ? 24.892 6.782 12.223 1.00 17.53 ? 78 ILE A N 1 ATOM 600 C CA . ILE A 1 78 ? 24.586 6.110 10.971 1.00 13.43 ? 78 ILE A CA 1 ATOM 601 C C . ILE A 1 78 ? 23.436 5.133 11.237 1.00 21.19 ? 78 ILE A C 1 ATOM 602 O O . ILE A 1 78 ? 22.503 5.042 10.476 1.00 19.80 ? 78 ILE A O 1 ATOM 603 C CB . ILE A 1 78 ? 25.810 5.248 10.481 1.00 9.70 ? 78 ILE A CB 1 ATOM 604 C CG1 . ILE A 1 78 ? 26.905 6.148 9.924 1.00 10.71 ? 78 ILE A CG1 1 ATOM 605 C CG2 . ILE A 1 78 ? 25.422 4.192 9.432 1.00 11.84 ? 78 ILE A CG2 1 ATOM 606 C CD1 . ILE A 1 78 ? 28.207 5.356 9.570 1.00 13.65 ? 78 ILE A CD1 1 ATOM 607 N N . LEU A 1 79 ? 23.507 4.353 12.328 1.00 14.09 ? 79 LEU A N 1 ATOM 608 C CA . LEU A 1 79 ? 22.492 3.320 12.587 1.00 14.95 ? 79 LEU A CA 1 ATOM 609 C C . LEU A 1 79 ? 21.119 3.859 12.886 1.00 24.76 ? 79 LEU A C 1 ATOM 610 O O . LEU A 1 79 ? 20.130 3.195 12.752 1.00 25.56 ? 79 LEU A O 1 ATOM 611 C CB . LEU A 1 79 ? 22.976 2.282 13.637 1.00 14.55 ? 79 LEU A CB 1 ATOM 612 C CG . LEU A 1 79 ? 24.200 1.529 13.183 1.00 17.05 ? 79 LEU A CG 1 ATOM 613 C CD1 . LEU A 1 79 ? 24.610 0.591 14.277 1.00 19.80 ? 79 LEU A CD1 1 ATOM 614 C CD2 . LEU A 1 79 ? 23.891 0.686 11.960 1.00 20.67 ? 79 LEU A CD2 1 ATOM 615 N N . ARG A 1 80 ? 21.032 5.084 13.308 1.00 24.75 ? 80 ARG A N 1 ATOM 616 C CA . ARG A 1 80 ? 19.747 5.678 13.593 1.00 21.32 ? 80 ARG A CA 1 ATOM 617 C C . ARG A 1 80 ? 19.256 6.534 12.425 1.00 33.21 ? 80 ARG A C 1 ATOM 618 O O . ARG A 1 80 ? 18.096 6.918 12.357 1.00 39.58 ? 80 ARG A O 1 ATOM 619 C CB . ARG A 1 80 ? 19.725 6.451 14.950 1.00 20.64 ? 80 ARG A CB 1 ATOM 620 C CG . ARG A 1 80 ? 20.180 5.680 16.249 1.00 65.81 ? 80 ARG A CG 1 ATOM 621 C CD . ARG A 1 80 ? 19.516 4.338 16.683 1.00 100.00 ? 80 ARG A CD 1 ATOM 622 N NE . ARG A 1 80 ? 18.792 4.292 18.015 1.00 100.00 ? 80 ARG A NE 1 ATOM 623 C CZ . ARG A 1 80 ? 19.264 4.365 19.305 1.00 100.00 ? 80 ARG A CZ 1 ATOM 624 N NH1 . ARG A 1 80 ? 20.567 4.544 19.547 1.00 100.00 ? 80 ARG A NH1 1 ATOM 625 N NH2 . ARG A 1 80 ? 18.430 4.301 20.370 1.00 64.14 ? 80 ARG A NH2 1 ATOM 626 N N . ASN A 1 81 ? 20.128 6.843 11.470 1.00 22.86 ? 81 ASN A N 1 ATOM 627 C CA . ASN A 1 81 ? 19.730 7.635 10.373 1.00 17.73 ? 81 ASN A CA 1 ATOM 628 C C . ASN A 1 81 ? 18.993 6.757 9.355 1.00 27.22 ? 81 ASN A C 1 ATOM 629 O O . ASN A 1 81 ? 19.488 5.735 8.868 1.00 22.53 ? 81 ASN A O 1 ATOM 630 C CB . ASN A 1 81 ? 20.896 8.505 9.896 1.00 13.97 ? 81 ASN A CB 1 ATOM 631 C CG . ASN A 1 81 ? 20.381 9.466 8.873 1.00 35.74 ? 81 ASN A CG 1 ATOM 632 O OD1 . ASN A 1 81 ? 19.823 9.024 7.867 1.00 24.33 ? 81 ASN A OD1 1 ATOM 633 N ND2 . ASN A 1 81 ? 20.412 10.750 9.193 1.00 25.96 ? 81 ASN A ND2 1 ATOM 634 N N . ALA A 1 82 ? 17.762 7.165 9.037 1.00 24.42 ? 82 ALA A N 1 ATOM 635 C CA . ALA A 1 82 ? 16.926 6.409 8.137 1.00 23.92 ? 82 ALA A CA 1 ATOM 636 C C . ALA A 1 82 ? 17.472 6.313 6.718 1.00 28.61 ? 82 ALA A C 1 ATOM 637 O O . ALA A 1 82 ? 17.211 5.382 5.973 1.00 25.51 ? 82 ALA A O 1 ATOM 638 C CB . ALA A 1 82 ? 15.600 7.119 8.104 1.00 27.95 ? 82 ALA A CB 1 ATOM 639 N N . LYS A 1 83 ? 18.257 7.311 6.358 1.00 25.04 ? 83 LYS A N 1 ATOM 640 C CA . LYS A 1 83 ? 18.869 7.380 5.066 1.00 20.32 ? 83 LYS A CA 1 ATOM 641 C C . LYS A 1 83 ? 20.201 6.654 5.043 1.00 23.68 ? 83 LYS A C 1 ATOM 642 O O . LYS A 1 83 ? 20.548 6.044 4.041 1.00 21.56 ? 83 LYS A O 1 ATOM 643 C CB . LYS A 1 83 ? 18.973 8.830 4.638 1.00 17.85 ? 83 LYS A CB 1 ATOM 644 C CG . LYS A 1 83 ? 18.046 9.141 3.480 1.00 78.38 ? 83 LYS A CG 1 ATOM 645 C CD . LYS A 1 83 ? 17.776 10.627 3.324 1.00 100.00 ? 83 LYS A CD 1 ATOM 646 C CE . LYS A 1 83 ? 16.441 11.061 3.934 1.00 100.00 ? 83 LYS A CE 1 ATOM 647 N NZ . LYS A 1 83 ? 16.033 12.436 3.545 1.00 100.00 ? 83 LYS A NZ 1 ATOM 648 N N . LEU A 1 84 ? 20.948 6.667 6.168 1.00 19.42 ? 84 LEU A N 1 ATOM 649 C CA . LEU A 1 84 ? 22.281 6.013 6.146 1.00 19.21 ? 84 LEU A CA 1 ATOM 650 C C . LEU A 1 84 ? 22.277 4.533 6.430 1.00 17.49 ? 84 LEU A C 1 ATOM 651 O O . LEU A 1 84 ? 23.070 3.761 5.909 1.00 16.41 ? 84 LEU A O 1 ATOM 652 C CB . LEU A 1 84 ? 23.337 6.789 7.005 1.00 19.57 ? 84 LEU A CB 1 ATOM 653 C CG . LEU A 1 84 ? 23.407 8.306 6.683 1.00 26.57 ? 84 LEU A CG 1 ATOM 654 C CD1 . LEU A 1 84 ? 24.202 9.111 7.732 1.00 20.08 ? 84 LEU A CD1 1 ATOM 655 C CD2 . LEU A 1 84 ? 24.034 8.561 5.300 1.00 18.98 ? 84 LEU A CD2 1 ATOM 656 N N . LYS A 1 85 ? 21.410 4.164 7.331 1.00 13.30 ? 85 LYS A N 1 ATOM 657 C CA . LYS A 1 85 ? 21.377 2.801 7.777 1.00 16.29 ? 85 LYS A CA 1 ATOM 658 C C . LYS A 1 85 ? 21.271 1.770 6.688 1.00 15.47 ? 85 LYS A C 1 ATOM 659 O O . LYS A 1 85 ? 22.001 0.804 6.658 1.00 16.46 ? 85 LYS A O 1 ATOM 660 C CB . LYS A 1 85 ? 20.281 2.636 8.795 1.00 18.40 ? 85 LYS A CB 1 ATOM 661 C CG . LYS A 1 85 ? 20.305 1.233 9.316 1.00 21.49 ? 85 LYS A CG 1 ATOM 662 C CD . LYS A 1 85 ? 19.317 0.953 10.435 1.00 26.69 ? 85 LYS A CD 1 ATOM 663 C CE . LYS A 1 85 ? 19.653 -0.372 11.118 1.00 36.95 ? 85 LYS A CE 1 ATOM 664 N NZ . LYS A 1 85 ? 19.359 -1.534 10.275 1.00 41.81 ? 85 LYS A NZ 1 ATOM 665 N N . PRO A 1 86 ? 20.368 1.963 5.782 1.00 15.89 ? 86 PRO A N 1 ATOM 666 C CA . PRO A 1 86 ? 20.201 0.996 4.724 1.00 19.77 ? 86 PRO A CA 1 ATOM 667 C C . PRO A 1 86 ? 21.429 0.900 3.852 1.00 19.37 ? 86 PRO A C 1 ATOM 668 O O . PRO A 1 86 ? 21.795 -0.170 3.351 1.00 16.58 ? 86 PRO A O 1 ATOM 669 C CB . PRO A 1 86 ? 18.960 1.420 3.936 1.00 20.42 ? 86 PRO A CB 1 ATOM 670 C CG . PRO A 1 86 ? 18.555 2.762 4.476 1.00 26.10 ? 86 PRO A CG 1 ATOM 671 C CD . PRO A 1 86 ? 19.298 2.970 5.765 1.00 17.57 ? 86 PRO A CD 1 ATOM 672 N N . VAL A 1 87 ? 22.108 2.020 3.644 1.00 14.81 ? 87 VAL A N 1 ATOM 673 C CA . VAL A 1 87 ? 23.345 1.977 2.840 1.00 18.13 ? 87 VAL A CA 1 ATOM 674 C C . VAL A 1 87 ? 24.402 1.190 3.598 1.00 19.24 ? 87 VAL A C 1 ATOM 675 O O . VAL A 1 87 ? 25.018 0.250 3.121 1.00 17.59 ? 87 VAL A O 1 ATOM 676 C CB . VAL A 1 87 ? 23.866 3.379 2.541 1.00 16.52 ? 87 VAL A CB 1 ATOM 677 C CG1 . VAL A 1 87 ? 25.032 3.330 1.591 1.00 10.88 ? 87 VAL A CG1 1 ATOM 678 C CG2 . VAL A 1 87 ? 22.721 4.244 1.970 1.00 16.90 ? 87 VAL A CG2 1 ATOM 679 N N . TYR A 1 88 ? 24.598 1.583 4.824 1.00 17.01 ? 88 TYR A N 1 ATOM 680 C CA . TYR A 1 88 ? 25.534 0.920 5.681 1.00 13.59 ? 88 TYR A CA 1 ATOM 681 C C . TYR A 1 88 ? 25.289 -0.541 5.741 1.00 14.28 ? 88 TYR A C 1 ATOM 682 O O . TYR A 1 88 ? 26.208 -1.331 5.641 1.00 15.76 ? 88 TYR A O 1 ATOM 683 C CB . TYR A 1 88 ? 25.294 1.391 7.114 1.00 14.44 ? 88 TYR A CB 1 ATOM 684 C CG . TYR A 1 88 ? 26.377 0.958 8.036 1.00 16.55 ? 88 TYR A CG 1 ATOM 685 C CD1 . TYR A 1 88 ? 27.582 1.652 8.068 1.00 17.40 ? 88 TYR A CD1 1 ATOM 686 C CD2 . TYR A 1 88 ? 26.172 -0.171 8.820 1.00 23.74 ? 88 TYR A CD2 1 ATOM 687 C CE1 . TYR A 1 88 ? 28.556 1.258 8.980 1.00 14.55 ? 88 TYR A CE1 1 ATOM 688 C CE2 . TYR A 1 88 ? 27.143 -0.589 9.718 1.00 27.72 ? 88 TYR A CE2 1 ATOM 689 C CZ . TYR A 1 88 ? 28.317 0.158 9.800 1.00 28.17 ? 88 TYR A CZ 1 ATOM 690 O OH . TYR A 1 88 ? 29.302 -0.235 10.639 1.00 29.53 ? 88 TYR A OH 1 ATOM 691 N N . ASP A 1 89 ? 24.029 -0.915 5.911 1.00 16.45 ? 89 ASP A N 1 ATOM 692 C CA . ASP A 1 89 ? 23.737 -2.322 5.977 1.00 12.39 ? 89 ASP A CA 1 ATOM 693 C C . ASP A 1 89 ? 24.036 -3.050 4.703 1.00 21.38 ? 89 ASP A C 1 ATOM 694 O O . ASP A 1 89 ? 24.299 -4.235 4.749 1.00 20.47 ? 89 ASP A O 1 ATOM 695 C CB . ASP A 1 89 ? 22.256 -2.695 6.236 1.00 15.28 ? 89 ASP A CB 1 ATOM 696 C CG . ASP A 1 89 ? 21.832 -2.490 7.679 1.00 27.96 ? 89 ASP A CG 1 ATOM 697 O OD1 . ASP A 1 89 ? 22.849 -2.396 8.502 1.00 14.57 ? 89 ASP A OD1 1 ATOM 698 O OD2 . ASP A 1 89 ? 20.675 -2.293 8.009 1.00 23.18 ? 89 ASP A OD2 1 ATOM 699 N N . SER A 1 90 ? 24.044 -2.377 3.530 1.00 15.03 ? 90 SER A N 1 ATOM 700 C CA . SER A 1 90 ? 24.294 -3.143 2.328 1.00 12.59 ? 90 SER A CA 1 ATOM 701 C C . SER A 1 90 ? 25.740 -3.309 1.983 1.00 12.87 ? 90 SER A C 1 ATOM 702 O O . SER A 1 90 ? 26.127 -4.042 1.092 1.00 17.44 ? 90 SER A O 1 ATOM 703 C CB . SER A 1 90 ? 23.581 -2.458 1.182 1.00 20.16 ? 90 SER A CB 1 ATOM 704 O OG . SER A 1 90 ? 24.275 -1.236 0.888 1.00 13.74 ? 90 SER A OG 1 ATOM 705 N N . LEU A 1 91 ? 26.596 -2.573 2.666 1.00 12.28 ? 91 LEU A N 1 ATOM 706 C CA . LEU A 1 91 ? 28.007 -2.595 2.308 1.00 10.05 ? 91 LEU A CA 1 ATOM 707 C C . LEU A 1 91 ? 28.853 -3.681 2.943 1.00 12.60 ? 