data_3MQL # _entry.id 3MQL # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3MQL RCSB RCSB058876 WWPDB D_1000058876 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1E8B 'SOLUTION STRUCTURE OF 6F11F22F2, A COMPACT THREE-MODULE FRAGMENT OF THE GELATIN-BINDING DOMAIN OF HUMAN FIBRONECTIN' unspecified PDB 1E88 'SOLUTION STRUCTURE OF 6F11F22F2, A COMPACT THREE-MODULE FRAGMENT OF THE GELATIN-BINDING DOMAIN OF HUMAN FIBRONECTIN' unspecified BMRB 4830 'The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding' unspecified BMRB 16841 'Chemical Shift Assignments of Fibronectin 6F11F22F2' unspecified PDB 3EJH 'Crystal Structure of the Fibronectin 8-9FnI Domain Pair in Complex with a Type-I Collagen Peptide' unspecified PDB 3GXE 'Complex of a Low Affinity Collagen Site with the Fibronectin 8-9FnI Domain Pair' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3MQL _pdbx_database_status.recvd_initial_deposition_date 2010-04-28 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Erat, M.C.' 1 'Campbell, I.D.' 2 'Vakonakis, I.' 3 # _citation.id primary _citation.title 'Implications for collagen binding from the crystallographic structure of fibronectin 6FnI1-2FnII7FnI' _citation.journal_abbrev J.Biol.Chem. _citation.journal_volume 285 _citation.page_first 33764 _citation.page_last 33770 _citation.year 2010 _citation.journal_id_ASTM JBCHA3 _citation.country US _citation.journal_id_ISSN 0021-9258 _citation.journal_id_CSD 0071 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 20739283 _citation.pdbx_database_id_DOI 10.1074/jbc.M110.139394 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Erat, M.C.' 1 primary 'Schwarz-Linek, U.' 2 primary 'Pickford, A.R.' 3 primary 'Farndale, R.W.' 4 primary 'Campbell, I.D.' 5 primary 'Vakonakis, I.' 6 # _cell.entry_id 3MQL _cell.length_a 103.947 _cell.length_b 103.947 _cell.length_c 102.143 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _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 3MQL _symmetry.space_group_name_H-M 'I 41 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 98 _symmetry.space_group_name_Hall ? # 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 'Fibronectin 1' 24874.469 1 ? H307D '6FnI1-2FnII7FnI, UNP residues 305-515' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 1 ? ? ? ? 3 non-polymer syn '(4S)-2-METHYL-2,4-PENTANEDIOL' 118.174 1 ? ? ? ? 4 non-polymer syn '(4R)-2-METHYLPENTANE-2,4-DIOL' 118.174 2 ? ? ? ? 5 water nat water 18.015 2 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'Fibronectin 1, isoform CRA_g' # _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 ;YGDCVTDSGVVYSVGMQWLKTQGNKQMLCTCLGNGVSCQETAVTQTYGGNSNGEPCVLPFTYNGRTFYSCTTEGRQDGHL WCSTTSNYEQDQKYSFCTDHTVLVQTRGGNSNGALCHFPFLYNNHNYTDCTSEGRRDNMKWCGTTQNYDADQKFGFCPMA AHEEICTTNEGVMYRIGDQWDKQHDMGHMMRCTCVGNGRGEWTCIAYSQLRGTKHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;YGDCVTDSGVVYSVGMQWLKTQGNKQMLCTCLGNGVSCQETAVTQTYGGNSNGEPCVLPFTYNGRTFYSCTTEGRQDGHL WCSTTSNYEQDQKYSFCTDHTVLVQTRGGNSNGALCHFPFLYNNHNYTDCTSEGRRDNMKWCGTTQNYDADQKFGFCPMA AHEEICTTNEGVMYRIGDQWDKQHDMGHMMRCTCVGNGRGEWTCIAYSQLRGTKHHHHHH ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 TYR n 1 2 GLY n 1 3 ASP n 1 4 CYS n 1 5 VAL n 1 6 THR n 1 7 ASP n 1 8 SER n 1 9 GLY n 1 10 VAL n 1 11 VAL n 1 12 TYR n 1 13 SER n 1 14 VAL n 1 15 GLY n 1 16 MET n 1 17 GLN n 1 18 TRP n 1 19 LEU n 1 20 LYS n 1 21 THR n 1 22 GLN n 1 23 GLY n 1 24 ASN n 1 25 LYS n 1 26 GLN n 1 27 MET n 1 28 LEU n 1 29 CYS n 1 30 THR n 1 31 CYS n 1 32 LEU n 1 33 GLY n 1 34 ASN n 1 35 GLY n 1 36 VAL n 1 37 SER n 1 38 CYS n 1 39 GLN n 1 40 GLU n 1 41 THR n 1 42 ALA n 1 43 VAL n 1 44 THR n 1 45 GLN n 1 46 THR n 1 47 TYR n 1 48 GLY n 1 49 GLY n 1 50 ASN n 1 51 SER n 1 52 ASN n 1 53 GLY n 1 54 GLU n 1 55 PRO n 1 56 CYS n 1 57 VAL n 1 58 LEU n 1 59 PRO n 1 60 PHE n 1 61 THR n 1 62 TYR n 1 63 ASN n 1 64 GLY n 1 65 ARG n 1 66 THR n 1 67 PHE n 1 68 TYR n 1 69 SER n 1 70 CYS n 1 71 THR n 1 72 THR n 1 73 GLU n 1 74 GLY n 1 75 ARG n 1 76 GLN n 1 77 ASP n 1 78 GLY n 1 79 HIS n 1 80 LEU n 1 81 TRP n 1 82 CYS n 1 83 SER n 1 84 THR n 1 85 THR n 1 86 SER n 1 87 ASN n 1 88 TYR n 1 89 GLU n 1 90 GLN n 1 91 ASP n 1 92 GLN n 1 93 LYS n 1 94 TYR n 1 95 SER n 1 96 PHE n 1 97 CYS n 1 98 THR n 1 99 ASP n 1 100 HIS n 1 101 THR n 1 102 VAL n 1 103 LEU n 1 104 VAL n 1 105 GLN n 1 106 THR n 1 107 ARG n 1 108 GLY n 1 109 GLY n 1 110 ASN n 1 111 SER n 1 112 ASN n 1 113 GLY n 1 114 ALA n 1 115 LEU n 1 116 CYS n 1 117 HIS n 1 118 PHE n 1 119 PRO n 1 120 PHE n 1 121 LEU n 1 122 TYR n 1 123 ASN n 1 124 ASN n 1 125 HIS n 1 126 ASN n 1 127 TYR n 1 128 THR n 1 129 ASP n 1 130 CYS n 1 131 THR n 1 132 SER n 1 133 GLU n 1 134 GLY n 1 135 ARG n 1 136 ARG n 1 137 ASP n 1 138 ASN n 1 139 MET n 1 140 LYS n 1 141 TRP n 1 142 CYS n 1 143 GLY n 1 144 THR n 1 145 THR n 1 146 GLN n 1 147 ASN n 1 148 TYR n 1 149 ASP n 1 150 ALA n 1 151 ASP n 1 152 GLN n 1 153 LYS n 1 154 PHE n 1 155 GLY n 1 156 PHE n 1 157 CYS n 1 158 PRO n 1 159 MET n 1 160 ALA n 1 161 ALA n 1 162 HIS n 1 163 GLU n 1 164 GLU n 1 165 ILE n 1 166 CYS n 1 167 THR n 1 168 THR n 1 169 ASN n 1 170 GLU n 1 171 GLY n 1 172 VAL n 1 173 MET n 1 174 TYR n 1 175 ARG n 1 176 ILE n 1 177 GLY n 1 178 ASP n 1 179 GLN n 1 180 TRP n 1 181 ASP n 1 182 LYS n 1 183 GLN n 1 184 HIS n 1 185 ASP n 1 186 MET n 1 187 GLY n 1 188 HIS n 1 189 MET n 1 190 MET n 1 191 ARG n 1 192 CYS n 1 193 THR n 1 194 CYS n 1 195 VAL n 1 196 GLY n 1 197 ASN n 1 198 GLY n 1 199 ARG n 1 200 GLY n 1 201 GLU n 1 202 TRP n 1 203 THR n 1 204 CYS n 1 205 ILE n 1 206 ALA n 1 207 TYR n 1 208 SER n 1 209 GLN n 1 210 LEU n 1 211 ARG n 1 212 GLY n 1 213 THR n 1 214 LYS n 1 215 HIS n 1 216 HIS n 1 217 HIS n 1 218 HIS n 1 219 HIS n 1 220 HIS 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 human _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'FN1, hCG_1813428' _entity_src_gen.gene_src_species ? _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 'gene integrated in the AOX1 locus' _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _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 'Pichia pastoris' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 4922 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_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 X33 _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 plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description 'genomic integration' # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code B7ZLF0_HUMAN _struct_ref.pdbx_db_accession B7ZLF0 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;YGHCVTDSGVVYSVGMQWLKTQGNKQMLCTCLGNGVSCQETAVTQTYGGNSNGEPCVLPFTYNGRTFYSCTTEGRQDGHL WCSTTSNYEQDQKYSFCTDHTVLVQTRGGNSNGALCHFPFLYNNHNYTDCTSEGRRDNMKWCGTTQNYDADQKFGFCPMA AHEEICTTNEGVMYRIGDQWDKQHDMGHMMRCTCVGNGRGEWTCIAYSQLR ; _struct_ref.pdbx_align_begin 305 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 3MQL _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 211 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession B7ZLF0 _struct_ref_seq.db_align_beg 305 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 515 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 305 _struct_ref_seq.pdbx_auth_seq_align_end 515 # 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 3MQL ASP A 3 ? UNP B7ZLF0 HIS 307 'ENGINEERED MUTATION' 307 1 1 3MQL GLY A 212 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 516 2 1 3MQL THR A 213 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 517 3 1 3MQL LYS A 214 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 518 4 1 3MQL HIS A 215 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 519 5 1 3MQL HIS A 216 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 520 6 1 3MQL HIS A 217 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 521 7 1 3MQL HIS A 218 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 522 8 1 3MQL HIS A 219 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 523 9 1 3MQL HIS A 220 ? UNP B7ZLF0 ? ? 'EXPRESSION TAG' 524 10 # 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 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 MPD non-polymer . '(4S)-2-METHYL-2,4-PENTANEDIOL' ? 'C6 H14 O2' 118.174 MRD non-polymer . '(4R)-2-METHYLPENTANE-2,4-DIOL' ? 'C6 H14 O2' 118.174 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 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 # _exptl.entry_id 3MQL _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.77 _exptl_crystal.density_percent_sol 55.62 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;1:1 drops of of protein in 100 mM NaCl, 10mM HEPES pH 7.2 buffer at 17.5 mg/ml concentration, and a 0.2 M (NH4)H2PO4, 0.1 M Tris-Cl pH 8.5, 50% MPD buffer, VAPOR DIFFUSION, SITTING DROP, temperature 293K ; # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'MARMOSAIC 225 mm CCD' _diffrn_detector.pdbx_collection_date 2010-02-05 _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 'Bartels monochromator with dual channel cut crystals' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SLS BEAMLINE X06DA' _diffrn_source.pdbx_synchrotron_site SLS _diffrn_source.pdbx_synchrotron_beamline X06DA _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1 # _reflns.entry_id 3MQL _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 51.974 _reflns.d_resolution_high 3.004 _reflns.number_obs 5835 _reflns.number_all ? _reflns.percent_possible_obs 99.7 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.055 _reflns.pdbx_netI_over_sigmaI 27 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 7.1 _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_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 3 _reflns_shell.d_res_low 3.17 _reflns_shell.percent_possible_all 98.6 _reflns_shell.Rmerge_I_obs 0.473 _reflns_shell.pdbx_Rsym_value 0.473 _reflns_shell.meanI_over_sigI_obs 1.7 _reflns_shell.pdbx_redundancy 7.1 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3MQL _refine.ls_number_reflns_obs 5835 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.40 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 51.973 _refine.ls_d_res_high 3.004 _refine.ls_percent_reflns_obs 99.52 _refine.ls_R_factor_obs 0.2026 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.2012 _refine.ls_R_factor_R_free 0.2305 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.97 _refine.ls_number_reflns_R_free 528 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean ? _refine.aniso_B[1][1] 4.5830 _refine.aniso_B[2][2] 4.5830 _refine.aniso_B[3][3] -9.1660 _refine.aniso_B[1][2] 0.0000 _refine.aniso_B[1][3] -0.0000 _refine.aniso_B[2][3] -0.0000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.300 _refine.solvent_model_param_bsol 52.177 _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details '1. Used one TLS restraint for entire polypeptide chain; 2. SF file contains Friedel pairs.' _refine.pdbx_starting_model 'INDIVIDUAL DOMAINS FROM PDB ENTRIES 2CG7, 2RKY, 3EJH, 1EAK, 1H8P, 1L6J' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.35 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _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.B_iso_max 287.10 _refine.B_iso_min 35.73 _refine.pdbx_overall_phase_error 23.300 _refine.occupancy_max 1.00 _refine.occupancy_min 1.00 _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1632 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 38 _refine_hist.number_atoms_solvent 2 _refine_hist.number_atoms_total 1672 _refine_hist.d_res_high 3.004 _refine_hist.d_res_low 51.973 # 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 f_bond_d 0.004 ? ? 