91 LEU A C 1 ATOM 708 O O . LEU A 1 91 ? 28.494 -4.217 3.961 1.00 17.51 ? 91 LEU A O 1 ATOM 709 C CB . LEU A 1 91 ? 28.667 -1.266 2.744 1.00 8.20 ? 91 LEU A CB 1 ATOM 710 C CG . LEU A 1 91 ? 28.205 0.021 2.015 1.00 15.97 ? 91 LEU A CG 1 ATOM 711 C CD1 . LEU A 1 91 ? 28.851 1.303 2.601 1.00 16.55 ? 91 LEU A CD1 1 ATOM 712 C CD2 . LEU A 1 91 ? 28.590 -0.001 0.546 1.00 10.18 ? 91 LEU A CD2 1 ATOM 713 N N . ASP A 1 92 ? 30.004 -3.977 2.391 1.00 12.90 ? 92 ASP A N 1 ATOM 714 C CA . ASP A 1 92 ? 30.969 -4.921 2.983 1.00 10.46 ? 92 ASP A CA 1 ATOM 715 C C . ASP A 1 92 ? 31.755 -4.209 4.074 1.00 13.31 ? 92 ASP A C 1 ATOM 716 O O . ASP A 1 92 ? 31.621 -2.996 4.266 1.00 12.61 ? 92 ASP A O 1 ATOM 717 C CB . ASP A 1 92 ? 31.920 -5.467 1.908 1.00 12.46 ? 92 ASP A CB 1 ATOM 718 C CG . ASP A 1 92 ? 32.546 -4.305 1.237 1.00 14.89 ? 92 ASP A CG 1 ATOM 719 O OD1 . ASP A 1 92 ? 31.840 -3.828 0.252 1.00 18.46 ? 92 ASP A OD1 1 ATOM 720 O OD2 . ASP A 1 92 ? 33.565 -3.809 1.645 1.00 21.77 ? 92 ASP A OD2 1 ATOM 721 N N . ALA A 1 93 ? 32.579 -4.935 4.828 1.00 15.03 ? 93 ALA A N 1 ATOM 722 C CA . ALA A 1 93 ? 33.251 -4.306 5.948 1.00 13.95 ? 93 ALA A CA 1 ATOM 723 C C . ALA A 1 93 ? 34.182 -3.143 5.636 1.00 19.40 ? 93 ALA A C 1 ATOM 724 O O . ALA A 1 93 ? 34.296 -2.188 6.416 1.00 15.95 ? 93 ALA A O 1 ATOM 725 C CB . ALA A 1 93 ? 33.944 -5.351 6.799 1.00 12.89 ? 93 ALA A CB 1 ATOM 726 N N . VAL A 1 94 ? 34.863 -3.199 4.503 1.00 14.92 ? 94 VAL A N 1 ATOM 727 C CA . VAL A 1 94 ? 35.762 -2.141 4.193 1.00 9.62 ? 94 VAL A CA 1 ATOM 728 C C . VAL A 1 94 ? 35.027 -0.906 3.846 1.00 14.73 ? 94 VAL A C 1 ATOM 729 O O . VAL A 1 94 ? 35.393 0.179 4.246 1.00 18.20 ? 94 VAL A O 1 ATOM 730 C CB . VAL A 1 94 ? 36.731 -2.594 3.096 1.00 14.84 ? 94 VAL A CB 1 ATOM 731 C CG1 . VAL A 1 94 ? 37.654 -1.467 2.686 1.00 9.74 ? 94 VAL A CG1 1 ATOM 732 C CG2 . VAL A 1 94 ? 37.609 -3.682 3.673 1.00 12.18 ? 94 VAL A CG2 1 ATOM 733 N N . ARG A 1 95 ? 34.002 -1.046 3.063 1.00 10.99 ? 95 ARG A N 1 ATOM 734 C CA . ARG A 1 95 ? 33.319 0.154 2.621 1.00 10.68 ? 95 ARG A CA 1 ATOM 735 C C . ARG A 1 95 ? 32.494 0.754 3.718 1.00 7.33 ? 95 ARG A C 1 ATOM 736 O O . ARG A 1 95 ? 32.131 1.931 3.698 1.00 12.39 ? 95 ARG A O 1 ATOM 737 C CB . ARG A 1 95 ? 32.440 -0.187 1.427 1.00 10.72 ? 95 ARG A CB 1 ATOM 738 C CG . ARG A 1 95 ? 33.201 -0.500 0.110 1.00 10.85 ? 95 ARG A CG 1 ATOM 739 C CD . ARG A 1 95 ? 32.226 -0.656 -1.075 1.00 13.41 ? 95 ARG A CD 1 ATOM 740 N NE . ARG A 1 95 ? 32.926 -0.816 -2.348 1.00 11.69 ? 95 ARG A NE 1 ATOM 741 C CZ . ARG A 1 95 ? 33.342 -1.972 -2.858 1.00 26.92 ? 95 ARG A CZ 1 ATOM 742 N NH1 . ARG A 1 95 ? 33.118 -3.138 -2.253 1.00 10.79 ? 95 ARG A NH1 1 ATOM 743 N NH2 . ARG A 1 95 ? 33.974 -1.917 -4.032 1.00 15.01 ? 95 ARG A NH2 1 ATOM 744 N N . ARG A 1 96 ? 32.130 -0.041 4.700 1.00 10.38 ? 96 ARG A N 1 ATOM 745 C CA . ARG A 1 96 ? 31.364 0.553 5.840 1.00 12.92 ? 96 ARG A CA 1 ATOM 746 C C . ARG A 1 96 ? 32.276 1.532 6.572 1.00 9.09 ? 96 ARG A C 1 ATOM 747 O O . ARG A 1 96 ? 31.847 2.580 7.064 1.00 12.38 ? 96 ARG A O 1 ATOM 748 C CB . ARG A 1 96 ? 31.033 -0.511 6.909 1.00 8.72 ? 96 ARG A CB 1 ATOM 749 C CG . ARG A 1 96 ? 30.019 -1.500 6.365 1.00 13.79 ? 96 ARG A CG 1 ATOM 750 C CD . ARG A 1 96 ? 29.455 -2.489 7.402 1.00 17.81 ? 96 ARG A CD 1 ATOM 751 N NE . ARG A 1 96 ? 28.182 -3.062 6.919 1.00 22.39 ? 96 ARG A NE 1 ATOM 752 C CZ . ARG A 1 96 ? 27.709 -4.238 7.320 1.00 26.50 ? 96 ARG A CZ 1 ATOM 753 N NH1 . ARG A 1 96 ? 28.367 -4.938 8.235 1.00 40.14 ? 96 ARG A NH1 1 ATOM 754 N NH2 . ARG A 1 96 ? 26.563 -4.713 6.823 1.00 17.98 ? 96 ARG A NH2 1 ATOM 755 N N . ALA A 1 97 ? 33.566 1.135 6.644 1.00 8.43 ? 97 ALA A N 1 ATOM 756 C CA . ALA A 1 97 ? 34.574 1.956 7.261 1.00 10.03 ? 97 ALA A CA 1 ATOM 757 C C . ALA A 1 97 ? 34.680 3.280 6.506 1.00 17.11 ? 97 ALA A C 1 ATOM 758 O O . ALA A 1 97 ? 34.839 4.296 7.151 1.00 10.72 ? 97 ALA A O 1 ATOM 759 C CB . ALA A 1 97 ? 35.937 1.283 7.407 1.00 11.80 ? 97 ALA A CB 1 ATOM 760 N N . ALA A 1 98 ? 34.561 3.312 5.165 1.00 12.44 ? 98 ALA A N 1 ATOM 761 C CA . ALA A 1 98 ? 34.652 4.585 4.404 1.00 10.60 ? 98 ALA A CA 1 ATOM 762 C C . ALA A 1 98 ? 33.400 5.437 4.683 1.00 13.04 ? 98 ALA A C 1 ATOM 763 O O . ALA A 1 98 ? 33.381 6.669 4.723 1.00 11.83 ? 98 ALA A O 1 ATOM 764 C CB . ALA A 1 98 ? 34.789 4.354 2.883 1.00 9.52 ? 98 ALA A CB 1 ATOM 765 N N . LEU A 1 99 ? 32.276 4.800 4.941 1.00 6.70 ? 99 LEU A N 1 ATOM 766 C CA . LEU A 1 99 ? 31.092 5.620 5.255 1.00 7.75 ? 99 LEU A CA 1 ATOM 767 C C . LEU A 1 99 ? 31.287 6.179 6.657 1.00 10.41 ? 99 LEU A C 1 ATOM 768 O O . LEU A 1 99 ? 30.960 7.325 6.905 1.00 10.72 ? 99 LEU A O 1 ATOM 769 C CB . LEU A 1 99 ? 29.777 4.772 5.177 1.00 10.27 ? 99 LEU A CB 1 ATOM 770 C CG . LEU A 1 99 ? 28.446 5.473 5.357 1.00 12.16 ? 99 LEU A CG 1 ATOM 771 C CD1 . LEU A 1 99 ? 28.150 6.415 4.210 1.00 16.10 ? 99 LEU A CD1 1 ATOM 772 C CD2 . LEU A 1 99 ? 27.326 4.434 5.415 1.00 15.40 ? 99 LEU A CD2 1 ATOM 773 N N . ILE A 1 100 ? 31.817 5.359 7.603 1.00 10.53 ? 100 ILE A N 1 ATOM 774 C CA . ILE A 1 100 ? 32.034 5.899 8.928 1.00 10.24 ? 100 ILE A CA 1 ATOM 775 C C . ILE A 1 100 ? 32.973 7.116 8.881 1.00 12.95 ? 100 ILE A C 1 ATOM 776 O O . ILE A 1 100 ? 32.773 8.121 9.541 1.00 17.59 ? 100 ILE A O 1 ATOM 777 C CB . ILE A 1 100 ? 32.539 4.829 9.869 1.00 14.79 ? 100 ILE A CB 1 ATOM 778 C CG1 . ILE A 1 100 ? 31.499 3.721 10.121 1.00 11.91 ? 100 ILE A CG1 1 ATOM 779 C CG2 . ILE A 1 100 ? 32.884 5.428 11.219 1.00 7.39 ? 100 ILE A CG2 1 ATOM 780 C CD1 . ILE A 1 100 ? 32.198 2.504 10.759 1.00 6.53 ? 100 ILE A CD1 1 ATOM 781 N N . ASN A 1 101 ? 34.045 7.067 8.074 1.00 11.59 ? 101 ASN A N 1 ATOM 782 C CA . ASN A 1 101 ? 34.988 8.173 7.955 1.00 6.14 ? 101 ASN A CA 1 ATOM 783 C C . ASN A 1 101 ? 34.267 9.492 7.562 1.00 11.97 ? 101 ASN A C 1 ATOM 784 O O . ASN A 1 101 ? 34.502 10.562 8.120 1.00 14.46 ? 101 ASN A O 1 ATOM 785 C CB . ASN A 1 101 ? 36.076 7.699 6.924 1.00 14.46 ? 101 ASN A CB 1 ATOM 786 C CG . ASN A 1 101 ? 37.317 8.602 6.739 1.00 13.13 ? 101 ASN A CG 1 ATOM 787 O OD1 . ASN A 1 101 ? 37.222 9.831 6.635 1.00 12.99 ? 101 ASN A OD1 1 ATOM 788 N ND2 . ASN A 1 101 ? 38.500 8.059 6.887 1.00 11.16 ? 101 ASN A ND2 1 ATOM 789 N N . MET A 1 102 ? 33.415 9.442 6.515 1.00 10.44 ? 102 MET A N 1 ATOM 790 C CA . MET A 1 102 ? 32.748 10.629 6.042 1.00 13.16 ? 102 MET A CA 1 ATOM 791 C C . MET A 1 102 ? 31.847 11.170 7.127 1.00 13.64 ? 102 MET A C 1 ATOM 792 O O . MET A 1 102 ? 31.749 12.364 7.315 1.00 12.32 ? 102 MET A O 1 ATOM 793 C CB . MET A 1 102 ? 31.902 10.512 4.723 1.00 11.47 ? 102 MET A CB 1 ATOM 794 C CG . MET A 1 102 ? 32.597 9.807 3.579 1.00 13.46 ? 102 MET A CG 1 ATOM 795 S SD . MET A 1 102 ? 31.512 9.672 2.127 1.00 18.94 ? 102 MET A SD 1 ATOM 796 C CE . MET A 1 102 ? 31.038 11.407 1.932 1.00 12.27 ? 102 MET A CE 1 ATOM 797 N N . VAL A 1 103 ? 31.193 10.246 7.830 1.00 10.85 ? 103 VAL A N 1 ATOM 798 C CA . VAL A 1 103 ? 30.283 10.699 8.881 1.00 13.20 ? 103 VAL A CA 1 ATOM 799 C C . VAL A 1 103 ? 31.073 11.374 9.990 1.00 17.46 ? 103 VAL A C 1 ATOM 800 O O . VAL A 1 103 ? 30.721 12.420 10.501 1.00 16.37 ? 103 VAL A O 1 ATOM 801 C CB . VAL A 1 103 ? 29.366 9.597 9.399 1.00 12.94 ? 103 VAL A CB 1 ATOM 802 C CG1 . VAL A 1 103 ? 28.577 10.088 10.611 1.00 11.01 ? 103 VAL A CG1 1 ATOM 803 C CG2 . VAL A 1 103 ? 28.221 9.313 8.459 1.00 7.75 ? 103 VAL A CG2 1 ATOM 804 N N . PHE A 1 104 ? 32.227 10.833 10.288 1.00 9.99 ? 104 PHE A N 1 ATOM 805 C CA . PHE A 1 104 ? 33.033 11.358 11.321 1.00 10.37 ? 104 PHE A CA 1 ATOM 806 C C . PHE A 1 104 ? 33.435 12.789 10.956 1.00 23.86 ? 104 PHE A C 1 ATOM 807 O O . PHE A 1 104 ? 33.381 13.741 11.689 1.00 13.18 ? 104 PHE A O 1 ATOM 808 C CB . PHE A 1 104 ? 34.276 10.482 11.409 1.00 5.28 ? 104 PHE A CB 1 ATOM 809 C CG . PHE A 1 104 ? 35.196 10.859 12.572 1.00 9.26 ? 104 PHE A CG 1 ATOM 810 C CD1 . PHE A 1 104 ? 36.162 11.852 12.443 1.00 8.40 ? 104 PHE A CD1 1 ATOM 811 C CD2 . PHE A 1 104 ? 35.128 10.211 13.806 1.00 12.56 ? 104 PHE A CD2 1 ATOM 812 C CE1 . PHE A 1 104 ? 37.074 12.178 13.455 1.00 13.57 ? 104 PHE A CE1 1 ATOM 813 C CE2 . PHE A 1 104 ? 36.014 10.531 14.840 1.00 13.54 ? 104 PHE A CE2 1 ATOM 814 C CZ . PHE A 1 104 ? 36.987 11.523 14.680 1.00 11.02 ? 104 PHE A CZ 1 ATOM 815 N N . GLN A 1 105 ? 33.801 12.941 9.737 1.00 19.98 ? 105 GLN A N 1 ATOM 816 C CA . GLN A 1 105 ? 34.224 14.207 9.260 1.00 16.56 ? 105 GLN A CA 1 ATOM 817 C C . GLN A 1 105 ? 33.145 15.232 9.064 1.00 20.53 ? 105 GLN A C 1 ATOM 818 O O . GLN A 1 105 ? 33.344 16.400 9.335 1.00 21.27 ? 105 GLN A O 1 ATOM 819 C CB . GLN A 1 105 ? 34.952 14.045 7.887 1.00 15.66 ? 105 GLN A CB 1 ATOM 820 C CG . GLN A 1 105 ? 35.776 15.271 7.420 1.00 22.95 ? 105 GLN A CG 1 ATOM 821 C CD . GLN A 1 105 ? 36.325 15.214 5.973 1.00 19.40 ? 105 GLN A CD 1 ATOM 822 O OE1 . GLN A 1 105 ? 36.363 14.190 5.305 1.00 16.77 ? 105 GLN A OE1 1 ATOM 823 N NE2 . GLN A 1 105 ? 36.881 16.299 5.528 1.00 14.27 ? 105 GLN A NE2 1 ATOM 824 N N . MET A 1 106 ? 32.014 14.847 8.520 1.00 19.28 ? 106 MET A N 1 ATOM 825 C CA . MET A 1 106 ? 31.060 15.880 8.214 1.00 20.11 ? 106 MET A CA 1 ATOM 826 C C . MET A 1 106 ? 29.754 15.768 8.883 1.00 17.46 ? 106 MET A C 1 ATOM 827 O O . MET A 1 106 ? 28.901 16.573 8.622 1.00 21.92 ? 106 MET A O 1 ATOM 828 C CB . MET A 1 106 ? 30.932 16.140 6.669 1.00 24.76 ? 106 MET A CB 1 ATOM 829 C CG . MET A 1 106 ? 30.609 15.034 5.655 1.00 31.05 ? 106 MET A CG 1 ATOM 830 S SD . MET A 1 106 ? 31.077 15.541 3.929 1.00 38.35 ? 106 MET A SD 1 ATOM 831 C CE . MET A 1 106 ? 32.278 14.283 3.499 1.00 35.89 ? 106 MET A CE 1 ATOM 832 N N . GLY A 1 107 ? 29.611 14.778 9.686 1.00 13.45 ? 107 GLY A N 1 ATOM 833 C CA . GLY A 1 107 ? 28.370 14.623 10.380 1.00 14.00 ? 107 GLY A CA 1 ATOM 834 C C . GLY A 1 107 ? 27.382 13.903 9.500 1.00 20.74 ? 107 GLY A C 1 ATOM 835 O O . GLY A 1 107 ? 27.511 13.892 8.302 1.00 22.41 ? 107 GLY A O 1 ATOM 836 N N . GLU A 1 108 ? 26.416 13.328 10.179 1.00 17.12 ? 108 GLU A N 1 ATOM 837 C CA . GLU A 1 108 ? 25.318 12.509 9.694 1.00 20.26 ? 108 GLU A CA 1 ATOM 838 C C . GLU A 1 108 ? 24.489 13.213 8.661 1.00 26.16 ? 108 GLU A C 1 ATOM 839 O O . GLU A 1 108 ? 24.093 12.690 7.628 1.00 25.83 ? 108 GLU A O 1 ATOM 840 C CB . GLU A 1 108 ? 24.509 12.052 10.930 1.00 22.73 ? 108 GLU A CB 1 ATOM 841 C CG . GLU A 1 108 ? 23.193 11.347 10.606 1.00 49.62 ? 108 GLU A CG 1 ATOM 842 C CD . GLU A 1 108 ? 22.484 11.029 11.894 1.00 85.28 ? 108 GLU A CD 1 ATOM 843 O OE1 . GLU A 1 108 ? 23.328 11.092 12.881 1.00 62.56 ? 108 GLU A OE1 1 ATOM 844 O OE2 . GLU A 1 108 ? 21.287 10.790 12.020 1.00 66.96 ? 108 GLU A OE2 1 ATOM 845 N N . THR A 1 109 ? 24.219 14.445 9.000 1.00 29.79 ? 109 THR A N 1 ATOM 846 C CA . THR A 1 109 ? 23.444 15.377 8.205 1.00 28.36 ? 109 THR A CA 1 ATOM 847 C C . THR A 1 109 ? 24.138 15.664 6.874 1.00 28.00 ? 109 THR A C 1 ATOM 848 O O . THR A 1 109 ? 23.518 15.585 5.811 1.00 26.07 ? 109 THR A O 1 ATOM 849 C CB . THR A 1 109 ? 23.078 16.661 9.050 1.00 25.05 ? 109 THR A CB 1 ATOM 850 O OG1 . THR A 1 109 ? 22.274 16.281 10.148 1.00 38.45 ? 109 THR A OG1 1 ATOM 851 C CG2 . THR A 1 109 ? 22.277 17.649 8.217 1.00 40.20 ? 109 THR A CG2 1 ATOM 852 N N . GLY A 1 110 ? 25.431 16.002 6.932 1.00 21.62 ? 110 GLY A N 1 ATOM 853 C CA . GLY A 1 110 ? 26.151 16.287 5.708 1.00 20.79 ? 110 GLY A CA 1 ATOM 854 C C . GLY A 1 110 ? 26.139 15.141 4.741 1.00 22.69 ? 110 GLY A C 1 ATOM 855 O O . GLY A 1 110 ? 25.869 15.308 3.582 1.00 22.26 ? 110 GLY A O 1 ATOM 856 N N . VAL A 1 111 ? 26.446 13.959 5.264 1.00 23.53 ? 111 VAL A N 1 ATOM 857 C CA . VAL A 1 111 ? 26.519 12.740 4.488 1.00 18.93 ? 111 VAL A CA 1 ATOM 858 C C . VAL A 1 111 ? 25.183 12.311 3.968 1.00 19.49 ? 111 VAL A C 1 ATOM 859 O O . VAL A 1 111 ? 25.101 11.945 2.836 1.00 16.28 ? 111 VAL A O 1 ATOM 860 C CB . VAL A 1 111 ? 27.187 11.648 5.295 1.00 23.01 ? 111 VAL A CB 1 ATOM 861 C CG1 . VAL A 1 111 ? 27.175 10.360 4.488 1.00 20.42 ? 111 VAL A CG1 1 ATOM 862 C CG2 . VAL A 1 111 ? 28.610 12.120 5.602 1.00 17.20 ? 111 VAL A CG2 1 ATOM 863 N N . ALA A 1 112 ? 24.123 12.394 4.753 1.00 12.94 ? 112 ALA A N 1 ATOM 864 C CA . ALA A 1 112 ? 22.833 11.985 4.277 1.00 17.14 ? 112 ALA A CA 1 ATOM 865 C C . ALA A 1 112 ? 22.402 12.882 3.121 1.00 28.59 ? 112 ALA A C 1 ATOM 866 O O . ALA A 1 112 ? 21.497 12.578 2.342 1.00 28.00 ? 112 ALA A O 1 ATOM 867 C CB . ALA A 1 112 ? 21.809 11.993 5.402 1.00 20.35 ? 112 ALA A CB 1 ATOM 868 N N . GLY A 1 113 ? 23.070 14.018 2.938 1.00 26.63 ? 113 GLY A N 1 ATOM 869 C CA . GLY A 1 113 ? 22.669 14.828 1.803 1.00 24.22 ? 113 GLY A CA 1 ATOM 870 C C . GLY A 1 113 ? 23.243 14.432 0.424 1.00 31.01 ? 113 GLY A C 1 ATOM 871 O O . GLY A 1 113 ? 22.863 14.991 -0.609 1.00 39.22 ? 113 GLY A O 1 ATOM 872 N N . PHE A 1 114 ? 24.179 13.476 0.417 1.00 21.44 ? 114 PHE A N 1 ATOM 873 C CA . PHE A 1 114 ? 24.828 12.940 -0.763 1.00 17.48 ? 114 PHE A CA 1 ATOM 874 C C . PHE A 1 114 ? 23.876 11.904 -1.344 1.00 18.05 ? 114 PHE A C 1 ATOM 875 O O . PHE A 1 114 ? 24.228 10.782 -1.649 1.00 18.54 ? 114 PHE A O 1 ATOM 876 C CB . PHE A 1 114 ? 26.219 12.329 -0.448 1.00 20.96 ? 114 PHE A CB 1 ATOM 877 C CG . PHE A 1 114 ? 27.382 13.316 -0.260 1.00 26.97 ? 114 PHE A CG 1 ATOM 878 C CD1 . PHE A 1 114 ? 27.325 14.338 0.689 1.00 33.88 ? 114 PHE A CD1 1 ATOM 879 C CD2 . PHE A 1 114 ? 28.540 13.273 -1.048 1.00 29.40 ? 114 PHE A CD2 1 ATOM 880 C CE1 . PHE A 1 114 ? 28.377 15.238 0.877 1.00 29.39 ? 114 PHE A CE1 1 ATOM 881 C CE2 . PHE A 1 114 ? 29.598 14.177 -0.906 1.00 28.26 ? 114 PHE A CE2 1 ATOM 882 C CZ . PHE A 1 114 ? 29.512 15.169 0.069 1.00 28.89 ? 114 PHE A CZ 1 ATOM 883 N N . THR A 1 115 ? 22.651 12.332 -1.548 1.00 15.96 ? 115 THR A N 1 ATOM 884 C CA . THR A 1 115 ? 21.591 11.484 -2.030 1.00 14.25 ? 115 THR A CA 1 ATOM 885 C C . THR A 1 115 ? 21.892 10.561 -3.169 1.00 26.15 ? 115 THR A C 1 ATOM 886 O O . THR A 1 115 ? 21.577 9.332 -3.170 1.00 17.59 ? 115 THR A O 1 ATOM 887 C CB . THR A 1 115 ? 20.376 12.318 -2.508 1.00 34.33 ? 115 THR A CB 1 ATOM 888 O OG1 . THR A 1 115 ? 19.801 13.088 -1.471 1.00 30.04 ? 115 THR A OG1 1 ATOM 889 C CG2 . THR A 1 115 ? 19.364 11.284 -2.955 1.00 34.01 ? 115 THR A CG2 1 ATOM 890 N N . ASN A 1 116 ? 22.455 11.176 -4.204 1.00 25.77 ? 116 ASN A N 1 ATOM 891 C CA . ASN A 1 116 ? 22.760 10.403 -5.417 1.00 18.70 ? 116 ASN A CA 1 ATOM 892 C C . ASN A 1 116 ? 23.863 9.395 -5.189 1.00 19.50 ? 116 ASN A C 1 ATOM 893 O O . ASN A 1 116 ? 23.795 8.250 -5.642 1.00 17.26 ? 116 ASN A O 1 ATOM 894 C CB . ASN A 1 116 ? 22.930 11.321 -6.673 1.00 20.79 ? 116 ASN A CB 1 ATOM 895 C CG . ASN A 1 116 ? 21.740 12.294 -6.841 1.00 41.12 ? 116 ASN A CG 1 ATOM 896 O OD1 . ASN A 1 116 ? 20.606 11.863 -6.676 1.00 24.93 ? 116 ASN A OD1 1 ATOM 897 N ND2 . ASN A 1 116 ? 21.931 13.598 -7.141 1.00 19.47 ? 116 ASN A ND2 1 ATOM 898 N N . SER A 1 117 ? 24.932 9.833 -4.534 1.00 21.31 ? 117 SER A N 1 ATOM 899 C CA . SER A 1 117 ? 26.039 8.903 -4.296 1.00 18.43 ? 117 SER A CA 1 ATOM 900 C C . SER A 1 117 ? 25.622 7.732 -3.408 1.00 14.45 ? 117 SER A C 1 ATOM 901 O O . SER A 1 117 ? 26.118 6.652 -3.563 1.00 16.63 ? 117 SER A O 1 ATOM 902 C CB . SER A 1 117 ? 27.152 9.552 -3.512 1.00 16.37 ? 117 SER A CB 1 ATOM 903 O OG . SER A 1 117 ? 27.535 10.718 -4.177 1.00 22.18 ? 117 SER A OG 1 ATOM 904 N N . LEU A 1 118 ? 24.752 7.976 -2.433 1.00 13.11 ? 118 LEU A N 1 ATOM 905 C CA . LEU A 1 118 ? 24.276 6.939 -1.507 1.00 17.00 ? 118 LEU A CA 1 ATOM 906 C C . LEU A 1 118 ? 23.555 5.878 -2.289 1.00 21.10 ? 118 LEU A C 1 ATOM 907 O O . LEU A 1 118 ? 23.770 4.710 -2.127 1.00 17.61 ? 118 LEU A O 1 ATOM 908 C CB . LEU A 1 118 ? 23.294 7.462 -0.385 1.00 16.88 ? 118 LEU A CB 1 ATOM 909 C CG . LEU A 1 118 ? 24.011 8.443 0.575 1.00 16.34 ? 118 LEU A CG 1 ATOM 910 C CD1 . LEU A 1 118 ? 23.079 9.109 1.571 1.00 10.31 ? 118 LEU A CD1 1 ATOM 911 C CD2 . LEU A 1 118 ? 25.127 7.746 1.367 1.00 16.86 ? 118 LEU A CD2 1 ATOM 912 N N . ARG A 1 119 ? 22.714 6.324 -3.192 1.00 17.49 ? 119 ARG A N 1 ATOM 913 C CA . ARG A 1 119 ? 21.945 5.396 -4.005 1.00 17.13 ? 119 ARG A CA 1 ATOM 914 C C . ARG A 1 119 ? 22.843 4.526 -4.891 1.00 17.68 ? 119 ARG A C 1 ATOM 915 O O . ARG A 1 119 ? 22.675 3.298 -5.051 1.00 24.41 ? 119 ARG A O 1 ATOM 916 C CB . ARG A 1 119 ? 20.832 6.205 -4.639 1.00 22.94 ? 119 ARG A CB 1 ATOM 917 C CG . ARG A 1 119 ? 20.284 5.532 -5.868 1.00 46.94 ? 119 ARG A CG 1 ATOM 918 C CD . ARG A 1 119 ? 19.377 6.454 -6.665 1.00 90.63 ? 119 ARG A CD 1 ATOM 919 N NE . ARG A 1 119 ? 20.080 7.019 -7.817 1.00 100.00 ? 119 ARG A NE 1 ATOM 920 C CZ . ARG A 1 119 ? 