1715 'X-RAY DIFFRACTION' ? f_angle_d 0.776 ? ? 2314 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 14.039 ? ? 590 'X-RAY DIFFRACTION' ? f_chiral_restr 0.054 ? ? 237 'X-RAY DIFFRACTION' ? f_plane_restr 0.002 ? ? 302 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 3.0041 3.3064 2523 0.2796 99.00 0.3258 . . 130 . . . . 'X-RAY DIFFRACTION' . 3.3064 3.7847 2504 0.2003 100.00 0.2318 . . 134 . . . . 'X-RAY DIFFRACTION' . 3.7847 4.7678 2542 0.1660 100.00 0.1734 . . 137 . . . . 'X-RAY DIFFRACTION' . 4.7678 51.9813 2536 0.2028 99.00 0.2475 . . 127 . . . . # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 3MQL _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_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 ? # _struct.entry_id 3MQL _struct.title 'Crystal structure of the fibronectin 6FnI1-2FnII7FnI fragment' _struct.pdbx_descriptor 'Fibronectin 1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3MQL _struct_keywords.pdbx_keywords 'CELL ADHESION' _struct_keywords.text 'CELL ADHESION, fibronectin, collagen, GBD, Fn2, Fn1' # 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 3 ? D N N 4 ? E N N 4 ? F N N 5 ? # _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 ASN A 147 ? GLN A 152 ? ASN A 451 GLN A 456 1 ? 6 HELX_P HELX_P2 2 ALA A 160 ? GLU A 163 ? ALA A 464 GLU A 467 5 ? 4 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 4 SG ? ? ? 1_555 A CYS 31 SG ? ? A CYS 308 A CYS 335 1_555 ? ? ? ? ? ? ? 2.027 ? disulf2 disulf ? ? A CYS 29 SG ? ? ? 1_555 A CYS 38 SG ? ? A CYS 333 A CYS 342 1_555 ? ? ? ? ? ? ? 2.042 ? disulf3 disulf ? ? A CYS 56 SG ? ? ? 1_555 A CYS 82 SG ? ? A CYS 360 A CYS 386 1_555 ? ? ? ? ? ? ? 2.032 ? disulf4 disulf ? ? A CYS 70 SG ? ? ? 1_555 A CYS 97 SG ? ? A CYS 374 A CYS 401 1_555 ? ? ? ? ? ? ? 2.024 ? disulf5 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 142 SG ? ? A CYS 420 A CYS 446 1_555 ? ? ? ? ? ? ? 2.018 ? disulf6 disulf ? ? A CYS 130 SG ? ? ? 1_555 A CYS 157 SG ? ? A CYS 434 A CYS 461 1_555 ? ? ? ? ? ? ? 2.026 ? disulf7 disulf ? ? A CYS 166 SG ? ? ? 1_555 A CYS 194 SG ? ? A CYS 470 A CYS 498 1_555 ? ? ? ? ? ? ? 2.024 ? disulf8 disulf ? ? A CYS 192 SG ? ? ? 1_555 A CYS 204 SG ? ? A CYS 496 A CYS 508 1_555 ? ? ? ? ? ? ? 2.034 ? covale1 covale ? ? A ASN 126 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 430 A NAG 525 1_555 ? ? ? ? ? ? ? 1.436 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 LEU 58 A . ? LEU 362 A PRO 59 A ? PRO 363 A 1 -4.75 2 PHE 118 A . ? PHE 422 A PRO 119 A ? PRO 423 A 1 -2.20 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 3 ? C ? 3 ? D ? 2 ? E ? 2 ? F ? 2 ? G ? 2 ? H ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel F 1 2 ? anti-parallel G 1 2 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? 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 CYS A 4 ? VAL A 5 ? CYS A 308 VAL A 309 A 2 VAL A 11 ? TYR A 12 ? VAL A 315 TYR A 316 B 1 GLN A 17 ? GLN A 22 ? GLN A 321 GLN A 326 B 2 LYS A 25 ? CYS A 31 ? LYS A 329 CYS A 335 B 3 VAL A 36 ? GLU A 40 ? VAL A 340 GLU A 344 C 1 THR A 46 ? TYR A 47 ? THR A 350 TYR A 351 C 2 TYR A 94 ? CYS A 97 ? TYR A 398 CYS A 401 C 3 LEU A 80 ? SER A 83 ? LEU A 384 SER A 387 D 1 PHE A 60 ? TYR A 62 ? PHE A 364 TYR A 366 D 2 ARG A 65 ? PHE A 67 ? ARG A 369 PHE A 371 E 1 PHE A 120 ? TYR A 122 ? PHE A 424 TYR A 426 E 2 HIS A 125 ? TYR A 127 ? HIS A 429 TYR A 431 F 1 TRP A 141 ? GLY A 143 ? TRP A 445 GLY A 447 F 2 PHE A 154 ? PHE A 156 ? PHE A 458 PHE A 460 G 1 ILE A 165 ? THR A 167 ? ILE A 469 THR A 471 G 2 MET A 173 ? ARG A 175 ? MET A 477 ARG A 479 H 1 GLN A 179 ? HIS A 184 ? GLN A 483 HIS A 488 H 2 HIS A 188 ? GLY A 196 ? HIS A 492 GLY A 500 H 3 GLU A 201 ? TYR A 207 ? GLU A 505 TYR A 511 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N CYS A 4 ? N CYS A 308 O TYR A 12 ? O TYR A 316 B 1 2 N LYS A 20 ? N LYS A 324 O MET A 27 ? O MET A 331 B 2 3 N LEU A 28 ? N LEU A 332 O GLN A 39 ? O GLN A 343 C 1 2 N TYR A 47 ? N TYR A 351 O PHE A 96 ? O PHE A 400 C 2 3 O CYS A 97 ? O CYS A 401 N LEU A 80 ? N LEU A 384 D 1 2 N PHE A 60 ? N PHE A 364 O PHE A 67 ? O PHE A 371 E 1 2 N TYR A 122 ? N TYR A 426 O HIS A 125 ? O HIS A 429 F 1 2 N CYS A 142 ? N CYS A 446 O GLY A 155 ? O GLY A 459 G 1 2 N CYS A 166 ? N CYS A 470 O TYR A 174 ? O TYR A 478 H 1 2 N TRP A 180 ? N TRP A 484 O CYS A 192 ? O CYS A 496 H 2 3 N ARG A 191 ? N ARG A 495 O ILE A 205 ? O ILE A 509 # 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 525' AC2 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MPD A 526' AC3 Software ? ? ? ? 8 'BINDING SITE FOR RESIDUE MRD A 527' AC4 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MRD A 528' # 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 3 GLY A 74 ? GLY A 378 . ? 4_554 ? 2 AC1 3 GLN A 76 ? GLN A 380 . ? 4_554 ? 3 AC1 3 ASN A 126 ? ASN A 430 . ? 1_555 ? 4 AC2 5 TYR A 122 ? TYR A 426 . ? 1_555 ? 5 AC2 5 GLU A 133 ? GLU A 437 . ? 1_555 ? 6 AC2 5 GLY A 134 ? GLY A 438 . ? 1_555 ? 7 AC2 5 ARG A 135 ? ARG A 439 . ? 1_555 ? 8 AC2 5 TRP A 141 ? TRP A 445 . ? 1_555 ? 9 AC3 8 TYR A 62 ? TYR A 366 . ? 1_555 ? 10 AC3 8 GLY A 74 ? GLY A 378 . ? 1_555 ? 11 AC3 8 ARG A 75 ? ARG A 379 . ? 1_555 ? 12 AC3 8 TRP A 81 ? TRP A 385 . ? 1_555 ? 13 AC3 8 TYR A 88 ? TYR A 392 . ? 1_555 ? 14 AC3 8 TYR A 94 ? TYR A 398 . ? 1_555 ? 15 AC3 8 GLN A 146 ? GLN A 450 . ? 3_545 ? 16 AC3 8 ASN A 147 ? ASN A 451 . ? 3_545 ? 17 AC4 5 CYS A 70 ? CYS A 374 . ? 1_555 ? 18 AC4 5 THR A 71 ? THR A 375 . ? 1_555 ? 19 AC4 5 THR A 72 ? THR A 376 . ? 1_555 ? 20 AC4 5 GLU A 73 ? GLU A 377 . ? 1_555 ? 21 AC4 5 HIS A 100 ? HIS A 404 . ? 1_555 ? # _database_PDB_matrix.entry_id 3MQL _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 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[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3MQL _atom_sites.fract_transf_matrix[1][1] 0.009620 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.009620 _atom_sites.fract_transf_matrix[2][3] 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] 0.009790 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C 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 . TYR A 1 1 ? 2.820 -11.784 8.524 1.00 71.22 ? 305 TYR A N 1 ATOM 2 C CA . TYR A 1 1 ? 3.780 -11.732 9.618 1.00 70.53 ? 305 TYR A CA 1 ATOM 3 C C . TYR A 1 1 ? 3.234 -10.926 10.781 1.00 70.66 ? 305 TYR A C 1 ATOM 4 O O . TYR A 1 1 ? 2.978 -9.729 10.655 1.00 73.77 ? 305 TYR A O 1 ATOM 5 C CB . TYR A 1 1 ? 5.103 -11.131 9.152 1.00 75.91 ? 305 TYR A CB 1 ATOM 6 C CG . TYR A 1 1 ? 5.782 -11.931 8.071 1.00 83.85 ? 305 TYR A CG 1 ATOM 7 C CD1 . TYR A 1 1 ? 6.864 -12.751 8.360 1.00 83.65 ? 305 TYR A CD1 1 ATOM 8 C CD2 . TYR A 1 1 ? 5.334 -11.871 6.759 1.00 91.46 ? 305 TYR A CD2 1 ATOM 9 C CE1 . TYR A 1 1 ? 7.484 -13.484 7.369 1.00 87.03 ? 305 TYR A CE1 1 ATOM 10 C CE2 . TYR A 1 1 ? 5.944 -12.600 5.764 1.00 94.58 ? 305 TYR A CE2 1 ATOM 11 C CZ . TYR A 1 1 ? 7.017 -13.405 6.072 1.00 93.95 ? 305 TYR A CZ 1 ATOM 12 O OH . TYR A 1 1 ? 7.623 -14.135 5.076 1.00 97.24 ? 305 TYR A OH 1 ATOM 13 N N . GLY A 1 2 ? 3.067 -11.597 11.915 1.00 66.51 ? 306 GLY A N 1 ATOM 14 C CA . GLY A 1 2 ? 2.581 -10.971 13.125 1.00 64.14 ? 306 GLY A CA 1 ATOM 15 C C . GLY A 1 2 ? 2.030 -12.012 14.075 1.00 67.14 ? 306 GLY A C 1 ATOM 16 O O . GLY A 1 2 ? 2.233 -13.210 13.886 1.00 69.04 ? 306 GLY A O 1 ATOM 17 N N . ASP A 1 3 ? 1.323 -11.551 15.099 1.00 69.85 ? 307 ASP A N 1 ATOM 18 C CA . ASP A 1 3 ? 0.740 -12.438 16.100 1.00 69.02 ? 307 ASP A CA 1 ATOM 19 C C . ASP A 1 3 ? -0.258 -13.414 15.483 1.00 65.10 ? 307 ASP A C 1 ATOM 20 O O . ASP A 1 3 ? -0.853 -13.132 14.444 1.00 63.45 ? 307 ASP A O 1 ATOM 21 C CB . ASP A 1 3 ? 0.076 -11.620 17.212 1.00 72.72 ? 307 ASP A CB 1 ATOM 22 C CG . ASP A 1 3 ? 1.070 -10.763 17.978 1.00 74.96 ? 307 ASP A CG 1 ATOM 23 O OD1 . ASP A 1 3 ? 2.279 -11.083 17.958 1.00 71.68 ? 307 ASP A OD1 1 ATOM 24 O OD2 . ASP A 1 3 ? 0.640 -9.773 18.606 1.00 76.76 ? 307 ASP A OD2 1 ATOM 25 N N . CYS A 1 4 ? -0.429 -14.561 16.130 1.00 64.07 ? 308 CYS A N 1 ATOM 26 C CA . CYS A 1 4 ? -1.302 -15.608 15.623 1.00 63.69 ? 308 CYS A CA 1 ATOM 27 C C . CYS A 1 4 ? -2.746 -15.348 16.030 1.00 66.81 ? 308 CYS A C 1 ATOM 28 O O . CYS A 1 4 ? -3.007 -14.721 17.057 1.00 68.92 ? 308 CYS A O 1 ATOM 29 C CB . CYS A 1 4 ? -0.855 -16.971 16.155 1.00 59.88 ? 308 CYS A CB 1 ATOM 30 S SG . CYS A 1 4 ? 0.871 -17.378 15.794 1.00 105.20 ? 308 CYS A SG 1 ATOM 31 N N . VAL A 1 5 ? -3.682 -15.825 15.216 1.00 66.17 ? 309 VAL A N 1 ATOM 32 C CA . VAL A 1 5 ? -5.095 -15.798 15.572 1.00 68.56 ? 309 VAL A CA 1 ATOM 33 C C . VAL A 1 5 ? -5.732 -17.155 15.313 1.00 74.31 ? 309 VAL A C 1 ATOM 34 O O . VAL A 1 5 ? -5.886 -17.568 14.164 1.00 77.55 ? 309 VAL A O 1 ATOM 35 C CB . VAL A 1 5 ? -5.874 -14.729 14.790 1.00 69.73 ? 309 VAL A CB 1 ATOM 36 C CG1 . VAL A 1 5 ? -7.370 -14.877 15.041 1.00 68.65 ? 309 VAL A CG1 1 ATOM 37 C CG2 . VAL A 1 5 ? -5.397 -13.335 15.174 1.00 70.64 ? 309 VAL A CG2 1 ATOM 38 N N . THR A 1 6 ? -6.107 -17.840 16.388 1.00 77.91 ? 310 THR A N 1 ATOM 39 C CA . THR A 1 6 ? -6.701 -19.165 16.289 1.00 82.58 ? 310 THR A CA 1 ATOM 40 C C . THR A 1 6 ? -7.985 -19.136 15.473 1.00 90.71 ? 310 THR A C 1 ATOM 41 O O . THR A 1 6 ? -8.524 -18.068 15.178 1.00 93.67 ? 310 THR A O 1 ATOM 42 C CB . THR A 1 6 ? -7.031 -19.717 17.676 1.00 80.52 ? 310 THR A CB 1 ATOM 43 O OG1 . THR A 1 6 ? -7.913 -18.809 18.345 1.00 80.51 ? 310 THR A OG1 1 ATOM 44 C CG2 . THR A 1 6 ? -5.767 -19.876 18.501 1.00 79.69 ? 310 THR A CG2 1 ATOM 45 N N . ASP A 1 7 ? -8.470 -20.318 15.109 1.00 93.88 ? 311 ASP A N 1 ATOM 46 C CA . ASP A 1 7 ? -9.737 -20.431 14.403 1.00 97.60 ? 311 ASP A CA 1 ATOM 47 C C . ASP A 1 7 ? -10.857 -19.838 15.242 1.00 96.50 ? 311 ASP A C 1 ATOM 48 O O . ASP A 1 7 ? -11.757 -19.178 14.723 1.00 97.02 ? 311 ASP A O 1 ATOM 49 C CB . ASP A 1 7 ? -10.041 -21.892 14.083 1.00 101.40 ? 311 ASP A CB 1 ATOM 50 C CG . ASP A 1 7 ? -9.367 -22.359 12.812 1.00 106.16 ? 311 ASP A CG 1 ATOM 51 O OD1 . ASP A 1 7 ? -8.703 -21.531 12.152 1.00 107.14 ? 311 ASP A OD1 1 ATOM 52 O OD2 . ASP A 1 7 ? -9.508 -23.552 12.470 1.00 108.24 ? 311 ASP A OD2 1 ATOM 53 N N . SER A 1 8 ? -10.786 -20.073 16.546 1.00 94.29 ? 312 SER A N 1 ATOM 54 C CA . SER A 1 8 ? -11.779 -19.564 17.480 1.00 94.49 ? 312 SER A CA 1 ATOM 55 C C . SER A 1 8 ? -11.723 -18.043 17.625 1.00 94.64 ? 312 SER A C 1 ATOM 56 O O . SER A 1 8 ? -12.599 -17.441 18.244 1.00 96.48 ? 312 SER A O 1 ATOM 57 C CB . SER A 1 8 ? -11.606 -20.231 18.844 1.00 95.80 ? 312 SER A CB 1 ATOM 58 O OG . SER A 1 8 ? -10.234 -20.357 19.174 1.00 97.52 ? 312 SER A OG 1 ATOM 59 N N . GLY A 1 9 ? -10.696 -17.423 17.054 1.00 91.60 ? 313 GLY A N 1 ATOM 60 C CA . GLY A 1 9 ? -10.568 -15.978 17.109 1.00 90.08 ? 313 GLY A CA 1 ATOM 61 C C . GLY A 1 9 ? -9.686 -15.486 18.242 1.00 87.51 ? 313 GLY A C 1 ATOM 62 O O . GLY A 1 9 ? -9.420 -14.289 18.352 1.00 87.27 ? 313 GLY A O 1 ATOM 63 N N . VAL A 1 10 ? -9.239 -16.412 19.089 1.00 83.97 ? 314 VAL A N 1 ATOM 64 C CA . VAL A 1 10 ? -8.295 -16.102 20.162 1.00 78.72 ? 314 VAL A CA 1 ATOM 65 C C . VAL A 1 10 ? -6.983 -15.588 19.571 1.00 74.92 ? 314 VAL A C 1 ATOM 66 O O . VAL A 1 10 ? -6.626 -15.935 18.447 1.00 78.04 ? 314 VAL A O 1 ATOM 67 C CB . VAL A 1 10 ? -7.993 -17.345 21.027 1.00 74.43 ? 314 VAL A CB 1 ATOM 68 C CG1 . VAL A 1 10 ? -7.260 -16.947 22.304 1.00 71.43 ? 314 VAL A CG1 1 ATOM 69 C CG2 . VAL A 1 10 ? -9.273 -18.108 21.340 1.00 71.33 ? 314 VAL A CG2 1 ATOM 70 N N . VAL A 1 11 ? -6.259 -14.776 20.335 1.00 67.01 ? 315 VAL A N 1 ATOM 71 C CA . VAL A 1 11 ? -5.061 -14.116 19.825 1.00 58.82 ? 315 VAL A CA 1 ATOM 72 C C . VAL A 1 11 ? -3.822 -14.357 20.674 1.00 59.86 ? 315 VAL A C 1 ATOM 73 O O . VAL A 1 11 ? -3.805 -14.040 21.864 1.00 59.87 ? 315 VAL A O 1 ATOM 74 C CB . VAL A 1 11 ? -5.272 -12.605 19.731 1.00 53.61 ? 315 VAL A CB 1 ATOM 75 C CG1 . VAL A 1 11 ? -3.940 -11.893 19.545 1.00 49.55 ? 315 VAL A CG1 1 ATOM 76 C CG2 . VAL A 1 11 ? -6.244 -12.284 18.609 1.00 54.88 ? 315 VAL A CG2 1 ATOM 77 N N . TYR A 1 12 ? -2.776 -14.891 20.046 1.00 59.90 ? 316 TYR A N 1 ATOM 78 C CA . TYR A 1 12 ? -1.512 -15.140 20.733 1.00 54.84 ? 316 TYR A CA 1 ATOM 79 C C . TYR A 1 12 ? -0.358 -14.343 20.130 1.00 55.17 ? 316 TYR A C 1 ATOM 80 O O . TYR A 1 12 ? -0.228 -14.246 18.912 1.00 54.94 ? 316 TYR A O 1 ATOM 81 C CB . TYR A 1 12 ? -1.183 -16.630 20.712 1.00 50.04 ? 316 TYR A CB 1 ATOM 82 C CG . TYR A 1 12 ? -2.179 -17.479 21.463 1.00 51.03 ? 316 TYR A CG 1 ATOM 83 C CD1 . TYR A 1 12 ? -2.150 -17.552 22.850 1.00 50.91 ? 316 TYR A CD1 1 ATOM 84 C CD2 . TYR A 1 12 ? -3.151 -18.208 20.788 1.00 51.09 ? 316 TYR A CD2 1 ATOM 85 C CE1 . TYR A 1 12 ? -3.060 -18.328 23.545 1.00 51.00 ? 316 TYR A CE1 1 ATOM 86 C CE2 . TYR A 1 12 ? -4.063 -18.988 21.475 1.00 51.82 ? 316 TYR A CE2 1 ATOM 87 C CZ . TYR A 1 12 ? -4.011 -19.045 22.853 1.00 51.43 ? 316 TYR A CZ 1 ATOM 88 O OH . TYR A 1 12 ? -4.914 -19.819 23.542 1.00 49.90 ? 316 TYR A OH 1 ATOM 89 N N . SER A 1 13 ? 0.478 -13.772 20.988 1.00 56.28 ? 317 SER A N 1 ATOM 90 C CA . SER A 1 13 ? 1.660 -13.064 20.523 1.00 61.07 ? 317 SER A CA 1 ATOM 91 C C . SER A 1 13 ? 2.658 -14.037 19.917 1.00 64.53 ? 317 SER A C 1 ATOM 92 O O . SER A 1 13 ? 2.591 -15.242 20.160 1.00 67.56 ? 317 SER A O 1 ATOM 93 C CB . SER A 1 13 ? 2.320 -12.300 21.671 1.00 64.32 ? 317 SER A CB 1 ATOM 94 O OG . SER A 1 13 ? 1.494 -11.243 22.119 1.00 71.09 ? 317 SER A OG 1 ATOM 95 N N . VAL A 1 14 ? 3.583 -13.509 19.125 1.00 63.77 ? 318 VAL A N 1 ATOM 96 C CA . VAL A 1 14 ? 4.667 -14.312 18.580 1.00 60.46 ? 318 VAL A CA 1 ATOM 97 C C . VAL A 1 14 ? 5.505 -14.921 19.702 1.00 58.20 ? 318 VAL A C 1 ATOM 98 O O . VAL A 1 14 ? 5.927 -14.222 20.622 1.00 58.38 ? 318 VAL A O 1 ATOM 99 C CB . VAL A 1 14 ? 5.577 -13.462 17.679 1.00 56.38 ? 318 VAL A CB 1 ATOM 100 C CG1 . VAL A 1 14 ? 6.862 -14.202 17.365 1.00 56.87 ? 318 VAL A CG1 1 ATOM 101 C CG2 . VAL A 1 14 ? 4.848 -13.082 16.407 1.00 55.52 ? 318 VAL A CG2 1 ATOM 102 N N . GLY A 1 15 ? 5.736 -16.227 19.632 1.00 52.82 ? 319 GLY A N 1 ATOM 103 C CA . GLY A 1 15 ? 6.605 -16.886 20.587 1.00 50.86 ? 319 GLY A CA 1 ATOM 104 C C . GLY A 1 15 ? 5.861 -17.455 21.774 1.00 52.30 ? 319 GLY A C 1 ATOM 105 O O . GLY A 1 15 ? 6.451 -18.117 22.629 1.00 51.29 ? 319 GLY A O 1 ATOM 106 N N . MET A 1 16 ? 4.562 -17.188 21.834 1.00 54.34 ? 320 MET A N 1 ATOM 107 C CA . MET A 1 16 ? 3.721 -17.757 22.876 1.00 54.44 ? 320 MET A CA 1 ATOM 108 C C . MET A 1 16 ? 3.399 -19.210 22.558 1.00 58.03 ? 320 MET A C 1 ATOM 109 O O . MET A 1 16 ? 3.499 -19.648 21.413 1.00 62.95 ? 320 MET A O 1 ATOM 110 C CB . MET A 1 16 ? 2.420 -16.968 23.022 1.00 55.20 ? 320 MET A CB 1 ATOM 111 C CG . MET A 1 16 ? 2.528 -15.696 23.840 1.00 58.13 ? 320 MET A CG 1 ATOM 112 S SD . MET A 1 16 ? 0.903 -14.947 24.080 1.00 67.05 ? 320 MET A SD 1 ATOM 113 C CE . MET A 1 16 ? 1.307 -13.567 25.145 1.00 80.94 ? 320 MET A CE 1 ATOM 114 N N . GLN A 1 17 ? 3.016 -19.958 23.580 1.00 55.33 ? 321 GLN A N 1 ATOM 115 C CA . GLN A 1 17 ? 2.615 -21.337 23.389 1.00 54.72 ? 321 GLN A CA 1 ATOM 116 C C . GLN A 1 17 ? 1.338 -21.613 24.153 1.00 58.50 ? 321 GLN A C 1 ATOM 117 O O . GLN A 1 17 ? 1.106 -21.051 25.222 1.00 60.84 ? 321 GLN A O 1 ATOM 118 C CB . GLN A 1 17 ? 3.713 -22.288 23.850 1.00 54.45 ? 321 GLN A CB 1 ATOM 119 C CG . GLN A 1 17 ? 4.956 -22.250 22.995 1.00 55.22 ? 321 GLN A CG 1 ATOM 120 C CD . GLN A 1 17 ? 5.884 -23.398 23.293 1.00 58.61 ? 321 GLN A CD 1 ATOM 121 O OE1 . GLN A 1 17 ? 5.973 -23.860 24.428 1.00 58.51 ? 321 GLN A OE1 1 ATOM 122 N NE2 . GLN A 1 17 ? 6.582 -23.872 22.273 1.00 64.66 ? 321 GLN A NE2 1 ATOM 123 N N . TRP A 1 18 ? 0.506 -22.477 23.593 1.00 56.80 ? 322 TRP A N 1 ATOM 124 C CA . TRP A 1 18 ? -0.721 -22.872 24.250 1.00 50.84 ? 322 TRP A CA 1 ATOM 125 C C . TRP A 1 18 ? -1.006 -24.320 23.907 1.00 52.53 ? 322 TRP A C 1 ATOM 126 O O . TRP A 1 18 ? -0.307 -24.930 23.096 1.00 45.48 ? 322 TRP A O 1 ATOM 127 C CB . TRP A 1 18 ? -1.878 -21.979 23.812 1.00 45.13 ? 322 TRP A CB 1 ATOM 128 C CG . TRP A 1 18 ? -2.150 -22.053 22.350 1.00 47.45 ? 322 TRP A CG 1 ATOM 129 C CD1 . TRP A 1 18 ? -3.104 -22.806 21.731 1.00 49.09 ? 322 TRP A CD1 1 ATOM 130 C CD2 . TRP A 1 18 ? -1.448 -21.359 21.309 1.00 47.83 ? 322 TRP A CD2 1 ATOM 131 N NE1 . TRP A 1 18 ? -3.043 -22.618 20.370 1.00 48.84 ? 322 TRP A NE1 1 ATOM 132 C CE2 . TRP A 1 18 ? -2.035 -21.734 20.087 1.00 44.58 ? 322 TRP A CE2 1 ATOM 133 C CE3 . TRP A 1 18 ? -0.382 -20.453 21.295 1.00 49.55 ? 322 TRP A CE3 1 ATOM 134 C CZ2 . TRP A 1 18 ? -1.594 -21.238 18.865 1.00 45.92 ? 322 TRP A CZ2 1 ATOM 135 C CZ3 . TRP A 1 18 ? 0.052 -19.959 20.080 1.00 52.02 ? 322 TRP A CZ3 1 ATOM 136 C CH2 . TRP A 1 18 ? -0.552 -20.352 18.882 1.00 51.33 ? 322 TRP A CH2 1 ATOM 137 N N . LEU A 1 19 ? -2.038 -24.865 24.536 1.00 60.55 ? 323 LEU A N 1 ATOM 138 C CA . LEU A 1 19 ? -2.390 -26.259 24.355 1.00 59.09 ? 323 LEU A CA 1 ATOM 139 C C . LEU A 1 19 ? -3.685 -26.375 23.575 1.00 64.55 ? 323 LEU A C 1 ATOM 140 O O . LEU A 1 19 ? -4.668 -25.701 23.874 1.00 64.04 ? 323 LEU A O 1 ATOM 141 C CB . LEU A 1 19 ? -2.531 -26.942 25.713 1.00 53.76 ? 323 LEU A CB 1 ATOM 142 C CG . LEU A 1 19 ? -1.280 -26.909 26.587 1.00 48.22 ? 323 LEU A CG 1 ATOM 143 C CD1 . LEU A 1 19 ? -1.588 -27.418 27.982 1.00 41.14 ? 323 LEU A CD1 1 ATOM 144 C CD2 . LEU A 1 19 ? -0.182 -27.726 25.931 1.00 50.73 ? 323 LEU A CD2 1 ATOM 145 N N . LYS A 1 20 ? -3.672 -27.226 22.560 1.00 73.24 ? 324 LYS A N 1 ATOM 146 C CA . LYS A 1 20 ? -4.859 -27.494 21.767 1.00 80.50 ? 324 LYS A CA 1 ATOM 147 C C . LYS A 1 20 ? -5.095 -28.994 21.816 1.00 86.09 ? 324 LYS A C 1 ATOM 148 O O . LYS A 1 20 ? -4.149 -29.763 21.974 1.00 86.38 ? 324 LYS A O 1 ATOM 149 C CB . LYS A 1 20 ? -4.642 -27.033 20.325 1.00 81.69 ? 324 LYS A CB 1 ATOM 150 C CG . LYS A 1 20 ? -5.905 -26.976 19.485 1.00 85.69 ? 324 LYS A CG 1 ATOM 151 C CD . LYS A 1 20 ? -5.589 -26.682 18.024 1.00 89.37 ? 324 LYS A CD 1 ATOM 152 C CE . LYS A 1 20 ? -4.729 -27.779 17.415 1.00 90.78 ? 324 LYS A CE 1 ATOM 153 N NZ . LYS A 1 20 ? -4.616 -27.655 15.936 1.00 92.35 ? 324 LYS A NZ 1 ATOM 154 N N . THR A 1 21 ? -6.349 -29.415 21.696 1.00 92.15 ? 325 THR A N 1 ATOM 155 C CA . THR A 1 21 ? -6.659 -30.840 21.714 1.00 97.48 ? 325 THR A CA 1 ATOM 156 C C . THR A 1 21 ? -7.179 -31.330 20.364 1.00 103.11 ? 325 THR A C 1 ATOM 157 O O . THR A 1 21 ? -8.276 -30.970 19.941 1.00 104.50 ? 325 THR A O 1 ATOM 158 C CB . THR A 1 21 ? -7.665 -31.187 22.827 1.00 97.70 ? 325 THR A CB 1 ATOM 159 O OG1 . THR A 1 21 ? -8.740 -30.240 22.810 1.00 100.34 ? 325 THR A OG1 1 ATOM 160 C CG2 . THR A 1 21 ? -6.986 -31.144 24.189 1.00 96.34 ? 325 THR A CG2 1 ATOM 161 N N . GLN A 1 22 ? -6.374 -32.142 19.686 1.00 107.04 ? 326 GLN A N 1 ATOM 162 C CA . GLN A 1 22 ? -6.779 -32.754 18.426 1.00 110.78 ? 326 GLN A CA 1 ATOM 163 C C . GLN A 1 22 ? -7.098 -34.224 18.666 1.00 113.22 ? 326 GLN A C 1 ATOM 164 O O . GLN A 1 22 ? -6.204 -35.025 18.939 1.00 112.59 ? 326 GLN A O 1 ATOM 165 C CB . GLN A 1 22 ? -5.674 -32.620 17.376 1.00 112.59 ? 326 GLN A CB 1 ATOM 166 C CG . GLN A 1 22 ? -5.374 -31.188 16.947 1.00 116.52 ? 326 GLN A CG 1 ATOM 167 C CD . GLN A 1 22 ? -6.095 -30.786 15.670 1.00 119.16 ? 326 GLN A CD 1 ATOM 168 O OE1 . GLN A 1 22 ? -7.087 -30.057 15.703 1.00 120.69 ? 326 GLN A OE1 1 ATOM 169 N NE2 . GLN A 1 22 ? -5.590 -31.257 14.536 1.00 118.84 ? 326 GLN A NE2 1 ATOM 170 N N . GLY A 1 23 ? -8.376 -34.573 18.572 1.00 115.36 ? 327 GLY A N 1 ATOM 171 C CA . GLY A 1 23 ? -8.811 -35.929 18.845 1.00 116.32 ? 327 GLY A CA 1 ATOM 172 C C . GLY A 1 23 ? -8.459 -36.356 20.257 1.00 116.15 ? 327 GLY A C 1 ATOM 173 O O . GLY A 1 23 ? -8.791 -35.672 21.226 1.00 114.65 ? 327 GLY A O 1 ATOM 174 N N . ASN A 1 24 ? -7.778 -37.490 20.373 1.00 116.42 ? 328 ASN A N 1 ATOM 175 C CA . ASN A 1 24 ? -7.396 -38.023 21.675 1.00 115.29 ? 328 ASN A CA 1 ATOM 176 C C . ASN A 1 24 ? -6.018 -37.558 22.118 1.00 110.44 ? 328 ASN A C 1 ATOM 177 O O . ASN A 1 24 ? -5.482 -38.042 23.113 1.00 108.59 ? 328 ASN A O 1 ATOM 178 C CB . ASN A 1 24 ? -7.436 -39.550 21.653 1.00 117.83 ? 328 ASN A CB 1 ATOM 179 C CG . ASN A 1 24 ? -8.847 -40.093 21.643 1.00 121.72 ? 328 ASN A CG 1 ATOM 180 O OD1 . ASN A 1 24 ? -9.769 -39.471 22.173 1.00 122.24 ? 328 ASN A OD1 1 ATOM 181 N ND2 . ASN A 1 24 ? -9.025 -41.266 21.045 1.00 123.79 ? 328 ASN A ND2 1 ATOM 182 N N . LYS A 1 25 ? -5.448 -36.613 21.382 1.00 107.58 ? 