20.235 8.325 -8.029 1.00 100.00 ? 119 ARG A CZ 1 ATOM 921 N NH1 . ARG A 1 119 ? 19.727 9.236 -7.175 1.00 87.60 ? 119 ARG A NH1 1 ATOM 922 N NH2 . ARG A 1 119 ? 20.912 8.705 -9.133 1.00 100.00 ? 119 ARG A NH2 1 ATOM 923 N N . MET A 1 120 ? 23.885 5.152 -5.439 1.00 14.99 ? 120 MET A N 1 ATOM 924 C CA . MET A 1 120 ? 24.809 4.399 -6.273 1.00 13.18 ? 120 MET A CA 1 ATOM 925 C C . MET A 1 120 ? 25.577 3.416 -5.433 1.00 19.34 ? 120 MET A C 1 ATOM 926 O O . MET A 1 120 ? 25.901 2.345 -5.891 1.00 26.66 ? 120 MET A O 1 ATOM 927 C CB . MET A 1 120 ? 25.846 5.362 -6.902 1.00 12.91 ? 120 MET A CB 1 ATOM 928 C CG . MET A 1 120 ? 25.265 6.037 -8.129 1.00 23.36 ? 120 MET A CG 1 ATOM 929 S SD . MET A 1 120 ? 26.283 7.475 -8.525 1.00 31.89 ? 120 MET A SD 1 ATOM 930 C CE . MET A 1 120 ? 25.139 8.666 -9.225 1.00 25.97 ? 120 MET A CE 1 ATOM 931 N N . LEU A 1 121 ? 25.913 3.815 -4.211 1.00 12.53 ? 121 LEU A N 1 ATOM 932 C CA . LEU A 1 121 ? 26.642 2.866 -3.376 1.00 14.10 ? 121 LEU A CA 1 ATOM 933 C C . LEU A 1 121 ? 25.701 1.706 -3.063 1.00 13.31 ? 121 LEU A C 1 ATOM 934 O O . LEU A 1 121 ? 26.033 0.562 -3.067 1.00 14.94 ? 121 LEU A O 1 ATOM 935 C CB . LEU A 1 121 ? 27.128 3.486 -2.031 1.00 11.80 ? 121 LEU A CB 1 ATOM 936 C CG . LEU A 1 121 ? 28.225 4.543 -2.209 1.00 12.32 ? 121 LEU A CG 1 ATOM 937 C CD1 . LEU A 1 121 ? 28.436 5.315 -0.913 1.00 18.15 ? 121 LEU A CD1 1 ATOM 938 C CD2 . LEU A 1 121 ? 29.557 3.951 -2.604 1.00 12.20 ? 121 LEU A CD2 1 ATOM 939 N N . GLN A 1 122 ? 24.494 2.011 -2.736 1.00 13.01 ? 122 GLN A N 1 ATOM 940 C CA . GLN A 1 122 ? 23.560 1.000 -2.394 1.00 13.36 ? 122 GLN A CA 1 ATOM 941 C C . GLN A 1 122 ? 23.378 0.076 -3.583 1.00 29.45 ? 122 GLN A C 1 ATOM 942 O O . GLN A 1 122 ? 23.229 -1.144 -3.488 1.00 27.19 ? 122 GLN A O 1 ATOM 943 C CB . GLN A 1 122 ? 22.265 1.726 -1.969 1.00 8.39 ? 122 GLN A CB 1 ATOM 944 C CG . GLN A 1 122 ? 21.349 0.786 -1.214 1.00 27.09 ? 122 GLN A CG 1 ATOM 945 C CD . GLN A 1 122 ? 20.232 1.519 -0.515 1.00 47.40 ? 122 GLN A CD 1 ATOM 946 O OE1 . GLN A 1 122 ? 20.147 2.758 -0.591 1.00 51.22 ? 122 GLN A OE1 1 ATOM 947 N NE2 . GLN A 1 122 ? 19.355 0.746 0.131 1.00 86.90 ? 122 GLN A NE2 1 ATOM 948 N N . GLN A 1 123 ? 23.480 0.664 -4.755 1.00 22.85 ? 123 GLN A N 1 ATOM 949 C CA . GLN A 1 123 ? 23.330 -0.170 -5.882 1.00 19.51 ? 123 GLN A CA 1 ATOM 950 C C . GLN A 1 123 ? 24.578 -0.830 -6.323 1.00 29.06 ? 123 GLN A C 1 ATOM 951 O O . GLN A 1 123 ? 24.531 -1.483 -7.343 1.00 34.20 ? 123 GLN A O 1 ATOM 952 C CB . GLN A 1 123 ? 22.837 0.567 -7.103 1.00 17.88 ? 123 GLN A CB 1 ATOM 953 C CG . GLN A 1 123 ? 21.438 1.132 -6.887 1.00 33.07 ? 123 GLN A CG 1 ATOM 954 C CD . GLN A 1 123 ? 20.954 1.745 -8.164 1.00 49.28 ? 123 GLN A CD 1 ATOM 955 O OE1 . GLN A 1 123 ? 20.404 1.033 -9.010 1.00 62.91 ? 123 GLN A OE1 1 ATOM 956 N NE2 . GLN A 1 123 ? 21.284 3.017 -8.353 1.00 58.37 ? 123 GLN A NE2 1 ATOM 957 N N . LYS A 1 124 ? 25.678 -0.651 -5.585 1.00 16.67 ? 124 LYS A N 1 ATOM 958 C CA . LYS A 1 124 ? 26.973 -1.230 -5.907 1.00 11.26 ? 124 LYS A CA 1 ATOM 959 C C . LYS A 1 124 ? 27.584 -0.757 -7.256 1.00 20.12 ? 124 LYS A C 1 ATOM 960 O O . LYS A 1 124 ? 28.316 -1.484 -7.950 1.00 15.89 ? 124 LYS A O 1 ATOM 961 C CB . LYS A 1 124 ? 27.085 -2.761 -5.785 1.00 11.79 ? 124 LYS A CB 1 ATOM 962 C CG . LYS A 1 124 ? 26.464 -3.331 -4.512 1.00 15.45 ? 124 LYS A CG 1 ATOM 963 C CD . LYS A 1 124 ? 27.081 -4.640 -4.075 1.00 14.39 ? 124 LYS A CD 1 ATOM 964 C CE . LYS A 1 124 ? 26.444 -5.135 -2.761 1.00 23.94 ? 124 LYS A CE 1 ATOM 965 N NZ . LYS A 1 124 ? 26.693 -4.322 -1.563 1.00 19.51 ? 124 LYS A NZ 1 ATOM 966 N N . ARG A 1 125 ? 27.314 0.489 -7.600 1.00 16.68 ? 125 ARG A N 1 ATOM 967 C CA . ARG A 1 125 ? 27.862 1.092 -8.793 1.00 20.32 ? 125 ARG A CA 1 ATOM 968 C C . ARG A 1 125 ? 29.066 1.905 -8.367 1.00 20.07 ? 125 ARG A C 1 ATOM 969 O O . ARG A 1 125 ? 29.051 3.134 -8.334 1.00 22.08 ? 125 ARG A O 1 ATOM 970 C CB . ARG A 1 125 ? 26.761 1.920 -9.408 1.00 17.72 ? 125 ARG A CB 1 ATOM 971 C CG . ARG A 1 125 ? 25.655 1.025 -9.951 1.00 21.59 ? 125 ARG A CG 1 ATOM 972 C CD . ARG A 1 125 ? 24.301 1.697 -9.913 1.00 39.31 ? 125 ARG A CD 1 ATOM 973 N NE . ARG A 1 125 ? 23.997 2.306 -11.195 1.00 53.79 ? 125 ARG A NE 1 ATOM 974 C CZ . ARG A 1 125 ? 23.121 1.811 -12.065 1.00 100.00 ? 125 ARG A CZ 1 ATOM 975 N NH1 . ARG A 1 125 ? 22.415 0.686 -11.837 1.00 100.00 ? 125 ARG A NH1 1 ATOM 976 N NH2 . ARG A 1 125 ? 22.953 2.475 -13.204 1.00 100.00 ? 125 ARG A NH2 1 ATOM 977 N N . TRP A 1 126 ? 30.117 1.162 -8.039 1.00 16.49 ? 126 TRP A N 1 ATOM 978 C CA . TRP A 1 126 ? 31.338 1.694 -7.498 1.00 15.69 ? 126 TRP A CA 1 ATOM 979 C C . TRP A 1 126 ? 31.937 2.853 -8.277 1.00 20.71 ? 126 TRP A C 1 ATOM 980 O O . TRP A 1 126 ? 32.248 3.901 -7.732 1.00 12.97 ? 126 TRP A O 1 ATOM 981 C CB . TRP A 1 126 ? 32.344 0.535 -7.189 1.00 13.76 ? 126 TRP A CB 1 ATOM 982 C CG . TRP A 1 126 ? 31.764 -0.637 -6.376 1.00 17.11 ? 126 TRP A CG 1 ATOM 983 C CD1 . TRP A 1 126 ? 31.867 -1.932 -6.714 1.00 17.97 ? 126 TRP A CD1 1 ATOM 984 C CD2 . TRP A 1 126 ? 30.948 -0.647 -5.161 1.00 16.41 ? 126 TRP A CD2 1 ATOM 985 N NE1 . TRP A 1 126 ? 31.218 -2.735 -5.854 1.00 16.39 ? 126 TRP A NE1 1 ATOM 986 C CE2 . TRP A 1 126 ? 30.641 -2.003 -4.875 1.00 14.50 ? 126 TRP A CE2 1 ATOM 987 C CE3 . TRP A 1 126 ? 30.481 0.335 -4.269 1.00 19.50 ? 126 TRP A CE3 1 ATOM 988 C CZ2 . TRP A 1 126 ? 29.924 -2.418 -3.743 1.00 18.68 ? 126 TRP A CZ2 1 ATOM 989 C CZ3 . TRP A 1 126 ? 29.725 -0.084 -3.157 1.00 20.75 ? 126 TRP A CZ3 1 ATOM 990 C CH2 . TRP A 1 126 ? 29.442 -1.442 -2.893 1.00 22.32 ? 126 TRP A CH2 1 ATOM 991 N N . ASP A 1 127 ? 32.169 2.644 -9.553 1.00 19.00 ? 127 ASP A N 1 ATOM 992 C CA . ASP A 1 127 ? 32.812 3.668 -10.380 1.00 20.70 ? 127 ASP A CA 1 ATOM 993 C C . ASP A 1 127 ? 31.987 4.894 -10.536 1.00 21.82 ? 127 ASP A C 1 ATOM 994 O O . ASP A 1 127 ? 32.509 5.997 -10.472 1.00 20.13 ? 127 ASP A O 1 ATOM 995 C CB . ASP A 1 127 ? 33.373 3.092 -11.699 1.00 21.55 ? 127 ASP A CB 1 ATOM 996 C CG . ASP A 1 127 ? 34.506 2.091 -11.454 1.00 26.15 ? 127 ASP A CG 1 ATOM 997 O OD1 . ASP A 1 127 ? 34.660 1.434 -10.434 1.00 55.00 ? 127 ASP A OD1 1 ATOM 998 O OD2 . ASP A 1 127 ? 35.311 1.946 -12.470 1.00 60.24 ? 127 ASP A OD2 1 ATOM 999 N N . GLU A 1 128 ? 30.678 4.703 -10.661 1.00 20.24 ? 128 GLU A N 1 ATOM 1000 C CA . GLU A 1 128 ? 29.845 5.853 -10.785 1.00 16.24 ? 128 GLU A CA 1 ATOM 1001 C C . GLU A 1 128 ? 29.739 6.626 -9.517 1.00 23.12 ? 128 GLU A C 1 ATOM 1002 O O . GLU A 1 128 ? 29.725 7.826 -9.540 1.00 16.31 ? 128 GLU A O 1 ATOM 1003 C CB . GLU A 1 128 ? 28.442 5.445 -11.165 1.00 20.32 ? 128 GLU A CB 1 ATOM 1004 C CG . GLU A 1 128 ? 28.427 4.872 -12.603 1.00 31.58 ? 128 GLU A CG 1 ATOM 1005 C CD . GLU A 1 128 ? 27.726 3.535 -12.735 1.00 48.99 ? 128 GLU A CD 1 ATOM 1006 O OE1 . GLU A 1 128 ? 26.421 3.638 -12.764 1.00 63.57 ? 128 GLU A OE1 1 ATOM 1007 O OE2 . GLU A 1 128 ? 28.295 2.470 -12.854 1.00 64.12 ? 128 GLU A OE2 1 ATOM 1008 N N . ALA A 1 129 ? 29.642 5.950 -8.383 1.00 18.53 ? 129 ALA A N 1 ATOM 1009 C CA . ALA A 1 129 ? 29.553 6.714 -7.129 1.00 15.49 ? 129 ALA A CA 1 ATOM 1010 C C . ALA A 1 129 ? 30.838 7.519 -6.869 1.00 14.70 ? 129 ALA A C 1 ATOM 1011 O O . ALA A 1 129 ? 30.789 8.646 -6.399 1.00 16.61 ? 129 ALA A O 1 ATOM 1012 C CB . ALA A 1 129 ? 29.326 5.720 -5.985 1.00 16.22 ? 129 ALA A CB 1 ATOM 1013 N N . ALA A 1 130 ? 32.003 6.924 -7.204 1.00 11.95 ? 130 ALA A N 1 ATOM 1014 C CA . ALA A 1 130 ? 33.293 7.526 -7.038 1.00 12.66 ? 130 ALA A CA 1 ATOM 1015 C C . ALA A 1 130 ? 33.376 8.808 -7.823 1.00 23.72 ? 130 ALA A C 1 ATOM 1016 O O . ALA A 1 130 ? 33.843 9.812 -7.339 1.00 15.40 ? 130 ALA A O 1 ATOM 1017 C CB . ALA A 1 130 ? 34.387 6.588 -7.464 1.00 15.19 ? 130 ALA A CB 1 ATOM 1018 N N . VAL A 1 131 ? 32.835 8.796 -9.036 1.00 14.64 ? 131 VAL A N 1 ATOM 1019 C CA . VAL A 1 131 ? 32.777 10.017 -9.824 1.00 15.44 ? 131 VAL A CA 1 ATOM 1020 C C . VAL A 1 131 ? 31.798 11.037 -9.215 1.00 22.36 ? 131 VAL A C 1 ATOM 1021 O O . VAL A 1 131 ? 32.032 12.269 -9.143 1.00 19.31 ? 131 VAL A O 1 ATOM 1022 C CB . VAL A 1 131 ? 32.343 9.670 -11.267 1.00 19.53 ? 131 VAL A CB 1 ATOM 1023 C CG1 . VAL A 1 131 ? 31.836 10.926 -11.960 1.00 25.68 ? 131 VAL A CG1 1 ATOM 1024 C CG2 . VAL A 1 131 ? 