329 LYS A N 1 ATOM 183 C CA . LYS A 1 25 ? -4.073 -36.200 21.623 1.00 104.85 ? 329 LYS A CA 1 ATOM 184 C C . LYS A 1 25 ? -3.972 -34.742 22.057 1.00 97.09 ? 329 LYS A C 1 ATOM 185 O O . LYS A 1 25 ? -4.770 -33.900 21.639 1.00 97.49 ? 329 LYS A O 1 ATOM 186 C CB . LYS A 1 25 ? -3.236 -36.432 20.364 1.00 110.01 ? 329 LYS A CB 1 ATOM 187 C CG . LYS A 1 25 ? -3.351 -37.844 19.809 1.00 113.43 ? 329 LYS A CG 1 ATOM 188 C CD . LYS A 1 25 ? -2.844 -37.927 18.378 1.00 114.77 ? 329 LYS A CD 1 ATOM 189 C CE . LYS A 1 25 ? -3.108 -39.301 17.782 1.00 115.68 ? 329 LYS A CE 1 ATOM 190 N NZ . LYS A 1 25 ? -4.549 -39.679 17.868 1.00 116.38 ? 329 LYS A NZ 1 ATOM 191 N N . GLN A 1 26 ? -2.987 -34.450 22.900 1.00 87.74 ? 330 GLN A N 1 ATOM 192 C CA . GLN A 1 26 ? -2.747 -33.081 23.332 1.00 79.59 ? 330 GLN A CA 1 ATOM 193 C C . GLN A 1 26 ? -1.600 -32.456 22.545 1.00 71.49 ? 330 GLN A C 1 ATOM 194 O O . GLN A 1 26 ? -0.515 -33.028 22.448 1.00 69.72 ? 330 GLN A O 1 ATOM 195 C CB . GLN A 1 26 ? -2.455 -33.015 24.828 1.00 77.88 ? 330 GLN A CB 1 ATOM 196 C CG . GLN A 1 26 ? -2.461 -31.600 25.367 1.00 77.25 ? 330 GLN A CG 1 ATOM 197 C CD . GLN A 1 26 ? -2.160 -31.536 26.844 1.00 76.96 ? 330 GLN A CD 1 ATOM 198 O OE1 . GLN A 1 26 ? -1.177 -32.108 27.317 1.00 76.49 ? 330 GLN A OE1 1 ATOM 199 N NE2 . GLN A 1 26 ? -3.004 -30.829 27.587 1.00 75.77 ? 330 GLN A NE2 1 ATOM 200 N N . MET A 1 27 ? -1.848 -31.277 21.989 1.00 65.96 ? 331 MET A N 1 ATOM 201 C CA . MET A 1 27 ? -0.871 -30.619 21.138 1.00 60.45 ? 331 MET A CA 1 ATOM 202 C C . MET A 1 27 ? -0.279 -29.407 21.828 1.00 55.04 ? 331 MET A C 1 ATOM 203 O O . MET A 1 27 ? -0.948 -28.747 22.618 1.00 56.52 ? 331 MET A O 1 ATOM 204 C CB . MET A 1 27 ? -1.522 -30.183 19.824 1.00 63.16 ? 331 MET A CB 1 ATOM 205 C CG . MET A 1 27 ? -2.262 -31.290 19.097 1.00 63.20 ? 331 MET A CG 1 ATOM 206 S SD . MET A 1 27 ? -1.180 -32.680 18.729 1.00 65.84 ? 331 MET A SD 1 ATOM 207 C CE . MET A 1 27 ? -0.068 -31.940 17.538 1.00 45.46 ? 331 MET A CE 1 ATOM 208 N N . LEU A 1 28 ? 0.980 -29.119 21.523 1.00 51.57 ? 332 LEU A N 1 ATOM 209 C CA . LEU A 1 28 ? 1.615 -27.897 21.989 1.00 47.92 ? 332 LEU A CA 1 ATOM 210 C C . LEU A 1 28 ? 1.780 -26.934 20.815 1.00 54.88 ? 332 LEU A C 1 ATOM 211 O O . LEU A 1 28 ? 2.572 -27.168 19.902 1.00 58.90 ? 332 LEU A O 1 ATOM 212 C CB . LEU A 1 28 ? 2.962 -28.195 22.646 1.00 37.73 ? 332 LEU A CB 1 ATOM 213 C CG . LEU A 1 28 ? 3.714 -26.966 23.160 1.00 41.82 ? 332 LEU A CG 1 ATOM 214 C CD1 . LEU A 1 28 ? 2.778 -26.026 23.912 1.00 46.32 ? 332 LEU A CD1 1 ATOM 215 C CD2 . LEU A 1 28 ? 4.885 -27.370 24.030 1.00 41.82 ? 332 LEU A CD2 1 ATOM 216 N N . CYS A 1 29 ? 1.020 -25.847 20.839 1.00 51.06 ? 333 CYS A N 1 ATOM 217 C CA . CYS A 1 29 ? 1.014 -24.919 19.722 1.00 46.44 ? 333 CYS A CA 1 ATOM 218 C C . CYS A 1 29 ? 1.873 -23.693 19.973 1.00 44.52 ? 333 CYS A C 1 ATOM 219 O O . CYS A 1 29 ? 1.798 -23.074 21.032 1.00 43.69 ? 333 CYS A O 1 ATOM 220 C CB . CYS A 1 29 ? -0.416 -24.521 19.377 1.00 44.13 ? 333 CYS A CB 1 ATOM 221 S SG . CYS A 1 29 ? -1.375 -25.897 18.744 1.00 71.23 ? 333 CYS A SG 1 ATOM 222 N N . THR A 1 30 ? 2.693 -23.357 18.983 1.00 43.42 ? 334 THR A N 1 ATOM 223 C CA . THR A 1 30 ? 3.588 -22.213 19.073 1.00 44.84 ? 334 THR A CA 1 ATOM 224 C C . THR A 1 30 ? 3.245 -21.197 17.996 1.00 47.56 ? 334 THR A C 1 ATOM 225 O O . THR A 1 30 ? 2.902 -21.568 16.879 1.00 50.77 ? 334 THR A O 1 ATOM 226 C CB . THR A 1 30 ? 5.047 -22.643 18.877 1.00 41.76 ? 334 THR A CB 1 ATOM 227 O OG1 . THR A 1 30 ? 5.316 -23.803 19.674 1.00 46.79 ? 334 THR A OG1 1 ATOM 228 C CG2 . THR A 1 30 ? 5.990 -21.525 19.267 1.00 35.73 ? 334 THR A CG2 1 ATOM 229 N N . CYS A 1 31 ? 3.332 -19.916 18.331 1.00 48.63 ? 335 CYS A N 1 ATOM 230 C CA . CYS A 1 31 ? 3.141 -18.869 17.337 1.00 55.80 ? 335 CYS A CA 1 ATOM 231 C C . CYS A 1 31 ? 4.470 -18.562 16.654 1.00 58.87 ? 335 CYS A C 1 ATOM 232 O O . CYS A 1 31 ? 5.407 -18.070 17.285 1.00 59.89 ? 335 CYS A O 1 ATOM 233 C CB . CYS A 1 31 ? 2.568 -17.604 17.973 1.00 58.16 ? 335 CYS A CB 1 ATOM 234 S SG . CYS A 1 31 ? 2.243 -16.263 16.786 1.00 64.11 ? 335 CYS A SG 1 ATOM 235 N N . LEU A 1 32 ? 4.545 -18.855 15.362 1.00 56.71 ? 336 LEU A N 1 ATOM 236 C CA . LEU A 1 32 ? 5.776 -18.659 14.612 1.00 56.91 ? 336 LEU A CA 1 ATOM 237 C C . LEU A 1 32 ? 5.905 -17.219 14.135 1.00 61.58 ? 336 LEU A C 1 ATOM 238 O O . LEU A 1 32 ? 7.003 -16.751 13.839 1.00 63.17 ? 336 LEU A O 1 ATOM 239 C CB . LEU A 1 32 ? 5.827 -19.616 13.421 1.00 56.65 ? 336 LEU A CB 1 ATOM 240 C CG . LEU A 1 32 ? 5.344 -21.044 13.691 1.00 54.08 ? 336 LEU A CG 1 ATOM 241 C CD1 . LEU A 1 32 ? 5.364 -21.866 12.413 1.00 52.28 ? 336 LEU A CD1 1 ATOM 242 C CD2 . LEU A 1 32 ? 6.166 -21.718 14.775 1.00 50.27 ? 336 LEU A CD2 1 ATOM 243 N N . GLY A 1 33 ? 4.780 -16.515 14.072 1.00 65.16 ? 337 GLY A N 1 ATOM 244 C CA . GLY A 1 33 ? 4.759 -15.165 13.540 1.00 66.84 ? 337 GLY A CA 1 ATOM 245 C C . GLY A 1 33 ? 4.674 -15.240 12.031 1.00 68.16 ? 337 GLY A C 1 ATOM 246 O O . GLY A 1 33 ? 4.455 -14.246 11.343 1.00 68.24 ? 337 GLY A O 1 ATOM 247 N N . ASN A 1 34 ? 4.860 -16.452 11.525 1.00 69.67 ? 338 ASN A N 1 ATOM 248 C CA . ASN A 1 34 ? 4.757 -16.749 10.108 1.00 63.14 ? 338 ASN A CA 1 ATOM 249 C C . ASN A 1 34 ? 3.570 -17.680 9.929 1.00 58.88 ? 338 ASN A C 1 ATOM 250 O O . ASN A 1 34 ? 3.129 -17.950 8.816 1.00 58.37 ? 338 ASN A O 1 ATOM 251 C CB . ASN A 1 34 ? 6.030 -17.445 9.642 1.00 63.35 ? 338 ASN A CB 1 ATOM 252 C CG . ASN A 1 34 ? 6.078 -17.625 8.152 1.00 76.75 ? 338 ASN A CG 1 ATOM 253 O OD1 . ASN A 1 34 ? 5.384 -16.929 7.410 1.00 85.85 ? 338 ASN A OD1 1 ATOM 254 N ND2 . ASN A 1 34 ? 6.906 -18.555 7.696 1.00 80.08 ? 338 ASN A ND2 1 ATOM 255 N N . GLY A 1 35 ? 3.056 -18.161 11.057 1.00 53.61 ? 339 GLY A N 1 ATOM 256 C CA . GLY A 1 35 ? 1.999 -19.150 11.081 1.00 48.91 ? 339 GLY A CA 1 ATOM 257 C C . GLY A 1 35 ? 2.018 -19.855 12.424 1.00 46.23 ? 339 GLY A C 1 ATOM 258 O O . GLY A 1 35 ? 2.430 -19.280 13.429 1.00 42.20 ? 339 GLY A O 1 ATOM 259 N N . VAL A 1 36 ? 1.581 -21.108 12.443 1.00 46.66 ? 340 VAL A N 1 ATOM 260 C CA . VAL A 1 36 ? 1.537 -21.876 13.683 1.00 47.34 ? 340 VAL A CA 1 ATOM 261 C C . VAL A 1 36 ? 2.135 -23.261 13.492 1.00 49.31 ? 340 VAL A C 1 ATOM 262 O O . VAL A 1 36 ? 2.241 -23.753 12.374 1.00 51.36 ? 340 VAL A O 1 ATOM 263 C CB . VAL A 1 36 ? 0.091 -22.026 14.209 1.00 48.29 ? 340 VAL A CB 1 ATOM 264 C CG1 . VAL A 1 36 ? 0.073 -22.747 15.551 1.00 41.41 ? 340 VAL A CG1 1 ATOM 265 C CG2 . VAL A 1 36 ? -0.569 -20.664 14.331 1.00 52.99 ? 340 VAL A CG2 1 ATOM 266 N N . SER A 1 37 ? 2.529 -23.883 14.596 1.00 51.87 ? 341 SER A N 1 ATOM 267 C CA . SER A 1 37 ? 3.037 -25.244 14.571 1.00 51.27 ? 341 SER A CA 1 ATOM 268 C C . SER A 1 37 ? 2.668 -25.966 15.859 1.00 56.05 ? 341 SER A C 1 ATOM 269 O O . SER A 1 37 ? 3.000 -25.517 16.955 1.00 62.28 ? 341 SER A O 1 ATOM 270 C CB . SER A 1 37 ? 4.549 -25.245 14.381 1.00 49.51 ? 341 SER A CB 1 ATOM 271 O OG . SER A 1 37 ? 5.061 -26.557 14.457 1.00 51.00 ? 341 SER A OG 1 ATOM 272 N N . CYS A 1 38 ? 1.978 -27.090 15.718 1.00 53.93 ? 342 CYS A N 1 ATOM 273 C CA . CYS A 1 38 ? 1.529 -27.865 16.863 1.00 54.40 ? 342 CYS A CA 1 ATOM 274 C C . CYS A 1 38 ? 2.177 -29.242 16.876 1.00 57.08 ? 342 CYS A C 1 ATOM 275 O O . CYS A 1 38 ? 2.261 -29.908 15.841 1.00 53.73 ? 342 CYS A O 1 ATOM 276 C CB . CYS A 1 38 ? 0.013 -27.994 16.836 1.00 53.66 ? 342 CYS A CB 1 ATOM 277 S SG . CYS A 1 38 ? -0.814 -26.403 16.847 1.00 62.34 ? 342 CYS A SG 1 ATOM 278 N N . GLN A 1 39 ? 2.636 -29.654 18.055 1.00 59.38 ? 343 GLN A N 1 ATOM 279 C CA . GLN A 1 39 ? 3.292 -30.944 18.231 1.00 58.06 ? 343 GLN A CA 1 ATOM 280 C C . GLN A 1 39 ? 2.725 -31.676 19.437 1.00 62.36 ? 343 GLN A C 1 ATOM 281 O O . GLN A 1 39 ? 2.460 -31.065 20.468 1.00 65.53 ? 343 GLN A O 1 ATOM 282 C CB . GLN A 1 39 ? 4.800 -30.752 18.392 1.00 57.45 ? 343 GLN A CB 1 ATOM 283 C CG . GLN A 1 39 ? 5.518 -30.438 17.086 1.00 64.92 ? 343 GLN A CG 1 ATOM 284 C CD . GLN A 1 39 ? 6.872 -29.777 17.285 1.00 68.95 ? 343 GLN A CD 1 ATOM 285 O OE1 . GLN A 1 39 ? 6.953 -28.582 17.569 1.00 71.25 ? 343 GLN A OE1 1 ATOM 286 N NE2 . GLN A 1 39 ? 7.941 -30.550 17.125 1.00 68.24 ? 343 GLN A NE2 1 ATOM 287 N N . GLU A 1 40 ? 2.533 -32.984 19.297 1.00 66.71 ? 344 GLU A N 1 ATOM 288 C CA . GLU A 1 40 ? 2.029 -33.810 20.388 1.00 73.03 ? 344 GLU A CA 1 ATOM 289 C C . GLU A 1 40 ? 2.851 -33.578 21.643 1.00 72.18 ? 344 GLU A C 1 ATOM 290 O O . GLU A 1 40 ? 4.074 -33.456 21.576 1.00 67.50 ? 344 GLU A O 1 ATOM 291 C CB . GLU A 1 40 ? 2.101 -35.289 20.017 1.00 81.82 ? 344 GLU A CB 1 ATOM 292 C CG . GLU A 1 40 ? 1.271 -35.681 18.816 1.00 92.16 ? 344 GLU A CG 1 ATOM 293 C CD . GLU A 1 40 ? 1.528 -37.112 18.385 1.00 101.49 ? 344 GLU A CD 1 ATOM 294 O OE1 . GLU A 1 40 ? 2.373 -37.783 19.018 1.00 102.84 ? 344 GLU A OE1 1 ATOM 295 O OE2 . GLU A 1 40 ? 0.889 -37.565 17.412 1.00 106.48 ? 344 GLU A OE2 1 ATOM 296 N N . THR A 1 41 ? 2.178 -33.518 22.786 1.00 75.91 ? 345 THR A N 1 ATOM 297 C CA . THR A 1 41 ? 2.865 -33.357 24.059 1.00 81.41 ? 345 THR A CA 1 ATOM 298 C C . THR A 1 41 ? 3.222 -34.707 24.654 1.00 87.39 ? 345 THR A C 1 ATOM 299 O O . THR A 1 41 ? 2.465 -35.671 24.534 1.00 87.19 ? 345 THR A O 1 ATOM 300 C CB . THR A 1 41 ? 2.015 -32.590 25.083 1.00 82.79 ? 345 THR A CB 1 ATOM 301 O OG1 . THR A 1 41 ? 0.663 -33.061 25.028 1.00 84.66 ? 345 THR A OG1 1 ATOM 302 C CG2 . THR A 1 41 ? 2.039 -31.102 24.795 1.00 84.63 ? 345 THR A CG2 1 ATOM 303 N N . ALA A 1 42 ? 4.382 -34.761 25.300 1.00 92.48 ? 346 ALA A N 1 ATOM 304 C CA . ALA A 1 42 ? 4.836 -35.969 25.974 1.00 95.03 ? 346 ALA A CA 1 ATOM 305 C C . ALA A 1 42 ? 4.154 -36.131 27.328 1.00 99.31 ? 346 ALA A C 1 ATOM 306 O O . ALA A 1 42 ? 3.928 -35.156 28.044 1.00 101.78 ? 346 ALA A O 1 ATOM 307 C CB . ALA A 1 42 ? 6.347 -35.941 26.142 1.00 92.57 ? 346 ALA A CB 1 ATOM 308 N N . VAL A 1 43 ? 3.819 -37.369 27.669 1.00 101.47 ? 347 VAL A N 1 ATOM 309 C CA . VAL A 1 43 ? 3.282 -37.663 28.988 1.00 105.15 ? 347 VAL A CA 1 ATOM 310 C C . VAL A 1 43 ? 4.426 -38.099 29.893 1.00 104.48 ? 347 VAL A C 1 ATOM 311 O O . VAL A 1 43 ? 5.130 -39.065 29.593 1.00 104.86 ? 347 VAL A O 1 ATOM 312 C CB . VAL A 1 43 ? 2.227 -38.781 28.938 1.00 106.29 ? 347 VAL A CB 1 ATOM 313 C CG1 . VAL A 1 43 ? 1.402 -38.784 30.219 1.00 103.32 ? 347 VAL A CG1 1 ATOM 314 C CG2 . VAL A 1 43 ? 1.329 -38.610 27.720 1.00 107.57 ? 347 VAL A CG2 1 ATOM 315 N N . THR A 1 44 ? 4.621 -37.376 30.990 1.00 100.93 ? 348 THR A N 1 ATOM 316 C CA . THR A 1 44 ? 5.688 -37.711 31.922 1.00 96.50 ? 348 THR A CA 1 ATOM 317 C C . THR A 1 44 ? 5.493 -39.119 32.471 1.00 88.10 ? 348 THR A C 1 ATOM 318 O O . THR A 1 44 ? 4.454 -39.436 33.051 1.00 82.79 ? 348 THR A O 1 ATOM 319 C CB . THR A 1 44 ? 5.783 -36.696 33.080 1.00 99.12 ? 348 THR A CB 1 ATOM 320 O OG1 . THR A 1 44 ? 6.643 -37.215 34.102 1.00 99.45 ? 348 THR A OG1 1 ATOM 321 C CG2 . THR A 1 44 ? 4.409 -36.423 33.669 1.00 99.88 ? 348 THR A CG2 1 ATOM 322 N N . GLN A 1 45 ? 6.492 -39.970 32.266 1.00 84.52 ? 349 GLN A N 1 ATOM 323 C CA . GLN A 1 45 ? 6.420 -41.333 32.760 1.00 82.58 ? 349 GLN A CA 1 ATOM 324 C C . GLN A 1 45 ? 6.561 -41.337 34.268 1.00 74.54 ? 349 GLN A C 1 ATOM 325 O O . GLN A 1 45 ? 7.419 -40.651 34.820 1.00 77.13 ? 349 GLN A O 1 ATOM 326 C CB . GLN A 1 45 ? 7.533 -42.187 32.168 1.00 87.99 ? 349 GLN A CB 1 ATOM 327 C CG . GLN A 1 45 ? 7.518 -42.312 30.667 1.00 91.68 ? 349 GLN A CG 1 ATOM 328 C CD . GLN A 1 45 ? 8.564 -43.291 30.183 1.00 94.94 ? 349 GLN A CD 1 ATOM 329 O OE1 . GLN A 1 45 ? 8.652 -44.415 30.683 1.00 98.05 ? 349 GLN A OE1 1 ATOM 330 N NE2 . GLN A 1 45 ? 9.372 -42.869 29.216 1.00 92.52 ? 349 GLN A NE2 1 ATOM 331 N N . THR A 1 46 ? 5.717 -42.114 34.933 1.00 61.20 ? 350 THR A N 1 ATOM 332 C CA . THR A 1 46 ? 5.860 -42.310 36.362 1.00 56.76 ? 350 THR A CA 1 ATOM 333 C C . THR A 1 46 ? 6.204 -43.761 36.639 1.00 61.51 ? 350 THR A C 1 ATOM 334 O O . THR A 1 46 ? 5.748 -44.662 35.935 1.00 65.44 ? 350 THR A O 1 ATOM 335 C CB . THR A 1 46 ? 4.585 -41.944 37.129 1.00 52.93 ? 350 THR A CB 1 ATOM 336 O OG1 . THR A 1 46 ? 3.460 -42.568 36.505 1.00 53.65 ? 350 THR A OG1 1 ATOM 337 C CG2 . THR A 1 46 ? 4.383 -40.443 37.145 1.00 46.82 ? 350 THR A CG2 1 ATOM 338 N N . TYR A 1 47 ? 7.014 -43.982 37.667 1.00 58.31 ? 351 TYR A N 1 ATOM 339 C CA . TYR A 1 47 ? 7.427 -45.324 38.032 1.00 54.27 ? 351 TYR A CA 1 ATOM 340 C C . TYR A 1 47 ? 7.706 -45.391 39.524 1.00 52.93 ? 351 TYR A C 1 ATOM 341 O O . TYR A 1 47 ? 8.009 -44.376 40.148 1.00 52.63 ? 351 TYR A O 1 ATOM 342 C CB . TYR A 1 47 ? 8.671 -45.726 37.244 1.00 52.67 ? 351 TYR A CB 1 ATOM 343 C CG . TYR A 1 47 ? 9.912 -44.941 37.605 1.00 53.50 ? 351 TYR A CG 1 ATOM 344 C CD1 . TYR A 1 47 ? 10.783 -45.395 38.586 1.00 55.07 ? 351 TYR A CD1 1 ATOM 345 C CD2 . TYR A 1 47 ? 10.214 -43.748 36.968 1.00 55.09 ? 351 TYR A CD2 1 ATOM 346 C CE1 . TYR A 1 47 ? 11.922 -44.686 38.921 1.00 57.27 ? 351 TYR A CE1 1 ATOM 347 C CE2 . TYR A 1 47 ? 11.352 -43.031 37.296 1.00 60.01 ? 351 TYR A CE2 1 ATOM 348 C CZ . TYR A 1 47 ? 12.204 -43.506 38.273 1.00 60.90 ? 351 TYR A CZ 1 ATOM 349 O OH . TYR A 1 47 ? 13.336 -42.796 38.606 1.00 62.95 ? 351 TYR A OH 1 ATOM 350 N N . GLY A 1 48 ? 7.591 -46.587 40.093 1.00 52.96 ? 352 GLY A N 1 ATOM 351 C CA . GLY A 1 48 ? 7.894 -46.804 41.494 1.00 55.50 ? 352 GLY A CA 1 ATOM 352 C C . GLY A 1 48 ? 7.060 -45.968 42.445 1.00 61.12 ? 352 GLY A C 1 ATOM 353 O O . GLY A 1 48 ? 5.881 -45.710 42.199 1.00 59.33 ? 352 GLY A O 1 ATOM 354 N N . GLY A 1 49 ? 7.680 -45.539 43.541 1.00 65.48 ? 353 GLY A N 1 ATOM 355 C CA . GLY A 1 49 ? 6.988 -44.773 44.564 1.00 69.39 ? 353 GLY A CA 1 ATOM 356 C C . GLY A 1 49 ? 6.014 -45.633 45.349 1.00 70.02 ? 353 GLY A C 1 ATOM 357 O O . GLY A 1 49 ? 5.905 -46.836 45.104 1.00 70.37 ? 353 GLY A O 1 ATOM 358 N N . ASN A 1 50 ? 5.308 -45.027 46.298 1.00 66.67 ? 354 ASN A N 1 ATOM 359 C CA . ASN A 1 50 ? 4.297 -45.759 47.049 1.00 63.58 ? 354 ASN A CA 1 ATOM 360 C C . ASN A 1 50 ? 2.983 -45.862 46.277 1.00 66.44 ? 354 ASN A C 1 ATOM 361 O O . ASN A 1 50 ? 2.029 -46.482 46.742 1.00 68.36 ? 354 ASN A O 1 ATOM 362 C CB . ASN A 1 50 ? 4.081 -45.151 48.439 1.00 57.86 ? 354 ASN A CB 1 ATOM 363 C CG . ASN A 1 50 ? 3.608 -43.712 48.386 1.00 57.72 ? 354 ASN A CG 1 ATOM 364 O OD1 . ASN A 1 50 ? 3.156 -43.236 47.347 1.00 59.36 ? 354 ASN A OD1 1 ATOM 365 N ND2 . ASN A 1 50 ? 3.701 -43.013 49.513 1.00 54.35 ? 354 ASN A ND2 1 ATOM 366 N N . SER A 1 51 ? 2.946 -45.253 45.094 1.00 67.24 ? 355 SER A N 1 ATOM 367 C CA . SER A 1 51 ? 1.795 -45.350 44.206 1.00 70.04 ? 355 SER A CA 1 ATOM 368 C C . SER A 1 51 ? 2.007 -46.476 43.215 1.00 72.73 ? 355 SER A C 1 ATOM 369 O O . SER A 1 51 ? 1.056 -47.023 42.657 1.00 69.06 ? 355 SER A O 1 ATOM 370 C CB . SER A 1 51 ? 1.608 -44.049 43.429 1.00 75.10 ? 355 SER A CB 1 ATOM 371 O OG . SER A 1 51 ? 1.377 -42.952 44.293 1.00 82.58 ? 355 SER A OG 1 ATOM 372 N N . ASN A 1 52 ? 3.272 -46.806 42.989 1.00 81.32 ? 356 ASN A N 1 ATOM 373 C CA . ASN A 1 52 ? 3.639 -47.801 41.994 1.00 86.98 ? 356 ASN A CA 1 ATOM 374 C C . ASN A 1 52 ? 3.189 -47.399 40.597 1.00 89.91 ? 356 ASN A C 1 ATOM 375 O O . ASN A 1 52 ? 2.444 -48.125 39.940 1.00 94.18 ? 356 ASN A O 1 ATOM 376 C CB . ASN A 1 52 ? 3.087 -49.175 42.368 1.00 89.32 ? 356 ASN A CB 1 ATOM 377 C CG . ASN A 1 52 ? 3.711 -49.718 43.632 1.00 97.15 ? 356 ASN A CG 1 ATOM 378 O OD1 . ASN A 1 52 ? 4.897 -49.504 43.888 1.00 97.07 ? 356 ASN A OD1 1 ATOM 379 N ND2 . ASN A 1 52 ? 2.917 -50.420 44.436 1.00 102.80 ? 356 ASN A ND2 1 ATOM 380 N N . GLY A 1 53 ? 3.633 -46.226 40.160 1.00 86.21 ? 357 GLY A N 1 ATOM 381 C CA . GLY A 1 53 ? 3.453 -45.809 38.784 1.00 84.96 ? 357 GLY A CA 1 ATOM 382 C C . GLY A 1 53 ? 2.227 -44.969 38.492 1.00 83.21 ? 357 GLY A C 1 ATOM 383 O O . GLY A 1 53 ? 1.974 -44.642 37.333 1.00 86.26 ? 357 GLY A O 1 ATOM 384 N N . GLU A 1 54 ? 1.466 -44.621 39.526 1.00 77.91 ? 358 GLU A N 1 ATOM 385 C CA . GLU A 1 54 ? 0.291 -43.766 39.354 1.00 75.08 ? 358 GLU A CA 1 ATOM 386 C C . GLU A 1 54 ? 0.669 -42.422 38.742 1.00 72.39 ? 358 GLU A C 1 ATOM 387 O O . GLU A 1 54 ? 1.631 -41.788 39.174 1.00 71.94 ? 358 GLU A O 1 ATOM 388 C CB . GLU A 1 54 ? -0.419 -43.536 40.688 1.00 82.51 ? 358 GLU A CB 1 ATOM 389 C CG . GLU A 1 54 ? -1.048 -44.780 41.286 1.00 92.60 ? 358 GLU A CG 1 ATOM 390 C CD . GLU A 1 54 ? -2.155 -45.351 40.421 1.00 100.03 ? 358 GLU A CD 1 ATOM 391 O OE1 . GLU A 1 54 ? -2.898 -44.560 39.800 1.00 104.15 ? 358 GLU A OE1 1 ATOM 392 O OE2 . GLU A 1 54 ? -2.287 -46.593 40.368 1.00 100.56 ? 358 GLU A OE2 1 ATOM 393 N N . PRO A 1 55 ? -0.100 -41.976 37.738 1.00 69.58 ? 359 PRO A N 1 ATOM 394 C CA . PRO A 1 55 ? 0.207 -40.745 37.002 1.00 64.47 ? 359 PRO A CA 1 ATOM 395 C C . PRO A 1 55 ? 0.187 -39.517 37.894 1.00 62.17 ? 359 PRO A C 1 ATOM 396 O O . PRO A 1 55 ? -0.520 -39.490 38.900 1.00 66.47 ? 359 PRO A O 1 ATOM 397 C CB . PRO A 1 55 ? -0.920 -40.661 35.971 1.00 59.89 ? 359 PRO A CB 1 ATOM 398 C CG . PRO A 1 55 ? -2.024 -41.485 36.542 1.00 62.90 ? 359 PRO A CG 1 ATOM 399 C CD . PRO A 1 55 ? -1.344 -42.604 37.265 1.00 66.74 ? 359 PRO A CD 1 ATOM 400 N N . CYS A 1 56 ? 0.962 -38.508 37.514 1.00 60.94 ? 360 CYS A N 1 ATOM 401 C CA . CYS A 1 56 ? 1.062 -37.283 38.295 1.00 63.08 ? 360 CYS A CA 1 ATOM 402 C C . CYS A 1 56 ? -0.285 -36.580 38.440 1.00 65.62 ? 360 CYS A C 1 ATOM 403 O O . CYS A 1 56 ? -1.199 -36.778 37.637 1.00 71.88 ? 360 CYS A O 1 ATOM 404 C CB . CYS A 1 56 ? 2.081 -36.334 37.664 1.00 60.34 ? 360 CYS A CB 1 ATOM 405 S SG . CYS A 1 56 ? 3.794 -36.869 37.881 1.00 115.19 ? 360 CYS A SG 1 ATOM 406 N N . VAL A 1 57 ? -0.412 -35.779 39.488 1.00 59.22 ? 361 VAL A N 1 ATOM 407 C CA . VAL A 1 57 ? -1.551 -34.890 39.614 1.00 56.32 ? 361 VAL A CA 1 ATOM 408 C C . VAL A 1 57 ? -1.025 -33.472 39.756 1.00 58.47 ? 361 VAL A C 1 ATOM 409 O O . VAL A 1 57 ? -0.527 -33.083 40.817 1.00 58.99 ? 361 VAL A O 1 ATOM 410 C CB . VAL A 1 57 ? -2.456 -35.255 40.801 1.00 50.16 ? 361 VAL A CB 1 ATOM 411 C CG1 . VAL A 1 57 ? -3.380 -34.099 41.138 1.00 47.59 ? 361 VAL A CG1 1 ATOM 412 C CG2 . VAL A 1 57 ? -3.259 -36.499 40.479 1.00 46.90 ? 361 VAL A CG2 1 ATOM 413 N N . LEU A 1 58 ? -1.123 -32.715 38.668 1.00 57.57 ? 362 LEU A N 1 ATOM 414 C CA . LEU A 1 58 ? -0.573 -31.370 38.610 1.00 53.53 ? 362 LEU A CA 1 ATOM 415 C C . LEU A 1 58 ? -1.677 -30.334 38.447 1.00 60.16 ? 362 LEU A C 1 ATOM 416 O O . LEU A 1 58 ? -2.627 -30.552 37.700 1.00 66.36 ? 362 LEU A O 1 ATOM 417 C CB . LEU A 1 58 ? 0.425 -31.258 37.457 1.00 45.18 ? 362 LEU A CB 1 ATOM 418 C CG . LEU A 1 58 ? 1.656 -32.166 37.499 1.00 47.24 ? 362 LEU A CG 1 ATOM 419 C CD1 . LEU A 1 58 ? 2.450 -32.032 36.217 1.00 44.73 ? 362 LEU A CD1 1 ATOM 420 C CD2 . LEU A 1 58 ? 2.528 -31.846 38.700 1.00 52.56 ? 362 LEU A CD2 1 ATOM 421 N N . PRO A 1 59 ? -1.564 -29.209 39.168 1.00 61.87 ? 363 PRO A N 1 ATOM 422 C CA . PRO A 1 59 ? -0.500 -29.001 40.152 1.00 59.88 ? 363 PRO A CA 1 ATOM 423 C C . PRO A 1 59 ? -0.837 -29.726 41.438 1.00 57.47 ? 363 PRO A C 1 ATOM 424 O O . PRO A 1 59 ? -1.951 -30.229 41.587 1.00 61.15 ? 363 PRO A O 1 ATOM 425 C CB . PRO A 1 59 ? -0.528 -27.485 40.401 1.00 60.90 ? 363 PRO A CB 1 ATOM 426 C CG . PRO A 1 59 ? -1.582 -26.923 39.482 1.00 62.65 ? 363 PRO A CG 1 ATOM 427 C CD . PRO A 1 59 ? -2.471 -28.054 39.094 1.00 63.43 ? 363 PRO A CD 1 ATOM 428 N N . PHE A 1 60 ? 0.120 -29.781 42.352 1.00 53.56 ? 364 PHE A N 1 ATOM 429 C CA . PHE A 1 60 ? -0.115 -30.369 43.656 1.00 55.33 ? 364 PHE A CA 1 ATOM 430 C C . PHE A 1 60 ? 0.632 -29.542 44.687 1.00 58.79 ? 364 PHE A C 1 ATOM 431 O O . PHE A 1 60 ? 1.538 -28.786 44.342 1.00 56.34 ? 364 PHE A O 1 ATOM 432 C CB . PHE A 1 60 ? 0.356 -31.822 43.682 1.00 55.05 ? 364 PHE A CB 1 ATOM 433 C CG . PHE A 1 60 ? 1.835 -31.983 43.466 1.00 56.88 ? 364 PHE A CG 1 ATOM 434 C CD1 . PHE A 1 60 ? 2.697 -32.094 44.544 1.00 55.05 ? 364 PHE A CD1 1 ATOM 435 C CD2 . PHE A 1 60 ? 2.363 -32.016 42.186 1.00 58.42 ? 364 PHE A CD2 1 ATOM 436 C CE1 . PHE A 1 60 ? 4.058 -32.240 44.352 1.00 52.35 ? 364 PHE A CE1 1 ATOM 437 C CE2 . PHE A 1 60 ? 3.723 -32.161 41.990 1.00 57.86 ? 364 PHE A CE2 1 ATOM 438 C CZ . PHE A 1 60 ? 4.570 -32.274 43.075 1.00 55.69 ? 364 PHE A CZ 1 ATOM 439 N N . THR A 1 61 ? 0.247 -29.673 45.950 1.00 62.67 ? 365 THR A N 1 ATOM 440 C CA . THR A 1 61 ? 0.915 -28.938 47.013 1.00 63.27 ? 365 THR A CA 1 ATOM 441 C C . THR A 1 61 ? 1.724 -29.863 47.911 1.00 66.37 ? 365 THR A C 1 ATOM 442 O O . THR A 1 61 ? 1.261 -30.928 48.319 1.00 67.12 ? 365 THR A O 1 ATOM 443 C CB . THR A 1 61 ? -0.079 -28.141 47.880 1.00 62.18 ? 365 THR A CB 1 ATOM 444 O OG1 . THR A 1 61 ? -0.913 -29.045 48.617 1.00 66.21 ? 365 THR A OG1 1 ATOM 445 C CG2 . THR A 1 61 ? -0.942 -27.240 47.016 1.00 58.69 ? 365 THR A CG2 1 ATOM 446 N N . TYR A 1 62 ? 2.948 -29.443 48.199 1.00 66.77 ? 366 TYR A N 1 ATOM 447 C CA . TYR A 1 62 ? 3.793 -30.117 49.167 1.00 67.49 ? 366 TYR A CA 1 ATOM 448 C C . TYR A 1 62 ? 4.561 -29.051 49.928 1.00 68.77 ? 366 TYR A C 1 ATOM 449 O O . TYR A 1 62 ? 5.000 -28.062 49.343 1.00 64.90 ? 366 TYR A O 1 ATOM 450 C CB . TYR A 1 62 ? 4.759 -31.087 48.477 1.00 68.68 ? 366 TYR A CB 1 ATOM 451 C CG . TYR A 1 62 ? 5.986 -31.408 49.305 1.00 70.27 ? 366 TYR A CG 1 ATOM 452 C CD1 . TYR A 1 62 ? 5.905 -32.243 50.415 1.00 72.82 ? 366 TYR A CD1 1 ATOM 453 C CD2 . TYR A 1 62 ? 7.224 -30.869 48.983 1.00 70.48 ? 366 TYR A CD2 1 ATOM 454 C CE1 . TYR A 1 62 ? 7.024 -32.532 51.181 1.00 73.77 ? 