33.539 9.000 -11.929 1.00 20.19 ? 131 VAL A CG2 1 ATOM 1025 N N . ASN A 1 132 ? 30.643 10.550 -8.772 1.00 20.12 ? 132 ASN A N 1 ATOM 1026 C CA . ASN A 1 132 ? 29.665 11.445 -8.158 1.00 19.94 ? 132 ASN A CA 1 ATOM 1027 C C . ASN A 1 132 ? 30.210 12.055 -6.868 1.00 19.96 ? 132 ASN A C 1 ATOM 1028 O O . ASN A 1 132 ? 30.037 13.226 -6.549 1.00 15.09 ? 132 ASN A O 1 ATOM 1029 C CB . ASN A 1 132 ? 28.356 10.732 -7.780 1.00 13.81 ? 132 ASN A CB 1 ATOM 1030 C CG . ASN A 1 132 ? 27.261 11.660 -7.357 1.00 22.71 ? 132 ASN A CG 1 ATOM 1031 O OD1 . ASN A 1 132 ? 27.003 11.899 -6.157 1.00 19.44 ? 132 ASN A OD1 1 ATOM 1032 N ND2 . ASN A 1 132 ? 26.629 12.271 -8.335 1.00 18.70 ? 132 ASN A ND2 1 ATOM 1033 N N . LEU A 1 133 ? 30.864 11.254 -6.074 1.00 12.85 ? 133 LEU A N 1 ATOM 1034 C CA . LEU A 1 133 ? 31.361 11.820 -4.812 1.00 9.85 ? 133 LEU A CA 1 ATOM 1035 C C . LEU A 1 133 ? 32.359 12.976 -5.001 1.00 16.48 ? 133 LEU A C 1 ATOM 1036 O O . LEU A 1 133 ? 32.517 13.842 -4.128 1.00 19.44 ? 133 LEU A O 1 ATOM 1037 C CB . LEU A 1 133 ? 32.038 10.674 -3.964 1.00 7.30 ? 133 LEU A CB 1 ATOM 1038 C CG . LEU A 1 133 ? 31.096 9.627 -3.286 1.00 12.04 ? 133 LEU A CG 1 ATOM 1039 C CD1 . LEU A 1 133 ? 31.843 8.342 -2.847 1.00 11.91 ? 133 LEU A CD1 1 ATOM 1040 C CD2 . LEU A 1 133 ? 30.424 10.272 -2.070 1.00 10.56 ? 133 LEU A CD2 1 ATOM 1041 N N . ALA A 1 134 ? 33.101 12.935 -6.132 1.00 17.44 ? 134 ALA A N 1 ATOM 1042 C CA . ALA A 1 134 ? 34.181 13.877 -6.452 1.00 13.44 ? 134 ALA A CA 1 ATOM 1043 C C . ALA A 1 134 ? 33.646 15.239 -6.783 1.00 14.24 ? 134 ALA A C 1 ATOM 1044 O O . ALA A 1 134 ? 34.341 16.238 -6.657 1.00 17.20 ? 134 ALA A O 1 ATOM 1045 C CB . ALA A 1 134 ? 35.168 13.297 -7.502 1.00 15.01 ? 134 ALA A CB 1 ATOM 1046 N N . LYS A 1 135 ? 32.375 15.269 -7.128 1.00 10.89 ? 135 LYS A N 1 ATOM 1047 C CA . LYS A 1 135 ? 31.696 16.537 -7.451 1.00 14.52 ? 135 LYS A CA 1 ATOM 1048 C C . LYS A 1 135 ? 31.099 17.177 -6.206 1.00 18.04 ? 135 LYS A C 1 ATOM 1049 O O . LYS A 1 135 ? 29.877 17.274 -6.033 1.00 16.51 ? 135 LYS A O 1 ATOM 1050 C CB . LYS A 1 135 ? 30.590 16.300 -8.446 1.00 18.48 ? 135 LYS A CB 1 ATOM 1051 C CG . LYS A 1 135 ? 31.092 15.589 -9.678 1.00 20.48 ? 135 LYS A CG 1 ATOM 1052 C CD . LYS A 1 135 ? 30.073 15.835 -10.787 1.00 46.90 ? 135 LYS A CD 1 ATOM 1053 C CE . LYS A 1 135 ? 29.973 14.768 -11.872 1.00 78.12 ? 135 LYS A CE 1 ATOM 1054 N NZ . LYS A 1 135 ? 28.572 14.590 -12.326 1.00 85.69 ? 135 LYS A NZ 1 ATOM 1055 N N . SER A 1 136 ? 31.988 17.567 -5.286 1.00 17.07 ? 136 SER A N 1 ATOM 1056 C CA . SER A 1 136 ? 31.516 18.093 -4.026 1.00 14.10 ? 136 SER A CA 1 ATOM 1057 C C . SER A 1 136 ? 32.511 19.052 -3.454 1.00 13.34 ? 136 SER A C 1 ATOM 1058 O O . SER A 1 136 ? 33.679 19.024 -3.771 1.00 12.88 ? 136 SER A O 1 ATOM 1059 C CB . SER A 1 136 ? 31.378 16.993 -2.983 1.00 6.10 ? 136 SER A CB 1 ATOM 1060 O OG . SER A 1 136 ? 32.625 16.319 -2.872 1.00 9.42 ? 136 SER A OG 1 ATOM 1061 N N . ARG A 1 137 ? 32.028 19.923 -2.630 1.00 12.16 ? 137 ARG A N 1 ATOM 1062 C CA . ARG A 1 137 ? 32.887 20.870 -1.953 1.00 11.47 ? 137 ARG A CA 1 ATOM 1063 C C . ARG A 1 137 ? 33.902 20.100 -1.163 1.00 11.48 ? 137 ARG A C 1 ATOM 1064 O O . ARG A 1 137 ? 35.074 20.415 -1.056 1.00 14.44 ? 137 ARG A O 1 ATOM 1065 C CB . ARG A 1 137 ? 32.095 21.649 -0.893 1.00 11.59 ? 137 ARG A CB 1 ATOM 1066 C CG . ARG A 1 137 ? 32.908 22.810 -0.318 1.00 20.69 ? 137 ARG A CG 1 ATOM 1067 C CD . ARG A 1 137 ? 32.449 23.544 0.950 1.00 28.12 ? 137 ARG A CD 1 ATOM 1068 N NE . ARG A 1 137 ? 33.452 24.477 1.553 1.00 100.00 ? 137 ARG A NE 1 ATOM 1069 C CZ . ARG A 1 137 ? 33.676 25.769 1.196 1.00 100.00 ? 137 ARG A CZ 1 ATOM 1070 N NH1 . ARG A 1 137 ? 33.052 26.422 0.192 1.00 100.00 ? 137 ARG A NH1 1 ATOM 1071 N NH2 . ARG A 1 137 ? 34.570 26.512 1.855 1.00 100.00 ? 137 ARG A NH2 1 ATOM 1072 N N . TRP A 1 138 ? 33.407 19.007 -0.629 1.00 15.74 ? 138 TRP A N 1 ATOM 1073 C CA . TRP A 1 138 ? 34.200 18.092 0.178 1.00 14.57 ? 138 TRP A CA 1 ATOM 1074 C C . TRP A 1 138 ? 35.457 17.703 -0.529 1.00 17.59 ? 138 TRP A C 1 ATOM 1075 O O . TRP A 1 138 ? 36.579 17.858 -0.045 1.00 17.37 ? 138 TRP A O 1 ATOM 1076 C CB . TRP A 1 138 ? 33.356 16.807 0.515 1.00 15.85 ? 138 TRP A CB 1 ATOM 1077 C CG . TRP A 1 138 ? 34.143 15.651 1.115 1.00 14.71 ? 138 TRP A CG 1 ATOM 1078 C CD1 . TRP A 1 138 ? 34.845 15.706 2.284 1.00 15.83 ? 138 TRP A CD1 1 ATOM 1079 C CD2 . TRP A 1 138 ? 34.231 14.313 0.602 1.00 10.65 ? 138 TRP A CD2 1 ATOM 1080 N NE1 . TRP A 1 138 ? 35.390 14.461 2.508 1.00 14.63 ? 138 TRP A NE1 1 ATOM 1081 C CE2 . TRP A 1 138 ? 34.997 13.574 1.523 1.00 10.66 ? 138 TRP A CE2 1 ATOM 1082 C CE3 . TRP A 1 138 ? 33.764 13.696 -0.550 1.00 10.48 ? 138 TRP A CE3 1 ATOM 1083 C CZ2 . TRP A 1 138 ? 35.274 12.216 1.383 1.00 11.65 ? 138 TRP A CZ2 1 ATOM 1084 C CZ3 . TRP A 1 138 ? 34.058 12.342 -0.694 1.00 19.22 ? 138 TRP A CZ3 1 ATOM 1085 C CH2 . TRP A 1 138 ? 34.787 11.595 0.258 1.00 19.73 ? 138 TRP A CH2 1 ATOM 1086 N N . TYR A 1 139 ? 35.268 17.236 -1.743 1.00 15.98 ? 139 TYR A N 1 ATOM 1087 C CA . TYR A 1 139 ? 36.422 16.847 -2.480 1.00 12.97 ? 139 TYR A CA 1 ATOM 1088 C C . TYR A 1 139 ? 37.310 18.011 -2.880 1.00 18.78 ? 139 TYR A C 1 ATOM 1089 O O . TYR A 1 139 ? 38.496 17.884 -2.961 1.00 18.09 ? 139 TYR A O 1 ATOM 1090 C CB . TYR A 1 139 ? 35.916 16.304 -3.788 1.00 15.37 ? 139 TYR A CB 1 ATOM 1091 C CG . TYR A 1 139 ? 37.004 15.893 -4.714 1.00 17.06 ? 139 TYR A CG 1 ATOM 1092 C CD1 . TYR A 1 139 ? 37.537 14.613 -4.595 1.00 21.20 ? 139 TYR A CD1 1 ATOM 1093 C CD2 . TYR A 1 139 ? 37.434 16.708 -5.753 1.00 20.32 ? 139 TYR A CD2 1 ATOM 1094 C CE1 . TYR A 1 139 ? 38.529 14.155 -5.447 1.00 21.41 ? 139 TYR A CE1 1 ATOM 1095 C CE2 . TYR A 1 139 ? 38.415 16.262 -6.637 1.00 27.93 ? 139 TYR A CE2 1 ATOM 1096 C CZ . TYR A 1 139 ? 38.937 14.977 -6.493 1.00 49.73 ? 139 TYR A CZ 1 ATOM 1097 O OH . TYR A 1 139 ? 39.870 14.515 -7.372 1.00 59.23 ? 139 TYR A OH 1 ATOM 1098 N N . ASN A 1 140 ? 36.733 19.139 -3.220 1.00 18.57 ? 140 ASN A N 1 ATOM 1099 C CA . ASN A 1 140 ? 37.535 20.314 -3.603 1.00 14.65 ? 140 ASN A CA 1 ATOM 1100 C C . ASN A 1 140 ? 38.292 20.916 -2.429 1.00 19.55 ? 140 ASN A C 1 ATOM 1101 O O . ASN A 1 140 ? 39.418 21.396 -2.572 1.00 16.53 ? 140 ASN A O 1 ATOM 1102 C CB . ASN A 1 140 ? 36.616 21.345 -4.236 1.00 21.92 ? 140 ASN A CB 1 ATOM 1103 C CG . ASN A 1 140 ? 36.358 20.923 -5.650 1.00 17.87 ? 140 ASN A CG 1 ATOM 1104 O OD1 . ASN A 1 140 ? 35.264 20.460 -6.011 1.00 22.32 ? 140 ASN A OD1 1 ATOM 1105 N ND2 . ASN A 1 140 ? 37.383 21.090 -6.454 1.00 30.10 ? 140 ASN A ND2 1 ATOM 1106 N N . GLN A 1 141 ? 37.718 20.855 -1.215 1.00 11.30 ? 141 GLN A N 1 ATOM 1107 C CA . GLN A 1 141 ? 38.453 21.407 -0.083 1.00 15.39 ? 141 GLN A CA 1 ATOM 1108 C C . GLN A 1 141 ? 39.519 20.516 0.494 1.00 23.39 ? 141 GLN A C 1 ATOM 1109 O O . GLN A 1 141 ? 40.555 21.013 0.889 1.00 29.61 ? 141 GLN A O 1 ATOM 1110 C CB . GLN A 1 141 ? 37.565 21.894 1.093 1.00 13.30 ? 141 GLN A CB 1 ATOM 1111 C CG . GLN A 1 141 ? 36.609 22.978 0.528 1.00 24.19 ? 141 GLN A CG 1 ATOM 1112 C CD . GLN A 1 141 ? 37.295 24.199 -0.098 1.00 37.68 ? 141 GLN A CD 1 ATOM 1113 O OE1 . GLN A 1 141 ? 36.988 24.668 -1.230 1.00 32.45 ? 141 GLN A OE1 1 ATOM 1114 N NE2 . GLN A 1 141 ? 38.178 24.774 0.693 1.00 28.09 ? 141 GLN A NE2 1 ATOM 1115 N N . THR A 1 142 ? 39.258 19.215 0.612 1.00 16.51 ? 142 THR A N 1 ATOM 1116 C CA . THR A 1 142 ? 40.253 18.276 1.126 1.00 14.05 ? 142 THR A CA 1 ATOM 1117 C C . THR A 1 142 ? 40.397 17.144 0.157 1.00 16.82 ? 142 THR A C 1 ATOM 1118 O O . THR A 1 142 ? 39.946 16.031 0.409 1.00 17.84 ? 142 THR A O 1 ATOM 1119 C CB . THR A 1 142 ? 39.828 17.654 2.470 1.00 25.82 ? 142 THR A CB 1 ATOM 1120 O OG1 . THR A 1 142 ? 38.544 17.080 2.374 1.00 21.22 ? 142 THR A OG1 1 ATOM 1121 C CG2 . THR A 1 142 ? 39.687 18.840 3.386 1.00 19.81 ? 142 THR A CG2 1 ATOM 1122 N N . PRO A 1 143 ? 41.063 17.413 -0.960 1.00 18.91 ? 143 PRO A N 1 ATOM 1123 C CA . PRO A 1 143 ? 41.218 16.421 -2.015 1.00 15.52 ? 143 PRO A CA 1 ATOM 1124 C C . PRO A 1 143 ? 42.004 15.176 -1.662 1.00 15.37 ? 143 PRO A C 1 ATOM 1125 O O . PRO A 1 143 ? 41.614 14.090 -2.083 1.00 12.66 ? 143 PRO A O 1 ATOM 1126 C CB . PRO A 1 143 ? 41.823 17.170 -3.220 1.00 16.00 ? 