366 TYR A CE1 1 ATOM 455 C CE2 . TYR A 1 62 ? 8.349 -31.152 49.742 1.00 73.85 ? 366 TYR A CE2 1 ATOM 456 C CZ . TYR A 1 62 ? 8.244 -31.985 50.840 1.00 73.48 ? 366 TYR A CZ 1 ATOM 457 O OH . TYR A 1 62 ? 9.360 -32.268 51.595 1.00 71.67 ? 366 TYR A OH 1 ATOM 458 N N . ASN A 1 63 ? 4.709 -29.242 51.234 1.00 74.67 ? 367 ASN A N 1 ATOM 459 C CA . ASN A 1 63 ? 5.456 -28.302 52.056 1.00 76.49 ? 367 ASN A CA 1 ATOM 460 C C . ASN A 1 63 ? 4.925 -26.879 51.920 1.00 73.30 ? 367 ASN A C 1 ATOM 461 O O . ASN A 1 63 ? 5.695 -25.916 51.919 1.00 65.90 ? 367 ASN A O 1 ATOM 462 C CB . ASN A 1 63 ? 6.936 -28.337 51.684 1.00 82.40 ? 367 ASN A CB 1 ATOM 463 C CG . ASN A 1 63 ? 7.840 -28.157 52.882 1.00 88.04 ? 367 ASN A CG 1 ATOM 464 O OD1 . ASN A 1 63 ? 8.721 -27.293 52.891 1.00 90.78 ? 367 ASN A OD1 1 ATOM 465 N ND2 . ASN A 1 63 ? 7.626 -28.975 53.907 1.00 86.96 ? 367 ASN A ND2 1 ATOM 466 N N . GLY A 1 64 ? 3.606 -26.756 51.792 1.00 77.00 ? 368 GLY A N 1 ATOM 467 C CA . GLY A 1 64 ? 2.962 -25.458 51.720 1.00 80.83 ? 368 GLY A CA 1 ATOM 468 C C . GLY A 1 64 ? 3.297 -24.684 50.461 1.00 83.79 ? 368 GLY A C 1 ATOM 469 O O . GLY A 1 64 ? 3.194 -23.459 50.429 1.00 83.66 ? 368 GLY A O 1 ATOM 470 N N . ARG A 1 65 ? 3.705 -25.403 49.421 1.00 85.13 ? 369 ARG A N 1 ATOM 471 C CA . ARG A 1 65 ? 3.998 -24.791 48.132 1.00 83.58 ? 369 ARG A CA 1 ATOM 472 C C . ARG A 1 65 ? 3.294 -25.553 47.020 1.00 75.10 ? 369 ARG A C 1 ATOM 473 O O . ARG A 1 65 ? 2.885 -26.695 47.204 1.00 75.12 ? 369 ARG A O 1 ATOM 474 C CB . ARG A 1 65 ? 5.506 -24.745 47.887 1.00 93.07 ? 369 ARG A CB 1 ATOM 475 C CG . ARG A 1 65 ? 6.204 -23.606 48.613 1.00 105.48 ? 369 ARG A CG 1 ATOM 476 C CD . ARG A 1 65 ? 7.720 -23.747 48.570 1.00 116.60 ? 369 ARG A CD 1 ATOM 477 N NE . ARG A 1 65 ? 8.207 -24.734 49.531 1.00 124.17 ? 369 ARG A NE 1 ATOM 478 C CZ . ARG A 1 65 ? 9.492 -24.986 49.761 1.00 126.59 ? 369 ARG A CZ 1 ATOM 479 N NH1 . ARG A 1 65 ? 10.430 -24.323 49.098 1.00 125.81 ? 369 ARG A NH1 1 ATOM 480 N NH2 . ARG A 1 65 ? 9.839 -25.902 50.657 1.00 127.78 ? 369 ARG A NH2 1 ATOM 481 N N . THR A 1 66 ? 3.149 -24.914 45.868 1.00 69.96 ? 370 THR A N 1 ATOM 482 C CA . THR A 1 66 ? 2.467 -25.532 44.738 1.00 68.00 ? 370 THR A CA 1 ATOM 483 C C . THR A 1 66 ? 3.440 -25.908 43.619 1.00 65.10 ? 370 THR A C 1 ATOM 484 O O . THR A 1 66 ? 4.214 -25.077 43.148 1.00 66.45 ? 370 THR A O 1 ATOM 485 C CB . THR A 1 66 ? 1.363 -24.611 44.191 1.00 66.82 ? 370 THR A CB 1 ATOM 486 O OG1 . THR A 1 66 ? 0.321 -24.490 45.167 1.00 66.34 ? 370 THR A OG1 1 ATOM 487 C CG2 . THR A 1 66 ? 0.782 -25.171 42.904 1.00 65.32 ? 370 THR A CG2 1 ATOM 488 N N . PHE A 1 67 ? 3.392 -27.166 43.198 1.00 61.35 ? 371 PHE A N 1 ATOM 489 C CA . PHE A 1 67 ? 4.290 -27.656 42.161 1.00 60.69 ? 371 PHE A CA 1 ATOM 490 C C . PHE A 1 67 ? 3.553 -27.980 40.870 1.00 64.53 ? 371 PHE A C 1 ATOM 491 O O . PHE A 1 67 ? 2.534 -28.668 40.876 1.00 68.16 ? 371 PHE A O 1 ATOM 492 C CB . PHE A 1 67 ? 5.064 -28.871 42.661 1.00 54.57 ? 371 PHE A CB 1 ATOM 493 C CG . PHE A 1 67 ? 5.960 -28.565 43.809 1.00 49.67 ? 371 PHE A CG 1 ATOM 494 C CD1 . PHE A 1 67 ? 7.235 -28.085 43.594 1.00 44.02 ? 371 PHE A CD1 1 ATOM 495 C CD2 . PHE A 1 67 ? 5.519 -28.723 45.105 1.00 57.07 ? 371 PHE A CD2 1 ATOM 496 C CE1 . PHE A 1 67 ? 8.064 -27.787 44.643 1.00 44.27 ? 371 PHE A CE1 1 ATOM 497 C CE2 . PHE A 1 67 ? 6.345 -28.426 46.168 1.00 57.97 ? 371 PHE A CE2 1 ATOM 498 C CZ . PHE A 1 67 ? 7.622 -27.956 45.934 1.00 52.74 ? 371 PHE A CZ 1 ATOM 499 N N . TYR A 1 68 ? 4.093 -27.482 39.764 1.00 62.32 ? 372 TYR A N 1 ATOM 500 C CA . TYR A 1 68 ? 3.438 -27.581 38.470 1.00 58.62 ? 372 TYR A CA 1 ATOM 501 C C . TYR A 1 68 ? 4.050 -28.691 37.616 1.00 61.89 ? 372 TYR A C 1 ATOM 502 O O . TYR A 1 68 ? 3.658 -28.895 36.469 1.00 67.28 ? 372 TYR A O 1 ATOM 503 C CB . TYR A 1 68 ? 3.523 -26.237 37.746 1.00 55.20 ? 372 TYR A CB 1 ATOM 504 C CG . TYR A 1 68 ? 3.112 -25.057 38.602 1.00 52.77 ? 372 TYR A CG 1 ATOM 505 C CD1 . TYR A 1 68 ? 1.780 -24.686 38.709 1.00 56.07 ? 372 TYR A CD1 1 ATOM 506 C CD2 . TYR A 1 68 ? 4.057 -24.315 39.301 1.00 50.22 ? 372 TYR A CD2 1 ATOM 507 C CE1 . TYR A 1 68 ? 1.396 -23.611 39.492 1.00 63.24 ? 372 TYR A CE1 1 ATOM 508 C CE2 . TYR A 1 68 ? 3.687 -23.237 40.088 1.00 55.49 ? 372 TYR A CE2 1 ATOM 509 C CZ . TYR A 1 68 ? 2.351 -22.887 40.183 1.00 64.93 ? 372 TYR A CZ 1 ATOM 510 O OH . TYR A 1 68 ? 1.956 -21.813 40.962 1.00 66.81 ? 372 TYR A OH 1 ATOM 511 N N . SER A 1 69 ? 5.016 -29.403 38.182 1.00 59.01 ? 373 SER A N 1 ATOM 512 C CA . SER A 1 69 ? 5.640 -30.530 37.503 1.00 55.77 ? 373 SER A CA 1 ATOM 513 C C . SER A 1 69 ? 6.444 -31.309 38.535 1.00 52.18 ? 373 SER A C 1 ATOM 514 O O . SER A 1 69 ? 6.467 -30.940 39.707 1.00 56.35 ? 373 SER A O 1 ATOM 515 C CB . SER A 1 69 ? 6.542 -30.040 36.370 1.00 56.97 ? 373 SER A CB 1 ATOM 516 O OG . SER A 1 69 ? 7.686 -29.377 36.883 1.00 58.05 ? 373 SER A OG 1 ATOM 517 N N . CYS A 1 70 ? 7.105 -32.381 38.114 1.00 44.56 ? 374 CYS A N 1 ATOM 518 C CA . CYS A 1 70 ? 7.899 -33.171 39.045 1.00 45.41 ? 374 CYS A CA 1 ATOM 519 C C . CYS A 1 70 ? 8.989 -32.319 39.685 1.00 50.70 ? 374 CYS A C 1 ATOM 520 O O . CYS A 1 70 ? 9.414 -31.307 39.125 1.00 50.64 ? 374 CYS A O 1 ATOM 521 C CB . CYS A 1 70 ? 8.526 -34.361 38.336 1.00 43.94 ? 374 CYS A CB 1 ATOM 522 S SG . CYS A 1 70 ? 7.328 -35.425 37.546 1.00 67.72 ? 374 CYS A SG 1 ATOM 523 N N . THR A 1 71 ? 9.430 -32.726 40.869 1.00 54.79 ? 375 THR A N 1 ATOM 524 C CA . THR A 1 71 ? 10.491 -32.006 41.552 1.00 58.84 ? 375 THR A CA 1 ATOM 525 C C . THR A 1 71 ? 11.532 -32.925 42.157 1.00 58.45 ? 375 THR A C 1 ATOM 526 O O . THR A 1 71 ? 11.326 -34.132 42.297 1.00 53.68 ? 375 THR A O 1 ATOM 527 C CB . THR A 1 71 ? 9.949 -31.098 42.668 1.00 64.70 ? 375 THR A CB 1 ATOM 528 O OG1 . THR A 1 71 ? 9.189 -31.878 43.596 1.00 69.44 ? 375 THR A OG1 1 ATOM 529 C CG2 . THR A 1 71 ? 9.066 -30.030 42.088 1.00 69.86 ? 375 THR A CG2 1 ATOM 530 N N . THR A 1 72 ? 12.662 -32.321 42.502 1.00 60.87 ? 376 THR A N 1 ATOM 531 C CA . THR A 1 72 ? 13.721 -32.991 43.230 1.00 59.75 ? 376 THR A CA 1 ATOM 532 C C . THR A 1 72 ? 13.692 -32.426 44.638 1.00 57.53 ? 376 THR A C 1 ATOM 533 O O . THR A 1 72 ? 14.523 -32.765 45.479 1.00 55.37 ? 376 THR A O 1 ATOM 534 C CB . THR A 1 72 ? 15.088 -32.684 42.609 1.00 57.74 ? 376 THR A CB 1 ATOM 535 O OG1 . THR A 1 72 ? 15.377 -31.289 42.766 1.00 58.49 ? 376 THR A OG1 1 ATOM 536 C CG2 . THR A 1 72 ? 15.090 -33.024 41.132 1.00 52.91 ? 376 THR A CG2 1 ATOM 537 N N . GLU A 1 73 ? 12.727 -31.545 44.873 1.00 57.59 ? 377 GLU A N 1 ATOM 538 C CA . GLU A 1 73 ? 12.570 -30.888 46.160 1.00 64.84 ? 377 GLU A CA 1 ATOM 539 C C . GLU A 1 73 ? 12.392 -31.918 47.267 1.00 68.44 ? 377 GLU A C 1 ATOM 540 O O . GLU A 1 73 ? 11.510 -32.772 47.193 1.00 71.66 ? 377 GLU A O 1 ATOM 541 C CB . GLU A 1 73 ? 11.362 -29.954 46.121 1.00 71.27 ? 377 GLU A CB 1 ATOM 542 C CG . GLU A 1 73 ? 11.169 -29.124 47.381 1.00 77.98 ? 377 GLU A CG 1 ATOM 543 C CD . GLU A 1 73 ? 12.125 -27.948 47.455 1.00 84.46 ? 377 GLU A CD 1 ATOM 544 O OE1 . GLU A 1 73 ? 12.725 -27.596 46.415 1.00 84.37 ? 377 GLU A OE1 1 ATOM 545 O OE2 . GLU A 1 73 ? 12.270 -27.371 48.554 1.00 87.35 ? 377 GLU A OE2 1 ATOM 546 N N . GLY A 1 74 ? 13.232 -31.837 48.292 1.00 65.68 ? 378 GLY A N 1 ATOM 547 C CA . GLY A 1 74 ? 13.142 -32.753 49.411 1.00 63.78 ? 378 GLY A CA 1 ATOM 548 C C . GLY A 1 74 ? 13.904 -34.044 49.188 1.00 65.51 ? 378 GLY A C 1 ATOM 549 O O . GLY A 1 74 ? 14.088 -34.829 50.110 1.00 71.36 ? 378 GLY A O 1 ATOM 550 N N . ARG A 1 75 ? 14.350 -34.271 47.961 1.00 63.44 ? 379 ARG A N 1 ATOM 551 C CA . ARG A 1 75 ? 15.141 -35.453 47.653 1.00 63.61 ? 379 ARG A CA 1 ATOM 552 C C . ARG A 1 75 ? 16.624 -35.161 47.785 1.00 67.54 ? 379 ARG A C 1 ATOM 553 O O . ARG A 1 75 ? 17.119 -34.151 47.282 1.00 71.25 ? 379 ARG A O 1 ATOM 554 C CB . ARG A 1 75 ? 14.846 -35.948 46.240 1.00 64.72 ? 379 ARG A CB 1 ATOM 555 C CG . ARG A 1 75 ? 13.460 -36.529 46.069 1.00 62.76 ? 379 ARG A CG 1 ATOM 556 C CD . ARG A 1 75 ? 13.283 -37.801 46.871 1.00 56.54 ? 379 ARG A CD 1 ATOM 557 N NE . ARG A 1 75 ? 14.095 -38.902 46.364 1.00 51.64 ? 379 ARG A NE 1 ATOM 558 C CZ . ARG A 1 75 ? 13.984 -40.156 46.787 1.00 50.90 ? 379 ARG A CZ 1 ATOM 559 N NH1 . ARG A 1 75 ? 13.091 -40.464 47.717 1.00 52.23 ? 379 ARG A NH1 1 ATOM 560 N NH2 . ARG A 1 75 ? 14.759 -41.105 46.281 1.00 50.21 ? 379 ARG A NH2 1 ATOM 561 N N . GLN A 1 76 ? 17.334 -36.055 48.457 1.00 69.05 ? 380 GLN A N 1 ATOM 562 C CA . GLN A 1 76 ? 18.770 -35.912 48.615 1.00 68.98 ? 380 GLN A CA 1 ATOM 563 C C . GLN A 1 76 ? 19.497 -36.436 47.380 1.00 64.27 ? 380 GLN A C 1 ATOM 564 O O . GLN A 1 76 ? 20.558 -35.934 47.017 1.00 64.04 ? 380 GLN A O 1 ATOM 565 C CB . GLN A 1 76 ? 19.230 -36.644 49.873 1.00 74.97 ? 380 GLN A CB 1 ATOM 566 C CG . GLN A 1 76 ? 18.488 -36.195 51.123 1.00 81.46 ? 380 GLN A CG 1 ATOM 567 C CD . GLN A 1 76 ? 18.571 -37.202 52.255 1.00 89.90 ? 380 GLN A CD 1 ATOM 568 O OE1 . GLN A 1 76 ? 19.523 -37.981 52.344 1.00 94.51 ? 380 GLN A OE1 1 ATOM 569 N NE2 . GLN A 1 76 ? 17.572 -37.187 53.133 1.00 90.75 ? 380 GLN A NE2 1 ATOM 570 N N . ASP A 1 77 ? 18.911 -37.436 46.727 1.00 57.44 ? 381 ASP A N 1 ATOM 571 C CA . ASP A 1 77 ? 19.534 -38.063 45.568 1.00 55.11 ? 381 ASP A CA 1 ATOM 572 C C . ASP A 1 77 ? 19.074 -37.456 44.245 1.00 58.46 ? 381 ASP A C 1 ATOM 573 O O . ASP A 1 77 ? 19.417 -37.952 43.168 1.00 54.45 ? 381 ASP A O 1 ATOM 574 C CB . ASP A 1 77 ? 19.294 -39.574 45.578 1.00 55.21 ? 381 ASP A CB 1 ATOM 575 C CG . ASP A 1 77 ? 17.825 -39.935 45.648 1.00 56.97 ? 381 ASP A CG 1 ATOM 576 O OD1 . ASP A 1 77 ? 16.981 -39.015 45.570 1.00 56.62 ? 381 ASP A OD1 1 ATOM 577 O OD2 . ASP A 1 77 ? 17.521 -41.142 45.780 1.00 54.53 ? 381 ASP A OD2 1 ATOM 578 N N . GLY A 1 78 ? 18.291 -36.386 44.335 1.00 63.20 ? 382 GLY A N 1 ATOM 579 C CA . GLY A 1 78 ? 17.915 -35.613 43.166 1.00 63.44 ? 382 GLY A CA 1 ATOM 580 C C . GLY A 1 78 ? 16.969 -36.308 42.208 1.00 64.41 ? 382 GLY A C 1 ATOM 581 O O . GLY A 1 78 ? 16.900 -35.960 41.029 1.00 64.17 ? 382 GLY A O 1 ATOM 582 N N . HIS A 1 79 ? 16.238 -37.296 42.704 1.00 66.15 ? 383 HIS A N 1 ATOM 583 C CA . HIS A 1 79 ? 15.208 -37.927 41.898 1.00 63.07 ? 383 HIS A CA 1 ATOM 584 C C . HIS A 1 79 ? 14.071 -36.942 41.653 1.00 63.08 ? 383 HIS A C 1 ATOM 585 O O . HIS A 1 79 ? 13.820 -36.051 42.468 1.00 60.69 ? 383 HIS A O 1 ATOM 586 C CB . HIS A 1 79 ? 14.669 -39.171 42.595 1.00 59.83 ? 383 HIS A CB 1 ATOM 587 C CG . HIS A 1 79 ? 15.210 -40.454 42.048 1.00 59.35 ? 383 HIS A CG 1 ATOM 588 N ND1 . HIS A 1 79 ? 16.286 -41.105 42.607 1.00 59.04 ? 383 HIS A ND1 1 ATOM 589 C CD2 . HIS A 1 79 ? 14.817 -41.208 40.995 1.00 60.97 ? 383 HIS A CD2 1 ATOM 590 C CE1 . HIS A 1 79 ? 16.535 -42.209 41.923 1.00 59.77 ? 383 HIS A CE1 1 ATOM 591 N NE2 . HIS A 1 79 ? 15.658 -42.294 40.940 1.00 61.21 ? 383 HIS A NE2 1 ATOM 592 N N . LEU A 1 80 ? 13.395 -37.097 40.521 1.00 61.89 ? 384 LEU A N 1 ATOM 593 C CA . LEU A 1 80 ? 12.193 -36.325 40.253 1.00 60.85 ? 384 LEU A CA 1 ATOM 594 C C . LEU A 1 80 ? 10.983 -37.092 40.753 1.00 60.30 ? 384 LEU A C 1 ATOM 595 O O . LEU A 1 80 ? 10.900 -38.311 40.586 1.00 62.57 ? 384 LEU A O 1 ATOM 596 C CB . LEU A 1 80 ? 12.047 -36.044 38.760 1.00 61.31 ? 384 LEU A CB 1 ATOM 597 C CG . LEU A 1 80 ? 12.942 -34.960 38.163 1.00 59.65 ? 384 LEU A CG 1 ATOM 598 C CD1 . LEU A 1 80 ? 12.748 -34.914 36.662 1.00 59.19 ? 384 LEU A CD1 1 ATOM 599 C CD2 . LEU A 1 80 ? 12.638 -33.610 38.788 1.00 59.78 ? 384 LEU A CD2 1 ATOM 600 N N . TRP A 1 81 ? 10.049 -36.381 41.374 1.00 58.01 ? 385 TRP A N 1 ATOM 601 C CA . TRP A 1 81 ? 8.825 -37.009 41.856 1.00 56.88 ? 385 TRP A CA 1 ATOM 602 C C . TRP A 1 81 ? 7.643 -36.059 41.804 1.00 61.54 ? 385 TRP A C 1 ATOM 603 O O . TRP A 1 81 ? 7.803 -34.857 41.598 1.00 66.82 ? 385 TRP A O 1 ATOM 604 C CB . TRP A 1 81 ? 8.998 -37.521 43.282 1.00 52.09 ? 385 TRP A CB 1 ATOM 605 C CG . TRP A 1 81 ? 9.252 -36.438 44.280 1.00 46.69 ? 385 TRP A CG 1 ATOM 606 C CD1 . TRP A 1 81 ? 10.456 -35.885 44.593 1.00 45.59 ? 385 TRP A CD1 1 ATOM 607 C CD2 . TRP A 1 81 ? 8.281 -35.776 45.102 1.00 50.17 ? 385 TRP A CD2 1 ATOM 608 N NE1 . TRP A 1 81 ? 10.299 -34.920 45.557 1.00 48.90 ? 385 TRP A NE1 1 ATOM 609 C CE2 . TRP A 1 81 ? 8.974 -34.834 45.888 1.00 50.63 ? 385 TRP A CE2 1 ATOM 610 C CE3 . TRP A 1 81 ? 6.895 -35.892 45.255 1.00 54.69 ? 385 TRP A CE3 1 ATOM 611 C CZ2 . TRP A 1 81 ? 8.331 -34.011 46.812 1.00 52.57 ? 385 TRP A CZ2 1 ATOM 612 C CZ3 . TRP A 1 81 ? 6.256 -35.074 46.173 1.00 55.23 ? 385 TRP A CZ3 1 ATOM 613 C CH2 . TRP A 1 81 ? 6.975 -34.145 46.939 1.00 55.14 ? 385 TRP A CH2 1 ATOM 614 N N . CYS A 1 82 ? 6.456 -36.618 42.006 1.00 61.20 ? 386 CYS A N 1 ATOM 615 C CA . CYS A 1 82 ? 5.213 -35.864 41.960 1.00 61.05 ? 386 CYS A CA 1 ATOM 616 C C . CYS A 1 82 ? 4.182 -36.581 42.817 1.00 59.39 ? 386 CYS A C 1 ATOM 617 O O . CYS A 1 82 ? 4.084 -37.804 42.764 1.00 59.46 ? 386 CYS A O 1 ATOM 618 C CB . CYS A 1 82 ? 4.708 -35.782 40.521 1.00 60.88 ? 386 CYS A CB 1 ATOM 619 S SG . CYS A 1 82 ? 4.459 -37.394 39.728 1.00 77.36 ? 386 CYS A SG 1 ATOM 620 N N . SER A 1 83 ? 3.415 -35.841 43.611 1.00 58.98 ? 387 SER A N 1 ATOM 621 C CA . SER A 1 83 ? 2.341 -36.480 44.361 1.00 62.08 ? 387 SER A CA 1 ATOM 622 C C . SER A 1 83 ? 1.272 -36.931 43.376 1.00 65.43 ? 387 SER A C 1 ATOM 623 O O . SER A 1 83 ? 1.189 -36.427 42.253 1.00 65.57 ? 387 SER A O 1 ATOM 624 C CB . SER A 1 83 ? 1.744 -35.554 45.417 1.00 60.68 ? 387 SER A CB 1 ATOM 625 O OG . SER A 1 83 ? 0.894 -34.596 44.830 1.00 63.06 ? 387 SER A OG 1 ATOM 626 N N . THR A 1 84 ? 0.467 -37.900 43.788 1.00 63.78 ? 388 THR A N 1 ATOM 627 C CA . THR A 1 84 ? -0.545 -38.454 42.907 1.00 58.80 ? 388 THR A CA 1 ATOM 628 C C . THR A 1 84 ? -1.923 -37.935 43.308 1.00 58.23 ? 388 THR A C 1 ATOM 629 O O . THR A 1 84 ? -2.947 -38.423 42.831 1.00 56.12 ? 388 THR A O 1 ATOM 630 C CB . THR A 1 84 ? -0.512 -39.989 42.923 1.00 53.52 ? 388 THR A CB 1 ATOM 631 O OG1 . THR A 1 84 ? -0.763 -40.458 44.254 1.00 58.39 ? 388 THR A OG1 1 ATOM 632 C CG2 . THR A 1 84 ? 0.850 -40.496 42.466 1.00 40.73 ? 388 THR A CG2 1 ATOM 633 N N . THR A 1 85 ? -1.929 -36.947 44.199 1.00 58.86 ? 389 THR A N 1 ATOM 634 C CA . THR A 1 85 ? -3.135 -36.212 44.559 1.00 61.48 ? 389 THR A CA 1 ATOM 635 C C . THR A 1 85 ? -2.772 -34.729 44.583 1.00 63.69 ? 389 THR A C 1 ATOM 636 O O . THR A 1 85 ? -1.595 -34.386 44.623 1.00 66.68 ? 389 THR A O 1 ATOM 637 C CB . THR A 1 85 ? -3.701 -36.658 45.933 1.00 62.46 ? 389 THR A CB 1 ATOM 638 O OG1 . THR A 1 85 ? -2.790 -36.305 46.980 1.00 64.85 ? 389 THR A OG1 1 ATOM 639 C CG2 . THR A 1 85 ? -3.940 -38.163 45.960 1.00 61.44 ? 389 THR A CG2 1 ATOM 640 N N . SER A 1 86 ? -3.763 -33.845 44.539 1.00 64.11 ? 390 SER A N 1 ATOM 641 C CA . SER A 1 86 ? -3.464 -32.418 44.545 1.00 64.00 ? 390 SER A CA 1 ATOM 642 C C . SER A 1 86 ? -2.859 -32.018 45.885 1.00 60.99 ? 390 SER A C 1 ATOM 643 O O . SER A 1 86 ? -2.092 -31.063 45.971 1.00 55.56 ? 390 SER A O 1 ATOM 644 C CB . SER A 1 86 ? -4.717 -31.588 44.259 1.00 67.62 ? 390 SER A CB 1 ATOM 645 O OG . SER A 1 86 ? -5.632 -31.647 45.339 1.00 73.11 ? 390 SER A OG 1 ATOM 646 N N . ASN A 1 87 ? -3.205 -32.769 46.925 1.00 64.11 ? 391 ASN A N 1 ATOM 647 C CA . ASN A 1 87 ? -2.735 -32.489 48.277 1.00 69.36 ? 391 ASN A CA 1 ATOM 648 C C . ASN A 1 87 ? -1.912 -33.648 48.826 1.00 69.04 ? 391 ASN A C 1 ATOM 649 O O . ASN A 1 87 ? -2.457 -34.693 49.181 1.00 67.73 ? 391 ASN A O 1 ATOM 650 C CB . ASN A 1 87 ? -3.919 -32.204 49.202 1.00 74.22 ? 391 ASN A CB 1 ATOM 651 C CG . ASN A 1 87 ? -3.486 -31.710 50.567 1.00 75.67 ? 391 ASN A CG 1 ATOM 652 O OD1 . ASN A 1 87 ? -2.303 -31.746 50.907 1.00 75.47 ? 391 ASN A OD1 1 ATOM 653 N ND2 . ASN A 1 87 ? -4.445 -31.242 51.357 1.00 75.64 ? 391 ASN A ND2 1 ATOM 654 N N . TYR A 1 88 ? -0.599 -33.450 48.901 1.00 68.85 ? 392 TYR A N 1 ATOM 655 C CA . TYR A 1 88 ? 0.315 -34.516 49.287 1.00 69.63 ? 392 TYR A CA 1 ATOM 656 C C . TYR A 1 88 ? 0.440 -34.662 50.792 1.00 71.31 ? 392 TYR A C 1 ATOM 657 O O . TYR A 1 88 ? 1.134 -35.551 51.281 1.00 72.08 ? 392 TYR A O 1 ATOM 658 C CB . TYR A 1 88 ? 1.705 -34.286 48.695 1.00 72.51 ? 392 TYR A CB 1 ATOM 659 C CG . TYR A 1 88 ? 2.719 -35.276 49.214 1.00 72.02 ? 392 TYR A CG 1 ATOM 660 C CD1 . TYR A 1 88 ? 2.724 -36.585 48.757 1.00 72.08 ? 392 TYR A CD1 1 ATOM 661 C CD2 . TYR A 1 88 ? 3.648 -34.913 50.179 1.00 69.37 ? 392 TYR A CD2 1 ATOM 662 C CE1 . TYR A 1 88 ? 3.633 -37.506 49.234 1.00 73.35 ? 392 TYR A CE1 1 ATOM 663 C CE2 . TYR A 1 88 ? 4.565 -35.828 50.664 1.00 72.09 ? 392 TYR A CE2 1 ATOM 664 C CZ . TYR A 1 88 ? 4.553 -37.124 50.187 1.00 74.92 ? 392 TYR A CZ 1 ATOM 665 O OH . TYR A 1 88 ? 5.461 -38.042 50.663 1.00 77.25 ? 392 TYR A OH 1 ATOM 666 N N . GLU A 1 89 ? -0.222 -33.786 51.532 1.00 75.34 ? 393 GLU A N 1 ATOM 667 C CA . GLU A 1 89 ? -0.167 -33.871 52.981 1.00 79.08 ? 393 GLU A CA 1 ATOM 668 C C . GLU A 1 89 ? -1.362 -34.663 53.489 1.00 79.52 ? 393 GLU A C 1 ATOM 669 O O . GLU A 1 89 ? -1.198 -35.715 54.107 1.00 79.87 ? 393 GLU A O 1 ATOM 670 C CB . GLU A 1 89 ? -0.096 -32.479 53.610 1.00 83.23 ? 393 GLU A CB 1 ATOM 671 C CG . GLU A 1 89 ? 1.119 -31.662 53.168 1.00 89.37 ? 393 GLU A CG 1 ATOM 672 C CD . GLU A 1 89 ? 0.934 -31.011 51.802 1.00 97.34 ? 393 GLU A CD 1 ATOM 673 O OE1 . GLU A 1 89 ? 0.882 -31.740 50.787 1.00 97.37 ? 393 GLU A OE1 1 ATOM 674 O OE2 . GLU A 1 89 ? 0.849 -29.764 51.744 1.00 100.82 ? 393 GLU A OE2 1 ATOM 675 N N . GLN A 1 90 ? -2.562 -34.165 53.207 1.00 84.36 ? 394 GLN A N 1 ATOM 676 C CA . GLN A 1 90 ? -3.786 -34.896 53.512 1.00 93.13 ? 394 GLN A CA 1 ATOM 677 C C . GLN A 1 90 ? -3.614 -36.355 53.102 1.00 94.53 ? 394 GLN A C 1 ATOM 678 O O . GLN A 1 90 ? -3.532 -37.250 53.947 1.00 97.00 ? 394 GLN A O 1 ATOM 679 C CB . GLN A 1 90 ? -4.968 -34.275 52.771 1.00 97.26 ? 394 GLN A CB 1 ATOM 680 C CG . GLN A 1 90 ? -6.276 -35.021 52.944 1.00 103.01 ? 394 GLN A CG 1 ATOM 681 C CD . GLN A 1 90 ? -7.382 -34.468 52.065 1.00 107.80 ? 394 GLN A CD 1 ATOM 682 O OE1 . GLN A 1 90 ? -7.681 -33.274 52.100 1.00 112.20 ? 394 GLN A OE1 1 ATOM 683 N NE2 . GLN A 1 90 ? -7.997 -35.338 51.270 1.00 105.72 ? 394 GLN A NE2 1 ATOM 684 N N . ASP A 1 91 ? -3.567 -36.586 51.797 1.00 90.10 ? 395 ASP A N 1 ATOM 685 C CA . ASP A 1 91 ? -3.148 -37.870 51.274 1.00 87.19 ? 395 ASP A CA 1 ATOM 686 C C . ASP A 1 91 ? -1.642 -37.790 51.321 1.00 81.66 ? 395 ASP A C 1 ATOM 687 O O . ASP A 1 91 ? -1.103 -36.733 51.622 1.00 83.13 ? 395 ASP A O 1 ATOM 688 C CB . ASP A 1 91 ? -3.625 -38.031 49.837 1.00 91.86 ? 395 ASP A CB 1 ATOM 689 C CG . ASP A 1 91 ? -5.094 -37.691 49.672 1.00 98.28 ? 395 ASP A CG 1 ATOM 690 O OD1 . ASP A 1 91 ? -5.841 -37.762 50.673 1.00 101.92 ? 395 ASP A OD1 1 ATOM 691 O OD2 . ASP A 1 91 ? -5.504 -37.351 48.542 1.00 98.96 ? 395 ASP A OD2 1 ATOM 692 N N . GLN A 1 92 ? -0.946 -38.880 51.037 1.00 78.58 ? 396 GLN A N 1 ATOM 693 C CA . GLN A 1 92 ? 0.510 -38.818 51.050 1.00 77.64 ? 396 GLN A CA 1 ATOM 694 C C . GLN A 1 92 ? 1.140 -39.834 50.107 1.00 75.19 ? 396 GLN A C 1 ATOM 695 O O . GLN A 1 92 ? 2.095 -40.527 50.461 1.00 75.73 ? 396 GLN A O 1 ATOM 696 C CB . GLN A 1 92 ? 1.041 -38.986 52.473 1.00 81.43 ? 396 GLN A CB 1 ATOM 697 C CG . GLN A 1 92 ? 2.511 -38.668 52.624 1.00 85.78 ? 396 GLN A CG 1 ATOM 698 C CD . GLN A 1 92 ? 2.966 -38.726 54.066 1.00 89.41 ? 396 GLN A CD 1 ATOM 699 O OE1 . GLN A 1 92 ? 2.153 -38.659 54.986 1.00 87.37 ? 396 GLN A OE1 1 ATOM 700 N NE2 . GLN A 1 92 ? 4.274 -38.846 54.271 1.00 92.38 ? 396 GLN A NE2 1 ATOM 701 N N . LYS A 1 93 ? 0.601 -39.910 48.897 1.00 71.64 ? 397 LYS A N 1 ATOM 702 C CA . LYS A 1 93 ? 1.124 -40.823 47.893 1.00 69.01 ? 397 LYS A CA 1 ATOM 703 C C . LYS A 1 93 ? 1.828 -40.080 46.761 1.00 62.53 ? 397 LYS A C 1 ATOM 704 O O . LYS A 1 93 ? 1.466 -38.956 46.414 1.00 59.30 ? 397 LYS A O 1 ATOM 705 C CB . LYS A 1 93 ? 0.013 -41.720 47.351 1.00 71.72 ? 397 LYS A CB 1 ATOM 706 C CG . LYS A 1 93 ? -0.550 -42.673 48.383 1.00 75.85 ? 397 LYS A CG 1 ATOM 707 C CD . LYS A 1 93 ? -1.622 -43.560 47.784 1.00 82.36 ? 397 LYS A CD 1 ATOM 708 C CE . LYS A 1 93 ? -2.262 -44.443 48.848 1.00 87.03 ? 397 LYS A CE 1 ATOM 709 N NZ . LYS A 1 93 ? -3.441 -45.192 48.318 1.00 87.93 ? 397 LYS A NZ 1 ATOM 710 N N . TYR A 1 94 ? 2.835 -40.728 46.190 1.00 61.45 ? 398 TYR A N 1 ATOM 711 C CA . TYR A 1 94 ? 3.685 -40.113 45.185 1.00 61.01 ? 398 TYR A CA 1 ATOM 712 C C . TYR A 1 94 ? 4.204 -41.185 44.239 1.00 59.72 ? 398 TYR A C 1 ATOM 713 O O . TYR A 1 94 ? 3.949 -42.373 44.431 1.00 61.75 ? 398 TYR A O 1 ATOM 714 C CB . TYR A 1 94 ? 4.884 -39.457 45.866 1.00 64.11 ? 398 TYR A CB 1 ATOM 715 C CG . TYR A 1 94 ? 5.907 -40.464 46.358 1.00 62.92 ? 398 TYR A CG 1 ATOM 716 C CD1 . TYR A 1 94 ? 6.988 -40.827 45.566 1.00 59.91 ? 398 TYR A CD1 1 ATOM 717 C CD2 . TYR A 1 94 ? 5.781 -41.066 47.602 1.00 62.84 ? 398 TYR A CD2 1 ATOM 718 C CE1 . TYR A 1 94 ? 7.916 -41.749 45.996 1.00 58.61 ? 398 TYR A CE1 1 ATOM 719 C CE2 . TYR A 1 94 ? 6.712 -41.993 48.043 1.00 65.19 ? 398 TYR A CE2 1 ATOM 720 C CZ . TYR A 1 94 ? 7.777 -42.327 47.232 1.00 64.86 ? 398 TYR A CZ 1 ATOM 721 O OH . TYR A 1 94 ? 8.712 -43.239 47.658 1.00 70.22 ? 398 TYR A OH 1 ATOM 722 N N . SER A 1 95 ? 4.952 -40.760 43.227 1.00 57.81 ? 399 SER A N 1 ATOM 723 C CA . SER A 1 95 ? 5.709 -41.687 42.389 1.00 57.57 ? 399 SER A CA 1 ATOM 724 C C . SER A 1 95 ? 6.867 -40.970 41.701 1.00 53.46 ? 