143 PRO A CB 1 ATOM 1127 C CG . PRO A 1 143 ? 42.459 18.427 -2.651 1.00 14.97 ? 143 PRO A CG 1 ATOM 1128 C CD . PRO A 1 143 ? 41.805 18.652 -1.273 1.00 13.83 ? 143 PRO A CD 1 ATOM 1129 N N . ASN A 1 144 ? 43.123 15.296 -0.921 1.00 8.05 ? 144 ASN A N 1 ATOM 1130 C CA . ASN A 1 144 ? 43.827 14.062 -0.704 1.00 8.80 ? 144 ASN A CA 1 ATOM 1131 C C . ASN A 1 144 ? 43.070 13.153 0.202 1.00 22.38 ? 144 ASN A C 1 ATOM 1132 O O . ASN A 1 144 ? 43.031 11.983 -0.021 1.00 20.12 ? 144 ASN A O 1 ATOM 1133 C CB . ASN A 1 144 ? 45.202 14.271 -0.093 1.00 10.35 ? 144 ASN A CB 1 ATOM 1134 C CG . ASN A 1 144 ? 46.111 15.080 -1.054 1.00 25.89 ? 144 ASN A CG 1 ATOM 1135 O OD1 . ASN A 1 144 ? 46.114 14.853 -2.262 1.00 36.56 ? 144 ASN A OD1 1 ATOM 1136 N ND2 . ASN A 1 144 ? 46.945 15.968 -0.542 1.00 26.24 ? 144 ASN A ND2 1 ATOM 1137 N N . ARG A 1 145 ? 42.483 13.695 1.240 1.00 16.14 ? 145 ARG A N 1 ATOM 1138 C CA . ARG A 1 145 ? 41.702 12.860 2.090 1.00 13.85 ? 145 ARG A CA 1 ATOM 1139 C C . ARG A 1 145 ? 40.475 12.285 1.344 1.00 18.17 ? 145 ARG A C 1 ATOM 1140 O O . ARG A 1 145 ? 40.235 11.074 1.387 1.00 19.57 ? 145 ARG A O 1 ATOM 1141 C CB . ARG A 1 145 ? 41.216 13.609 3.323 1.00 13.96 ? 145 ARG A CB 1 ATOM 1142 C CG . ARG A 1 145 ? 40.438 12.606 4.163 1.00 21.05 ? 145 ARG A CG 1 ATOM 1143 C CD . ARG A 1 145 ? 39.805 13.209 5.360 1.00 27.93 ? 145 ARG A CD 1 ATOM 1144 N NE . ARG A 1 145 ? 39.077 12.277 6.176 1.00 14.56 ? 145 ARG A NE 1 ATOM 1145 C CZ . ARG A 1 145 ? 38.888 12.657 7.416 1.00 24.04 ? 145 ARG A CZ 1 ATOM 1146 N NH1 . ARG A 1 145 ? 39.382 13.808 7.776 1.00 15.53 ? 145 ARG A NH1 1 ATOM 1147 N NH2 . ARG A 1 145 ? 38.209 11.942 8.289 1.00 14.07 ? 145 ARG A NH2 1 ATOM 1148 N N . ALA A 1 146 ? 39.691 13.150 0.642 1.00 15.02 ? 146 ALA A N 1 ATOM 1149 C CA . ALA A 1 146 ? 38.545 12.698 -0.098 1.00 12.18 ? 146 ALA A CA 1 ATOM 1150 C C . ALA A 1 146 ? 38.958 11.572 -1.047 1.00 13.51 ? 146 ALA A C 1 ATOM 1151 O O . ALA A 1 146 ? 38.265 10.593 -1.219 1.00 12.86 ? 146 ALA A O 1 ATOM 1152 C CB . ALA A 1 146 ? 37.917 13.842 -0.873 1.00 12.29 ? 146 ALA A CB 1 ATOM 1153 N N . LYS A 1 147 ? 40.110 11.707 -1.698 1.00 19.89 ? 147 LYS A N 1 ATOM 1154 C CA . LYS A 1 147 ? 40.554 10.678 -2.623 1.00 15.09 ? 147 LYS A CA 1 ATOM 1155 C C . LYS A 1 147 ? 40.832 9.314 -1.980 1.00 12.94 ? 147 LYS A C 1 ATOM 1156 O O . LYS A 1 147 ? 40.563 8.239 -2.579 1.00 14.81 ? 147 LYS A O 1 ATOM 1157 C CB . LYS A 1 147 ? 41.851 10.992 -3.343 1.00 16.76 ? 147 LYS A CB 1 ATOM 1158 C CG . LYS A 1 147 ? 41.615 11.960 -4.479 1.00 34.43 ? 147 LYS A CG 1 ATOM 1159 C CD . LYS A 1 147 ? 42.899 12.404 -5.187 1.00 41.07 ? 147 LYS A CD 1 ATOM 1160 C CE . LYS A 1 147 ? 42.840 13.863 -5.618 1.00 71.97 ? 147 LYS A CE 1 ATOM 1161 N NZ . LYS A 1 147 ? 42.637 14.034 -7.070 1.00 100.00 ? 147 LYS A NZ 1 ATOM 1162 N N . ARG A 1 148 ? 41.340 9.327 -0.755 1.00 13.54 ? 148 ARG A N 1 ATOM 1163 C CA . ARG A 1 148 ? 41.584 8.084 -0.060 1.00 10.34 ? 148 ARG A CA 1 ATOM 1164 C C . ARG A 1 148 ? 40.252 7.437 0.249 1.00 16.82 ? 148 ARG A C 1 ATOM 1165 O O . ARG A 1 148 ? 40.089 6.244 0.080 1.00 14.45 ? 148 ARG A O 1 ATOM 1166 C CB . ARG A 1 148 ? 42.402 8.263 1.211 1.00 9.50 ? 148 ARG A CB 1 ATOM 1167 C CG . ARG A 1 148 ? 43.864 8.583 0.974 1.00 12.80 ? 148 ARG A CG 1 ATOM 1168 C CD . ARG A 1 148 ? 44.759 8.440 2.213 1.00 10.12 ? 148 ARG A CD 1 ATOM 1169 N NE . ARG A 1 148 ? 44.388 9.434 3.209 1.00 18.26 ? 148 ARG A NE 1 ATOM 1170 C CZ . ARG A 1 148 ? 44.853 10.673 3.247 1.00 27.81 ? 148 ARG A CZ 1 ATOM 1171 N NH1 . ARG A 1 148 ? 45.729 11.073 2.333 1.00 14.01 ? 148 ARG A NH1 1 ATOM 1172 N NH2 . ARG A 1 148 ? 44.443 11.542 4.152 1.00 15.73 ? 148 ARG A NH2 1 ATOM 1173 N N . VAL A 1 149 ? 39.267 8.229 0.670 1.00 10.42 ? 149 VAL A N 1 ATOM 1174 C CA . VAL A 1 149 ? 37.986 7.615 0.991 1.00 4.14 ? 149 VAL A CA 1 ATOM 1175 C C . VAL A 1 149 ? 37.280 7.053 -0.223 1.00 9.22 ? 149 VAL A C 1 ATOM 1176 O O . VAL A 1 149 ? 36.707 5.957 -0.240 1.00 17.33 ? 149 VAL A O 1 ATOM 1177 C CB . VAL A 1 149 ? 37.169 8.662 1.719 1.00 12.02 ? 149 VAL A CB 1 ATOM 1178 C CG1 . VAL A 1 149 ? 35.699 8.204 1.839 1.00 8.43 ? 149 VAL A CG1 1 ATOM 1179 C CG2 . VAL A 1 149 ? 37.903 8.942 3.075 1.00 4.78 ? 149 VAL A CG2 1 ATOM 1180 N N . ILE A 1 150 ? 37.293 7.871 -1.271 1.00 12.37 ? 150 ILE A N 1 ATOM 1181 C CA . ILE A 1 150 ? 36.670 7.533 -2.567 1.00 10.83 ? 150 ILE A CA 1 ATOM 1182 C C . ILE A 1 150 ? 37.251 6.236 -3.140 1.00 15.39 ? 150 ILE A C 1 ATOM 1183 O O . ILE A 1 150 ? 36.514 5.368 -3.591 1.00 13.70 ? 150 ILE A O 1 ATOM 1184 C CB . ILE A 1 150 ? 36.751 8.719 -3.541 1.00 10.96 ? 150 ILE A CB 1 ATOM 1185 C CG1 . ILE A 1 150 ? 35.694 9.780 -3.177 1.00 15.50 ? 150 ILE A CG1 1 ATOM 1186 C CG2 . ILE A 1 150 ? 36.400 8.231 -4.921 1.00 15.34 ? 150 ILE A CG2 1 ATOM 1187 C CD1 . ILE A 1 150 ? 35.866 11.070 -3.956 1.00 9.89 ? 150 ILE A CD1 1 ATOM 1188 N N . THR A 1 151 ? 38.567 6.108 -3.106 1.00 13.16 ? 151 THR A N 1 ATOM 1189 C CA . THR A 1 151 ? 39.251 4.890 -3.560 1.00 16.94 ? 151 THR A CA 1 ATOM 1190 C C . THR A 1 151 ? 38.830 3.658 -2.785 1.00 12.31 ? 151 THR A C 1 ATOM 1191 O O . THR A 1 151 ? 38.728 2.576 -3.331 1.00 12.32 ? 151 THR A O 1 ATOM 1192 C CB . THR A 1 151 ? 40.771 5.025 -3.479 1.00 20.16 ? 151 THR A CB 1 ATOM 1193 O OG1 . THR A 1 151 ? 41.134 6.036 -4.378 1.00 26.78 ? 151 THR A OG1 1 ATOM 1194 C CG2 . THR A 1 151 ? 41.451 3.716 -3.890 1.00 31.34 ? 151 THR A CG2 1 ATOM 1195 N N . THR A 1 152 ? 38.601 3.875 -1.521 1.00 8.57 ? 152 THR A N 1 ATOM 1196 C CA . THR A 1 152 ? 38.178 2.831 -0.632 1.00 10.87 ? 152 THR A CA 1 ATOM 1197 C C . THR A 1 152 ? 36.848 2.314 -1.091 1.00 17.90 ? 152 THR A C 1 ATOM 1198 O O . THR A 1 152 ? 36.607 1.091 -1.209 1.00 15.36 ? 152 THR A O 1 ATOM 1199 C CB . THR A 1 152 ? 38.188 3.346 0.840 1.00 10.27 ? 152 THR A CB 1 ATOM 1200 O OG1 . THR A 1 152 ? 39.496 3.792 1.198 1.00 10.52 ? 152 THR A OG1 1 ATOM 1201 C CG2 . THR A 1 152 ? 37.911 2.202 1.773 1.00 7.96 ? 152 THR A CG2 1 ATOM 1202 N N . PHE A 1 153 ? 35.978 3.258 -1.353 1.00 13.39 ? 153 PHE A N 1 ATOM 1203 C CA . PHE A 1 153 ? 34.645 2.890 -1.830 1.00 12.88 ? 153 PHE A CA 1 ATOM 1204 C C . PHE A 1 153 ? 34.664 2.220 -3.175 1.00 18.43 ? 153 PHE A C 1 ATOM 1205 O O . PHE A 1 153 ? 33.899 1.321 -3.506 1.00 15.17 ? 153 PHE A O 1 ATOM 1206 C CB . PHE A 1 153 ? 33.800 4.147 -2.044 1.00 13.47 ? 153 PHE A CB 1 ATOM 1207 C CG . PHE A 1 153 ? 33.047 4.643 -0.806 1.00 15.16 ? 153 PHE A CG 1 ATOM 1208 C CD1 . PHE A 1 153 ? 32.239 3.789 -0.039 1.00 18.94 ? 153 PHE A CD1 1 ATOM 1209 C CD2 . PHE A 1 153 ? 33.115 5.983 -0.417 1.00 14.49 ? 153 PHE A CD2 1 ATOM 1210 C CE1 . PHE A 1 153 ? 31.560 4.229 1.106 1.00 16.28 ? 153 PHE A CE1 1 ATOM 1211 C CE2 . PHE A 1 153 ? 32.427 6.452 0.712 1.00 18.33 ? 153 PHE A CE2 1 ATOM 1212 C CZ . PHE A 1 153 ? 31.632 5.576 1.453 1.00 13.56 ? 153 PHE A CZ 1 ATOM 1213 N N . ARG A 1 154 ? 35.554 2.711 -3.987 1.00 17.26 ? 154 ARG A N 1 ATOM 1214 C CA . ARG A 1 154 ? 35.687 2.220 -5.339 1.00 18.22 ? 154 ARG A CA 1 ATOM 1215 C C . ARG A 1 154 ? 36.237 0.819 -5.413 1.00 25.11 ? 154 ARG A C 1 ATOM 1216 O O . ARG A 1 154 ? 35.734 0.008 -6.189 1.00 21.55 ? 154 ARG A O 1 ATOM 1217 C CB . ARG A 1 154 ? 36.564 3.130 -6.218 1.00 14.91 ? 154 ARG A CB 1 ATOM 1218 C CG . ARG A 1 154 ? 36.538 2.736 -7.701 1.00 21.52 ? 154 ARG A CG 1 ATOM 1219 C CD . ARG A 1 154 ? 37.336 3.672 -8.614 1.00 17.50 ? 154 ARG A CD 1 ATOM 1220 N NE . ARG A 1 154 ? 36.509 4.091 -9.763 1.00 100.00 ? 154 ARG A NE 1 ATOM 1221 C CZ . ARG A 1 154 ? 36.265 5.364 -10.173 1.00 100.00 ? 154 ARG A CZ 1 ATOM 1222 N NH1 . ARG A 1 154 ? 36.794 6.426 -9.553 1.00 100.00 ? 154 ARG A NH1 1 ATOM 1223 N NH2 . ARG A 1 154 ? 35.477 5.606 -11.245 1.00 83.58 ? 154 ARG A NH2 1 ATOM 1224 N N . THR A 1 155 ? 37.258 0.544 -4.595 1.00 19.81 ? 155 THR A N 1 ATOM 1225 C CA . THR A 1 155 ? 37.934 -0.725 -4.651 1.00 15.57 ? 155 THR A CA 1 ATOM 1226 C C . THR A 1 155 ? 37.528 -1.725 -3.629 1.00 30.64 ? 155 THR A C 1 ATOM 1227 O O . THR A 1 155 ? 37.711 -2.910 -3.813 1.00 27.82 ? 155 THR A O 1 ATOM 1228 C CB . THR A 1 155 ? 39.464 -0.635 -4.472 1.00 21.61 ? 155 THR A CB 1 ATOM 1229 O OG1 . THR A 1 155 ? 39.880 -0.134 -3.196 1.00 21.52 ? 155 THR A OG1 1 ATOM 1230 C CG2 . THR A 1 155 ? 39.869 0.332 -5.550 1.00 25.80 ? 155 THR A CG2 1 ATOM 1231 N N . GLY A 1 156 ? 37.058 -1.220 -2.531 1.00 24.08 ? 156 GLY A N 1 ATOM 1232 C CA . GLY A 1 156 ? 36.696 -2.049 -1.451 1.00 18.18 ? 156 GLY A CA 1 ATOM 1233 C C . GLY A 1 156 ? 37.919 -2.654 -0.778 1.00 24.26 ? 156 GLY A C 1 ATOM 1234 O O . GLY A 1 156 ? 37.816 -3.659 -0.055 1.00 25.72 ? 156 GLY A O 1 ATOM 1235 N N . THR A 1 157 ? 39.104 -2.076 -0.974 1.00 16.70 ? 157 THR A N 1 ATOM 1236 C CA . THR A 1 157 ? 40.311 -2.586 -0.269 1.00 10.96 ? 157 THR A CA 1 ATOM 1237 C C . THR A 1 157 ? 40.909 -1.385 0.496 1.00 19.80 ? 157 THR A C 1 ATOM 1238 O O . THR A 1 157 ? 40.457 -0.277 0.306 1.00 14.37 ? 157 THR A O 1 ATOM 1239 C CB . THR A 1 157 ? 41.406 -2.898 -1.282 1.00 24.17 ? 157 THR A CB 1 ATOM 1240 O OG1 . THR A 1 157 ? 41.805 -1.619 -1.779 1.00 22.82 ? 157 THR A OG1 1 ATOM 1241 C CG2 . THR A 1 157 ? 40.819 -3.694 -2.450 1.00 27.57 ? 157 THR A CG2 1 ATOM 1242 N N . TRP A 1 158 ? 41.937 -1.578 1.310 1.00 15.53 ? 158 TRP A N 1 ATOM 1243 C CA . TRP A 1 158 ? 42.598 -0.526 2.020 1.00 15.12 ? 158 TRP A CA 1 ATOM 1244 C C . TRP A 1 158 ? 43.835 -0.074 1.265 1.00 22.48 ? 158 TRP A C 1 ATOM 1245 O O . TRP A 1 158 ? 44.757 0.477 1.832 1.00 19.82 ? 158 TRP A O 1 ATOM 1246 C CB . TRP A 1 158 ? 43.171 -1.071 3.377 1.00 15.90 ? 158 TRP A CB 1 ATOM 1247 C CG . TRP A 1 158 ? 42.100 -1.513 4.357 1.00 19.10 ? 158 TRP A CG 1 ATOM 1248 C CD1 . TRP A 1 158 ? 41.763 -2.797 4.647 1.00 18.67 ? 158 TRP A CD1 1 ATOM 1249 C CD2 . TRP A 1 158 ? 41.203 -0.652 5.144 1.00 21.04 ? 158 TRP A CD2 1 ATOM 1250 N NE1 . TRP A 1 158 ? 40.702 -2.794 5.526 1.00 18.36 ? 158 TRP A NE1 1 ATOM 1251 C CE2 . TRP A 1 158 ? 40.349 -1.506 5.873 1.00 21.57 ? 158 TRP A CE2 1 ATOM 1252 C CE3 . TRP A 1 158 ? 41.048 0.748 5.291 1.00 22.21 ? 158 TRP A CE3 1 ATOM 1253 C CZ2 . TRP A 1 158 ? 39.373 -1.014 6.748 1.00 21.11 ? 158 TRP A CZ2 1 ATOM 1254 C CZ3 . TRP A 1 158 ? 40.116 1.207 6.176 1.00 22.09 ? 158 TRP A CZ3 1 ATOM 1255 C CH2 . TRP A 1 158 ? 39.266 0.339 6.882 1.00 21.23 ? 158 TRP A CH2 1 ATOM 1256 N N . ASP A 1 159 ? 43.917 -0.298 -0.034 1.00 18.59 ? 159 ASP A N 1 ATOM 1257 C CA . ASP A 1 159 ? 45.114 0.113 -0.756 1.00 17.24 ? 159 ASP A CA 1 ATOM 1258 C C . ASP A 1 159 ? 45.517 1.587 -0.619 1.00 25.56 ? 159 ASP A C 1 ATOM 1259 O O . ASP A 1 159 ? 46.677 1.914 -0.589 1.00 22.90 ? 159 ASP A O 1 ATOM 1260 C CB . ASP A 1 159 ? 45.034 -0.287 -2.224 1.00 21.93 ? 159 ASP A CB 1 ATOM 1261 C CG . ASP A 1 159 ? 44.955 -1.794 -2.414 1.00 36.29 ? 159 ASP A CG 1 ATOM 1262 O OD1 . ASP A 1 159 ? 45.261 -2.483 -1.340 1.00 55.67 ? 159 ASP A OD1 1 ATOM 1263 O OD2 . ASP A 1 159 ? 44.559 -2.308 -3.444 1.00 50.73 ? 159 ASP A OD2 1 ATOM 1264 N N . ALA A 1 160 ? 44.550 2.497 -0.490 1.00 17.87 ? 160 ALA A N 1 ATOM 1265 C CA . ALA A 1 160 ? 44.821 3.929 -0.358 1.00 17.60 ? 160 ALA A CA 1 ATOM 1266 C C . ALA A 1 160 ? 45.514 4.318 0.934 1.00 23.15 ? 160 ALA A C 1 ATOM 1267 O O . ALA A 1 160 ? 46.046 5.403 1.089 1.00 16.85 ? 160 ALA A O 1 ATOM 1268 C CB . ALA A 1 160 ? 43.546 4.747 -0.537 1.00 21.45 ? 160 ALA A CB 1 ATOM 1269 N N . TYR A 1 161 ? 45.503 3.427 1.890 1.00 18.60 ? 161 TYR A N 1 ATOM 1270 C CA . TYR A 1 161 ? 46.081 3.656 3.191 1.00 16.85 ? 161 TYR A CA 1 ATOM 1271 C C . TYR A 1 161 ? 47.344 2.835 3.499 1.00 30.51 ? 161 TYR A C 1 ATOM 1272 O O . TYR A 1 161 ? 48.031 3.110 4.479 1.00 30.49 ? 161 TYR A O 1 ATOM 1273 C CB . TYR A 1 161 ? 44.973 3.342 4.218 1.00 15.19 ? 161 TYR A CB 1 ATOM 1274 C CG . TYR A 1 161 ? 43.863 4.386 4.206 1.00 13.65 ? 161 TYR A CG 1 ATOM 1275 C CD1 . TYR A 1 161 ? 43.976 5.501 5.032 1.00 10.84 ? 161 TYR A CD1 1 ATOM 1276 C CD2 . TYR A 1 161 ? 42.742 4.267 3.373 1.00 11.96 ? 161 TYR A CD2 1 ATOM 1277 C CE1 . TYR A 1 161 ? 42.986 6.484 5.041 1.00 8.56 ? 161 TYR A CE1 1 ATOM 1278 C CE2 . TYR A 1 161 ? 41.724 5.227 3.400 1.00 6.40 ? 161 TYR A CE2 1 ATOM 1279 C CZ . TYR A 1 161 ? 41.855 6.337 4.235 1.00 9.66 ? 161 TYR A CZ 1 ATOM 1280 O OH . TYR A 1 161 ? 40.870 7.328 4.295 1.00 10.82 ? 161 TYR A OH 1 ATOM 1281 N N . LYS A 1 162 ? 47.620 1.783 2.743 1.00 42.04 ? 162 LYS A N 1 ATOM 1282 C CA . LYS A 1 162 ? 48.800 0.966 3.020 1.00 51.70 ? 162 LYS A CA 1 ATOM 1283 C C . LYS A 1 162 ? 49.899 1.748 2.401 1.00 61.32 ? 162 LYS A C 1 ATOM 1284 O O . LYS A 1 162 ? 49.758 2.050 1.230 1.00 62.29 ? 162 LYS A O 1 ATOM 1285 C CB . LYS A 1 162 ? 48.663 -0.452 2.519 1.00 57.80 ? 162 LYS A CB 1 ATOM 1286 C CG . LYS A 1 162 ? 47.435 -1.163 3.095 1.00 84.34 ? 162 LYS A CG 1 ATOM 1287 C CD . LYS A 1 162 ? 47.197 -2.584 2.537 1.00 100.00 ? 162 LYS A CD 1 ATOM 1288 C CE . LYS A 1 162 ? 46.320 -2.684 1.270 1.00 100.00 ? 162 LYS A CE 1 ATOM 1289 N NZ . LYS A 1 162 ? 45.321 -3.792 1.261 1.00 56.64 ? 162 LYS A NZ 1 ATOM 1290 N N . ASN A 1 163 ? 50.862 2.115 3.244 1.00 66.55 ? 163 ASN A N 1 ATOM 1291 C CA . ASN A 1 163 ? 52.015 2.969 2.973 1.00 77.82 ? 163 ASN A CA 1 ATOM 1292 C C . ASN A 1 163 ? 52.121 4.158 3.976 1.00 98.45 ? 163 ASN A C 1 ATOM 1293 O O . ASN A 1 163 ? 53.211 4.555 4.458 1.00 100.00 ? 163 ASN A O 1 ATOM 1294 C CB . ASN A 1 163 ? 51.998 3.656 1.578 1.00 91.32 ? 163 ASN A CB 1 ATOM 1295 C CG . ASN A 1 163 ? 52.307 2.735 0.392 1.00 100.00 ? 163 ASN A CG 1 ATOM 1296 O OD1 . ASN A 1 163 ? 53.438 2.209 0.242 1.00 100.00 ? 163 ASN A OD1 1 ATOM 1297 N ND2 . ASN A 1 163 ? 51.274 2.502 -0.433 1.00 100.00 ? 163 ASN A ND2 1 ATOM 1298 N N . LEU A 1 164 ? 50.928 4.715 4.281 1.00 95.48 ? 164 LEU A N 1 ATOM 1299 C CA . LEU A 1 164 ? 50.652 5.888 5.137 1.00 73.66 ? 164 LEU A CA 1 ATOM 1300 C C . LEU A 1 164 ? 51.091 5.852 6.626 1.00 94.85 ? 164 LEU A C 1 ATOM 1301 O O . LEU A 1 164 ? 51.205 6.944 7.268 1.00 85.92 ? 164 LEU A O 1 ATOM 1302 C CB . LEU A 1 164 ? 49.179 6.307 4.910 1.00 68.00 ? 164 LEU A CB 1 ATOM 1303 C CG . LEU A 1 164 ? 48.926 6.801 3.484 1.00 54.80 ? 164 LEU A CG 1 ATOM 1304 C CD1 . LEU A 1 164 ? 47.611 7.551 3.399 1.00 43.38 ? 164 LEU A CD1 1 ATOM 1305 C CD2 . LEU A 1 164 ? 50.007 7.775 3.062 1.00 52.56 ? 164 LEU A CD2 1 ATOM 1306 O OXT . LEU A 1 164 ? 51.398 4.754 7.149 1.00 100.00 ? 164 LEU A OXT 1 HETATM 1307 CL CL . CL B 2 . ? 43.230 16.679 1.998 1.00 1.00 ? 173 CL A CL 1 HETATM 1308 CL CL . CL C 2 . ? 32.309 15.590 23.958 0.50 2.60 ? 178 CL A CL 1 HETATM 1309 C C1 . BME D 3 . ? 33.621 -1.589 12.098 1.00 27.52 ? 170 BME A C1 1 HETATM 1310 C C2 . BME D 3 . ? 33.769 -1.205 13.547 1.00 19.61 ? 170 BME A C2 1 HETATM 1311 O O1 . BME D 3 . ? 34.039 -0.469 11.353 1.00 58.83 ? 170 BME A O1 1 HETATM 1312 S S2 . BME D 3 . ? 32.242 -1.216 14.553 1.00 52.30 ? 170 BME A S2 1 HETATM 1313 O O . HOH E 4 . ? 38.329 12.410 18.299 1.00 15.34 ? 171 HOH A O 1 HETATM 1314 O O . HOH E 4 . ? 35.995 18.926 3.232 1.00 34.13 ? 172 HOH A O 1 HETATM 1315 O O . HOH E 4 . ? 42.176 23.433 1.300 1.00 24.04 ? 174 HOH A O 1 HETATM 1316 O O . HOH E 4 . ? 41.638 2.335 0.063 1.00 21.18 ? 175 HOH A O 1 HETATM 1317 O O . HOH E 4 . ? 33.273 -7.633 4.053 1.00 26.05 ? 177 HOH A O 1 HETATM 1318 O O . HOH E 4 . ? 40.484 13.017 19.935 1.00 15.08 ? 179 HOH A O 1 HETATM 1319 O O . HOH E 4 . ? 45.250 11.009 -1.867 1.00 25.17 ? 180 HOH A O 1 HETATM 1320 O O . HOH E 4 . ? 28.510 -6.967 4.854 1.00 22.53 ? 181 HOH A O 1 HETATM 1321 O O . HOH E 4 . ? 33.531 12.800 22.503 1.00 20.27 ? 182 HOH A O 1 HETATM 1322 O O . HOH E 4 . ? 34.026 11.127 29.358 1.00 45.13 ? 183 HOH A O 1 HETATM 1323 O O . HOH E 4 . ? 48.329 10.040 27.974 1.00 60.10 ? 184 HOH A O 1 HETATM 1324 O O . HOH E 4 . ? 31.135 5.682 23.524 1.00 36.08 ? 185 HOH A O 1 HETATM 1325 O O . HOH E 4 . ? 40.908 5.437 20.776 1.00 29.22 ? 186 HOH A O 1 HETATM 1326 O O . HOH E 4 . ? 44.938 -3.470 11.488 1.00 45.04 ? 187 HOH A O 1 HETATM 1327 O O . HOH E 4 . ? 39.396 22.836 -6.410 1.00 35.10 ? 188 HOH A O 1 HETATM 1328 O O . HOH E 4 . ? 50.689 18.113 19.702 1.00 49.53 ? 189 HOH A O 1 HETATM 1329 O O . HOH E 4 . ? 36.093 27.199 15.873 1.00 47.44 ? 190 HOH A O 1 HETATM 1330 O O . HOH E 4 . ? 37.357 29.828 14.246 1.00 41.22 ? 191 HOH A O 1 HETATM 1331 O O . HOH E 4 . ? 44.225 25.292 9.784 1.00 35.54 ? 192 HOH A O 1 HETATM 1332 O O . HOH E 4 . ? 20.076 -2.389 3.032 1.00 26.66 ? 193 HOH A O 1 HETATM 1333 O O . HOH E 4 . ? 37.189 -1.110 10.750 1.00 18.72 ? 195 HOH A O 1 HETATM 1334 O O . HOH E 4 . ? 47.599 15.859 32.535 1.00 58.81 ? 196 HOH A O 1 HETATM 1335 O O . HOH E 4 . ? 25.333 12.939 -4.352 1.00 33.39 ? 197 HOH A O 1 HETATM 1336 O O . HOH E 4 . ? 31.171 25.764 27.753 1.00 34.58 ? 198 HOH A O 1 HETATM 1337 O O . HOH E 4 . ? 33.330 18.316 22.823 1.00 28.25 ? 200 HOH A O 1 HETATM 1338 O O . HOH E 4 . ? 29.971 8.102 22.266 1.00 26.87 ? 201 HOH A O 1 HETATM 1339 O O . HOH E 4 . ? 37.236 19.629 13.123 1.00 45.80 ? 203 HOH A O 1 HETATM 1340 O O . HOH E 4 . ? 39.359 18.147 11.677 1.00 41.05 ? 204 HOH A O 1 HETATM 1341 O O . HOH E 4 . ? 26.227 17.323 9.193 1.00 48.34 ? 206 HOH A O 1 HETATM 1342 O O . HOH E 4 . ? 42.327 16.130 8.847 1.00 44.28 ? 207 HOH A O 1 HETATM 1343 O O . HOH E 4 . ? 35.827 11.715 4.906 1.00 12.83 ? 208 HOH A O 1 HETATM 1344 O O . HOH E 4 . ? 42.992 16.565 4.711 1.00 39.36 ? 209 HOH A O 1 HETATM 1345 O O . HOH E 4 . ? 35.577 -4.558 0.854 1.00 52.44 ? 210 HOH A O 1 HETATM 1346 O O . HOH E 4 . ? 46.871 9.962 -0.105 1.00 28.10 ? 211 HOH A O 1 HETATM 1347 O O . HOH E 4 . ? 26.151 -1.764 -1.475 1.00 21.99 ? 213 HOH A O 1 HETATM 1348 O O . HOH E 4 . ? 22.735 -4.028 -2.290 1.00 50.04 ? 214 HOH A O 1 HETATM 1349 O O . HOH E 4 . ? 33.537 14.171 26.431 1.00 21.47 ? 215 HOH A O 1 HETATM 1350 O O . HOH E 4 . ? 36.582 10.075 -8.420 1.00 32.97 ? 216 HOH A O 1 HETATM 1351 O O . HOH E 4 . ? 35.018 -1.009 -9.662 1.00 61.85 ? 217 HOH A O 1 HETATM 1352 O O . HOH E 4 . ? 28.500 9.297 -11.585 1.00 26.07 ? 218 HOH A O 1 HETATM 1353 O O . HOH E 4 . ? 27.666 11.862 -11.392 1.00 28.14 ? 219 HOH A O 1 HETATM 1354 O O . HOH E 4 . ? 35.250 18.137 -8.713 1.00 49.43 ? 220 HOH A O 1 HETATM 1355 O O . HOH E 4 . ? 44.554 5.614 17.616 1.00 42.09 ? 221 HOH A O 1 HETATM 1356 O O . HOH E 4 . ? 29.779 25.279 18.157 1.00 60.04 ? 222 HOH A O 1 HETATM 1357 O O . HOH E 4 . ? 42.481 -4.613 12.869 1.00 27.19 ? 223 HOH A O 1 HETATM 1358 O O . HOH E 4 . ? 48.995 6.714 11.736 1.00 40.33 ? 227 HOH A O 1 HETATM 1359 O O . HOH E 4 . ? 48.346 11.060 10.661 1.00 46.32 ? 228 HOH A O 1 HETATM 1360 O O . HOH E 4 . ? 42.008 17.109 11.920 1.00 38.77 ? 229 HOH A O 1 HETATM 1361 O O . HOH E 4 . ? 44.000 14.053 5.942 1.00 41.83 ? 230 HOH A O 1 HETATM 1362 O O . HOH E 4 . ? 42.823 -4.429 1.466 1.00 28.09 ? 231 HOH A O 1 HETATM 1363 O O . HOH E 4 . ? 46.902 6.655 -0.964 1.00 50.20 ? 232 HOH A O 1 HETATM 1364 O O . HOH E 4 . ? 44.963 8.236 -2.705 1.00 35.40 ? 233 HOH A O 1 HETATM 1365 O O . HOH E 4 . ? 40.525 19.123 -6.911 1.00 52.62 ? 234 HOH A O 1 HETATM 1366 O O . HOH E 4 . ? 31.682 -0.030 -10.842 1.00 41.48 ? 235 HOH A O 1 HETATM 1367 O O . HOH E 4 . ? 40.833 16.178 6.591 1.00 39.86 ? 237 HOH A O 1 HETATM 1368 O O . HOH E 4 . ? 35.467 -2.707 -8.212 1.00 47.60 ? 238 HOH A O 1 HETATM 1369 O O . HOH E 4 . ? 36.100 12.619 28.883 1.00 35.66 ? 239 HOH A O 1 HETATM 1370 O O . HOH E 4 . ? 43.886 5.005 25.158 1.00 26.69 ? 240 HOH A O 1 HETATM 1371 O O . HOH E 4 . ? 24.823 9.205 17.567 1.00 45.12 ? 242 HOH A O 1 HETATM 1372 O O . HOH E 4 . ? 46.983 4.454 11.536 1.00 43.81 ? 244 HOH A O 1 HETATM 1373 O O . HOH E 4 . ? 47.064 13.884 3.314 1.00 53.21 ? 245 HOH A O 1 HETATM 1374 O O . HOH E 4 . ? 30.753 16.086 20.444 1.00 52.08 ? 246 HOH A O 1 HETATM 1375 O O . HOH E 4 . ? 39.487 -5.742 6.235 1.00 43.82 ? 248 HOH A O 1 HETATM 1376 O O . HOH E 4 . ? 36.653 11.922 -10.634 1.00 61.94 ? 250 HOH A O 1 HETATM 1377 O O . HOH E 4 . ? 33.869 13.607 -10.802 1.00 34.78 ? 251 HOH A O 1 HETATM 1378 O O . HOH E 4 . ? 19.054 5.778 1.422 1.00 34.81 ? 253 HOH A O 1 HETATM 1379 O O . HOH E 4 . ? 25.178 16.173 11.924 1.00 38.60 ? 254 HOH A O 1 HETATM 1380 O O . HOH E 4 . ? 37.170 16.244 11.038 1.00 63.65 ? 256 HOH A O 1 HETATM 1381 O O . HOH E 4 . ? 41.108 13.107 32.240 1.00 34.17 ? 259 HOH A O 1 HETATM 1382 O O . HOH E 4 . ? 45.453 10.733 30.710 1.00 50.27 ? 260 HOH A O 1 HETATM 1383 O O . HOH E 4 . ? 34.409 15.319 15.905 1.00 43.09 ? 266 HOH A O 1 HETATM 1384 O O . HOH E 4 . ? 34.102 16.653 12.911 1.00 48.98 ? 267 HOH A O 1 HETATM 1385 O O . HOH E 4 . ? 16.008 9.470 10.029 1.00 43.71 ? 268 HOH A O 1 HETATM 1386 O O . HOH E 4 . ? 44.770 22.017 10.036 1.00 49.59 ? 269 HOH A O 1 HETATM 1387 O O . HOH E 4 . ? 30.313 18.617 -0.064 1.00 15.59 ? 270 HOH A O 1 HETATM 1388 O O . HOH E 4 . ? 38.977 -6.358 0.952 1.00 39.19 ? 273 HOH A O 1 HETATM 1389 O O . HOH E 4 . ? 31.761 11.794 15.550 1.00 31.15 ? 274 HOH A O 1 HETATM 1390 O O . HOH E 4 . ? 28.460 19.205 6.583 1.00 50.15 ? 275 HOH A O 1 HETATM 1391 O O . HOH E 4 . ? 19.649 11.477 0.661 1.00 75.59 ? 276 HOH A O 1 HETATM 1392 O O . HOH E 4 . ? 35.249 -6.176 -0.685 1.00 51.27 ? 277 HOH A O 1 HETATM 1393 O O . HOH E 4 . ? 41.315 26.168 30.621 1.00 43.18 ? 278 HOH A O 1 HETATM 1394 O O . HOH E 4 . ? 23.296 17.166 -1.565 1.00 56.75 ? 279 HOH A O 1 HETATM 1395 O O . HOH E 4 . ? 32.694 18.095 18.960 1.00 65.91 ? 280 HOH A O 1 HETATM 1396 O O . HOH E 4 . ? 32.094 20.732 22.043 1.00 30.81 ? 281 HOH A O 1 HETATM 1397 O O . HOH E 4 . ? 32.879 19.851 24.729 1.00 42.90 ? 282 HOH A O 1 HETATM 1398 O O . HOH E 4 . ? 44.958 3.995 15.881 1.00 35.76 ? 283 HOH A O 1 HETATM 1399 O O . HOH E 4 . ? 43.581 15.887 14.973 1.00 32.41 ? 285 HOH A O 1 HETATM 1400 O O . HOH E 4 . ? 50.136 16.732 26.656 1.00 45.33 ? 286 HOH A O 1 HETATM 1401 O O . HOH E 4 . ? 44.412 -1.282 15.602 1.00 37.47 ? 288 HOH A O 1 HETATM 1402 O O . HOH E 4 . ? 21.140 -6.187 4.533 1.00 49.10 ? 290 HOH A O 1 HETATM 1403 O O . HOH E 4 . ? 19.605 7.910 -1.836 1.00 53.87 ? 292 HOH A O 1 HETATM 1404 O O . HOH E 4 . ? 28.428 -0.457 -11.586 1.00 72.03 ? 293 HOH A O 1 HETATM 1405 O O . HOH E 4 . ? 47.006 3.554 14.725 1.00 41.00 ? 295 HOH A O 1 HETATM 1406 O O . HOH E 4 . ? 47.346 -2.512 9.047 1.00 64.92 ? 297 HOH A O 1 HETATM 1407 O O . HOH E 4 . ? 33.259 13.520 14.546 1.00 28.66 ? 299 HOH A O 1 HETATM 1408 O O . HOH E 4 . ? 37.871 19.997 -8.619 1.00 37.83 ? 300 HOH A O 1 HETATM 1409 O O . HOH E 4 . ? 18.548 -1.910 6.302 1.00 48.63 ? 302 HOH A O 1 HETATM 1410 O O . HOH E 4 . ? 29.912 2.208 -11.306 1.00 45.56 ? 311 HOH A O 1 HETATM 1411 O O . HOH E 4 . ? 33.406 19.304 3.643 1.00 45.62 ? 314 HOH A O 1 HETATM 1412 O O . HOH E 4 . ? 15.368 2.378 5.883 1.00 70.45 ? 318 HOH A O 1 HETATM 1413 O O . HOH E 4 . ? 48.838 21.252 18.604 1.00 70.68 ? 319 HOH A O 1 HETATM 1414 O O . HOH E 4 . ? 35.243 6.403 30.051 1.00 56.35 ? 320 HOH A O 1 HETATM 1415 O O . HOH E 4 . ? 45.677 3.566 27.194 1.00 46.61 ? 346 HOH A O 1 HETATM 1416 O O . HOH E 4 . ? 34.566 -4.516 -5.797 1.00 34.79 ? 347 HOH A O 1 HETATM 1417 O O . HOH E 4 . ? 26.660 4.233 21.184 1.00 40.51 ? 348 HOH A O 1 HETATM 1418 O O . HOH E 4 . ? 39.000 12.192 30.653 1.00 43.47 ? 354 HOH A O 1 HETATM 1419 O O . HOH E 4 . ? 39.844 24.100 2.800 1.00 70.24 ? 357 HOH A O 1 HETATM 1420 O O . HOH E 4 . ? 34.471 -2.155 9.271 1.00 40.16 ? 358 HOH A O 1 HETATM 1421 O O . HOH E 4 . ? 40.760 -10.065 2.360 1.00 53.66 ? 360 HOH A O 1 HETATM 1422 O O . HOH E 4 . ? 46.666 20.254 30.519 1.00 39.40 ? 388 HOH A O 1 HETATM 1423 O O . HOH E 4 . ? 26.372 13.340 13.392 1.00 55.00 ? 391 HOH A O 1 HETATM 1424 O O . HOH E 4 . ? 47.709 25.785 15.641 1.00 58.33 ? 393 HOH A O 1 HETATM 1425 O O . HOH E 4 . ? 33.456 -5.778 -3.973 1.00 47.91 ? 398 HOH A O 1 HETATM 1426 O O . HOH E 4 . ? 44.931 -5.258 -2.120 1.00 62.88 ? 400 HOH A O 1 HETATM 1427 O O . HOH E 4 . ? 19.254 13.485 7.720 1.00 57.73 ? 419 HOH A O 1 HETATM 1428 O O . HOH E 4 . ? 27.154 6.747 21.217 1.00 33.44 ? 421 HOH A O 1 HETATM 1429 O O . HOH E 4 . ? 45.027 14.021 32.813 1.00 65.99 ? 423 HOH A O 1 HETATM 1430 O O . HOH E 4 . ? 39.313 11.169 -7.627 1.00 50.95 ? 425 HOH A O 1 HETATM 1431 O O . HOH E 4 . ? 42.433 -6.453 5.928 1.00 44.00 ? 426 HOH A O 1 HETATM 1432 O O . HOH E 4 . ? 30.006 19.235 2.868 1.00 78.56 ? 427 HOH A O 1 HETATM 1433 O O . HOH E 4 . ? 37.959 19.148 7.420 1.00 60.22 ? 430 HOH A O 1 HETATM 1434 O O . HOH E 4 . ? 28.699 1.819 18.484 1.00 46.72 ? 445 HOH A O 1 HETATM 1435 O O . HOH E 4 . ? 30.062 13.583 13.046 1.00 49.17 ? 454 HOH A O 1 HETATM 1436 O O . HOH E 4 . ? 19.848 5.189 23.468 1.00 50.63 ? 478 HOH A O 1 HETATM 1437 O O . HOH E 4 . ? 40.123 3.463 -7.890 1.00 52.30 ? 492 HOH A O 1 # If you find results from this site helpful for your research, please cite one of our papers:
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