399 SER A C 1 ATOM 725 O O . SER A 1 95 ? 6.950 -39.746 41.736 1.00 51.92 ? 399 SER A O 1 ATOM 726 C CB . SER A 1 95 ? 4.803 -42.386 41.373 1.00 59.55 ? 399 SER A CB 1 ATOM 727 O OG . SER A 1 95 ? 3.814 -41.508 40.873 1.00 61.39 ? 399 SER A OG 1 ATOM 728 N N . PHE A 1 96 ? 7.771 -41.729 41.092 1.00 54.70 ? 400 PHE A N 1 ATOM 729 C CA . PHE A 1 96 ? 8.935 -41.123 40.446 1.00 56.24 ? 400 PHE A CA 1 ATOM 730 C C . PHE A 1 96 ? 8.685 -40.745 38.986 1.00 55.15 ? 400 PHE A C 1 ATOM 731 O O . PHE A 1 96 ? 7.878 -41.369 38.299 1.00 52.93 ? 400 PHE A O 1 ATOM 732 C CB . PHE A 1 96 ? 10.158 -42.034 40.547 1.00 55.10 ? 400 PHE A CB 1 ATOM 733 C CG . PHE A 1 96 ? 10.643 -42.250 41.951 1.00 52.41 ? 400 PHE A CG 1 ATOM 734 C CD1 . PHE A 1 96 ? 10.528 -43.493 42.555 1.00 50.64 ? 400 PHE A CD1 1 ATOM 735 C CD2 . PHE A 1 96 ? 11.217 -41.213 42.667 1.00 48.94 ? 400 PHE A CD2 1 ATOM 736 C CE1 . PHE A 1 96 ? 10.976 -43.696 43.841 1.00 49.35 ? 400 PHE A CE1 1 ATOM 737 C CE2 . PHE A 1 96 ? 11.667 -41.409 43.956 1.00 44.89 ? 400 PHE A CE2 1 ATOM 738 C CZ . PHE A 1 96 ? 11.547 -42.652 44.543 1.00 47.07 ? 400 PHE A CZ 1 ATOM 739 N N . CYS A 1 97 ? 9.396 -39.719 38.530 1.00 54.92 ? 401 CYS A N 1 ATOM 740 C CA . CYS A 1 97 ? 9.273 -39.223 37.169 1.00 53.24 ? 401 CYS A CA 1 ATOM 741 C C . CYS A 1 97 ? 10.551 -39.509 36.398 1.00 60.92 ? 401 CYS A C 1 ATOM 742 O O . CYS A 1 97 ? 11.646 -39.433 36.948 1.00 66.09 ? 401 CYS A O 1 ATOM 743 C CB . CYS A 1 97 ? 9.025 -37.722 37.187 1.00 48.28 ? 401 CYS A CB 1 ATOM 744 S SG . CYS A 1 97 ? 7.794 -37.208 38.384 1.00 62.74 ? 401 CYS A SG 1 ATOM 745 N N . THR A 1 98 ? 10.404 -39.836 35.121 1.00 65.40 ? 402 THR A N 1 ATOM 746 C CA . THR A 1 98 ? 11.545 -40.106 34.264 1.00 67.86 ? 402 THR A CA 1 ATOM 747 C C . THR A 1 98 ? 12.070 -38.800 33.692 1.00 78.38 ? 402 THR A C 1 ATOM 748 O O . THR A 1 98 ? 13.279 -38.575 33.636 1.00 84.08 ? 402 THR A O 1 ATOM 749 C CB . THR A 1 98 ? 11.144 -41.012 33.107 1.00 61.22 ? 402 THR A CB 1 ATOM 750 O OG1 . THR A 1 98 ? 10.124 -40.367 32.339 1.00 60.22 ? 402 THR A OG1 1 ATOM 751 C CG2 . THR A 1 98 ? 10.601 -42.327 33.632 1.00 61.82 ? 402 THR A CG2 1 ATOM 752 N N . ASP A 1 99 ? 11.150 -37.940 33.269 1.00 83.28 ? 403 ASP A N 1 ATOM 753 C CA . ASP A 1 99 ? 11.514 -36.668 32.658 1.00 90.33 ? 403 ASP A CA 1 ATOM 754 C C . ASP A 1 99 ? 10.960 -35.474 33.431 1.00 90.39 ? 403 ASP A C 1 ATOM 755 O O . ASP A 1 99 ? 10.117 -35.624 34.314 1.00 91.49 ? 403 ASP A O 1 ATOM 756 C CB . ASP A 1 99 ? 11.060 -36.628 31.196 1.00 96.48 ? 403 ASP A CB 1 ATOM 757 C CG . ASP A 1 99 ? 9.592 -36.973 31.028 1.00 103.76 ? 403 ASP A CG 1 ATOM 758 O OD1 . ASP A 1 99 ? 8.818 -36.796 31.992 1.00 106.40 ? 403 ASP A OD1 1 ATOM 759 O OD2 . ASP A 1 99 ? 9.211 -37.422 29.926 1.00 105.55 ? 403 ASP A OD2 1 ATOM 760 N N . HIS A 1 100 ? 11.440 -34.285 33.087 1.00 88.85 ? 404 HIS A N 1 ATOM 761 C CA . HIS A 1 100 ? 11.052 -33.071 33.794 1.00 89.11 ? 404 HIS A CA 1 ATOM 762 C C . HIS A 1 100 ? 10.299 -32.092 32.897 1.00 89.45 ? 404 HIS A C 1 ATOM 763 O O . HIS A 1 100 ? 10.415 -30.878 33.057 1.00 91.10 ? 404 HIS A O 1 ATOM 764 C CB . HIS A 1 100 ? 12.284 -32.392 34.398 1.00 90.53 ? 404 HIS A CB 1 ATOM 765 C CG . HIS A 1 100 ? 11.973 -31.144 35.166 1.00 93.41 ? 404 HIS A CG 1 ATOM 766 N ND1 . HIS A 1 100 ? 12.304 -29.887 34.708 1.00 94.34 ? 404 HIS A ND1 1 ATOM 767 C CD2 . HIS A 1 100 ? 11.352 -30.960 36.355 1.00 94.44 ? 404 HIS A CD2 1 ATOM 768 C CE1 . HIS A 1 100 ? 11.905 -28.982 35.585 1.00 95.25 ? 404 HIS A CE1 1 ATOM 769 N NE2 . HIS A 1 100 ? 11.324 -29.608 36.592 1.00 94.54 ? 404 HIS A NE2 1 ATOM 770 N N . THR A 1 101 ? 9.524 -32.616 31.954 1.00 86.65 ? 405 THR A N 1 ATOM 771 C CA . THR A 1 101 ? 8.719 -31.755 31.095 1.00 85.04 ? 405 THR A CA 1 ATOM 772 C C . THR A 1 101 ? 7.831 -30.836 31.935 1.00 76.23 ? 405 THR A C 1 ATOM 773 O O . THR A 1 101 ? 7.221 -31.267 32.917 1.00 71.79 ? 405 THR A O 1 ATOM 774 C CB . THR A 1 101 ? 7.867 -32.563 30.097 1.00 90.23 ? 405 THR A CB 1 ATOM 775 O OG1 . THR A 1 101 ? 7.032 -33.486 30.808 1.00 89.13 ? 405 THR A OG1 1 ATOM 776 C CG2 . THR A 1 101 ? 8.768 -33.329 29.134 1.00 94.73 ? 405 THR A CG2 1 ATOM 777 N N . VAL A 1 102 ? 7.777 -29.566 31.547 1.00 70.31 ? 406 VAL A N 1 ATOM 778 C CA . VAL A 1 102 ? 7.057 -28.557 32.315 1.00 62.67 ? 406 VAL A CA 1 ATOM 779 C C . VAL A 1 102 ? 6.109 -27.730 31.457 1.00 61.28 ? 406 VAL A C 1 ATOM 780 O O . VAL A 1 102 ? 6.544 -26.918 30.641 1.00 63.52 ? 406 VAL A O 1 ATOM 781 C CB . VAL A 1 102 ? 8.028 -27.592 33.004 1.00 57.81 ? 406 VAL A CB 1 ATOM 782 C CG1 . VAL A 1 102 ? 7.257 -26.490 33.715 1.00 57.87 ? 406 VAL A CG1 1 ATOM 783 C CG2 . VAL A 1 102 ? 8.919 -28.344 33.968 1.00 55.87 ? 406 VAL A CG2 1 ATOM 784 N N . LEU A 1 103 ? 4.812 -27.926 31.658 1.00 57.70 ? 407 LEU A N 1 ATOM 785 C CA . LEU A 1 103 ? 3.806 -27.197 30.901 1.00 56.03 ? 407 LEU A CA 1 ATOM 786 C C . LEU A 1 103 ? 2.804 -26.558 31.846 1.00 56.08 ? 407 LEU A C 1 ATOM 787 O O . LEU A 1 103 ? 1.955 -27.242 32.406 1.00 60.73 ? 407 LEU A O 1 ATOM 788 C CB . LEU A 1 103 ? 3.078 -28.143 29.953 1.00 55.54 ? 407 LEU A CB 1 ATOM 789 C CG . LEU A 1 103 ? 3.962 -28.941 28.999 1.00 55.31 ? 407 LEU A CG 1 ATOM 790 C CD1 . LEU A 1 103 ? 3.090 -29.742 28.057 1.00 57.24 ? 407 LEU A CD1 1 ATOM 791 C CD2 . LEU A 1 103 ? 4.877 -28.015 28.223 1.00 54.81 ? 407 LEU A CD2 1 ATOM 792 N N . VAL A 1 104 ? 2.896 -25.247 32.021 1.00 53.51 ? 408 VAL A N 1 ATOM 793 C CA . VAL A 1 104 ? 2.058 -24.566 32.998 1.00 51.78 ? 408 VAL A CA 1 ATOM 794 C C . VAL A 1 104 ? 1.034 -23.674 32.320 1.00 51.90 ? 408 VAL A C 1 ATOM 795 O O . VAL A 1 104 ? 1.366 -22.590 31.847 1.00 51.47 ? 408 VAL A O 1 ATOM 796 C CB . VAL A 1 104 ? 2.901 -23.711 33.963 1.00 50.89 ? 408 VAL A CB 1 ATOM 797 C CG1 . VAL A 1 104 ? 1.998 -22.930 34.903 1.00 51.46 ? 408 VAL A CG1 1 ATOM 798 C CG2 . VAL A 1 104 ? 3.867 -24.586 34.744 1.00 47.13 ? 408 VAL A CG2 1 ATOM 799 N N . GLN A 1 105 ? -0.212 -24.127 32.278 1.00 53.81 ? 409 GLN A N 1 ATOM 800 C CA . GLN A 1 105 ? -1.259 -23.367 31.608 1.00 61.95 ? 409 GLN A CA 1 ATOM 801 C C . GLN A 1 105 ? -1.833 -22.278 32.507 1.00 62.13 ? 409 GLN A C 1 ATOM 802 O O . GLN A 1 105 ? -2.350 -22.566 33.582 1.00 62.04 ? 409 GLN A O 1 ATOM 803 C CB . GLN A 1 105 ? -2.379 -24.291 31.126 1.00 65.99 ? 409 GLN A CB 1 ATOM 804 C CG . GLN A 1 105 ? -3.465 -23.573 30.335 1.00 68.86 ? 409 GLN A CG 1 ATOM 805 C CD . GLN A 1 105 ? -4.443 -24.533 29.698 1.00 70.13 ? 409 GLN A CD 1 ATOM 806 O OE1 . GLN A 1 105 ? -4.353 -25.744 29.889 1.00 69.28 ? 409 GLN A OE1 1 ATOM 807 N NE2 . GLN A 1 105 ? -5.385 -23.996 28.935 1.00 73.60 ? 409 GLN A NE2 1 ATOM 808 N N . THR A 1 106 ? -1.750 -21.031 32.054 1.00 62.28 ? 410 THR A N 1 ATOM 809 C CA . THR A 1 106 ? -2.218 -19.895 32.838 1.00 61.27 ? 410 THR A CA 1 ATOM 810 C C . THR A 1 106 ? -3.713 -19.664 32.669 1.00 68.78 ? 410 THR A C 1 ATOM 811 O O . THR A 1 106 ? -4.344 -20.193 31.749 1.00 67.71 ? 410 THR A O 1 ATOM 812 C CB . THR A 1 106 ? -1.475 -18.595 32.457 1.00 55.32 ? 410 THR A CB 1 ATOM 813 O OG1 . THR A 1 106 ? -1.877 -18.173 31.150 1.00 53.57 ? 410 THR A OG1 1 ATOM 814 C CG2 . THR A 1 106 ? 0.020 -18.814 32.464 1.00 52.04 ? 410 THR A CG2 1 ATOM 815 N N . ARG A 1 107 ? -4.268 -18.861 33.569 1.00 77.06 ? 411 ARG A N 1 ATOM 816 C CA . ARG A 1 107 ? -5.664 -18.461 33.499 1.00 85.93 ? 411 ARG A CA 1 ATOM 817 C C . ARG A 1 107 ? -5.737 -16.975 33.810 1.00 76.77 ? 411 ARG A C 1 ATOM 818 O O . ARG A 1 107 ? -4.921 -16.459 34.567 1.00 73.55 ? 411 ARG A O 1 ATOM 819 C CB . ARG A 1 107 ? -6.497 -19.258 34.500 1.00 105.35 ? 411 ARG A CB 1 ATOM 820 C CG . ARG A 1 107 ? -6.432 -20.764 34.286 1.00 125.21 ? 411 ARG A CG 1 ATOM 821 C CD . ARG A 1 107 ? -6.999 -21.512 35.481 1.00 144.30 ? 411 ARG A CD 1 ATOM 822 N NE . ARG A 1 107 ? -6.956 -22.967 35.308 1.00 148.41 ? 411 ARG A NE 1 ATOM 823 C CZ . ARG A 1 107 ? -6.015 -23.753 35.817 1.00 147.50 ? 411 ARG A CZ 1 ATOM 824 N NH1 . ARG A 1 107 ? -5.037 -23.222 36.528 1.00 147.00 ? 411 ARG A NH1 1 ATOM 825 N NH2 . ARG A 1 107 ? -6.053 -25.063 35.617 1.00 146.27 ? 411 ARG A NH2 1 ATOM 826 N N . GLY A 1 108 ? -6.701 -16.282 33.216 1.00 72.61 ? 412 GLY A N 1 ATOM 827 C CA . GLY A 1 108 ? -6.822 -14.851 33.415 1.00 72.31 ? 412 GLY A CA 1 ATOM 828 C C . GLY A 1 108 ? -5.613 -14.142 32.844 1.00 72.67 ? 412 GLY A C 1 ATOM 829 O O . GLY A 1 108 ? -4.919 -14.684 31.988 1.00 72.88 ? 412 GLY A O 1 ATOM 830 N N . GLY A 1 109 ? -5.351 -12.932 33.323 1.00 74.34 ? 413 GLY A N 1 ATOM 831 C CA . GLY A 1 109 ? -4.275 -12.131 32.777 1.00 72.34 ? 413 GLY A CA 1 ATOM 832 C C . GLY A 1 109 ? -4.562 -11.759 31.337 1.00 73.02 ? 413 GLY A C 1 ATOM 833 O O . GLY A 1 109 ? -5.697 -11.873 30.871 1.00 74.25 ? 413 GLY A O 1 ATOM 834 N N . ASN A 1 110 ? -3.527 -11.329 30.625 1.00 70.39 ? 414 ASN A N 1 ATOM 835 C CA . ASN A 1 110 ? -3.678 -10.823 29.267 1.00 63.22 ? 414 ASN A CA 1 ATOM 836 C C . ASN A 1 110 ? -3.071 -11.753 28.224 1.00 61.05 ? 414 ASN A C 1 ATOM 837 O O . ASN A 1 110 ? -2.694 -11.309 27.140 1.00 63.52 ? 414 ASN A O 1 ATOM 838 C CB . ASN A 1 110 ? -3.005 -9.459 29.159 1.00 61.05 ? 414 ASN A CB 1 ATOM 839 C CG . ASN A 1 110 ? -1.533 -9.515 29.520 1.00 61.33 ? 414 ASN A CG 1 ATOM 840 O OD1 . ASN A 1 110 ? -0.984 -10.592 29.758 1.00 57.72 ? 414 ASN A OD1 1 ATOM 841 N ND2 . ASN A 1 110 ? -0.885 -8.356 29.561 1.00 63.13 ? 414 ASN A ND2 1 ATOM 842 N N . SER A 1 111 ? -2.973 -13.040 28.545 1.00 57.29 ? 415 SER A N 1 ATOM 843 C CA . SER A 1 111 ? -2.286 -13.976 27.662 1.00 56.00 ? 415 SER A CA 1 ATOM 844 C C . SER A 1 111 ? -3.165 -15.118 27.159 1.00 56.89 ? 415 SER A C 1 ATOM 845 O O . SER A 1 111 ? -2.660 -16.114 26.642 1.00 54.24 ? 415 SER A O 1 ATOM 846 C CB . SER A 1 111 ? -1.033 -14.528 28.341 1.00 55.30 ? 415 SER A CB 1 ATOM 847 O OG . SER A 1 111 ? -0.136 -13.483 28.666 1.00 58.08 ? 415 SER A OG 1 ATOM 848 N N . ASN A 1 112 ? -4.476 -14.970 27.311 1.00 60.18 ? 416 ASN A N 1 ATOM 849 C CA . ASN A 1 112 ? -5.426 -15.943 26.772 1.00 57.97 ? 416 ASN A CA 1 ATOM 850 C C . ASN A 1 112 ? -5.104 -17.402 27.073 1.00 50.28 ? 416 ASN A C 1 ATOM 851 O O . ASN A 1 112 ? -5.336 -18.275 26.241 1.00 45.99 ? 416 ASN A O 1 ATOM 852 C CB . ASN A 1 112 ? -5.572 -15.760 25.264 1.00 60.04 ? 416 ASN A CB 1 ATOM 853 C CG . ASN A 1 112 ? -6.530 -14.653 24.908 1.00 66.68 ? 416 ASN A CG 1 ATOM 854 O OD1 . ASN A 1 112 ? -7.368 -14.252 25.718 1.00 67.56 ? 416 ASN A OD1 1 ATOM 855 N ND2 . ASN A 1 112 ? -6.422 -14.154 23.686 1.00 74.38 ? 416 ASN A ND2 1 ATOM 856 N N . GLY A 1 113 ? -4.570 -17.659 28.261 1.00 49.01 ? 417 GLY A N 1 ATOM 857 C CA . GLY A 1 113 ? -4.310 -19.016 28.703 1.00 47.40 ? 417 GLY A CA 1 ATOM 858 C C . GLY A 1 113 ? -3.075 -19.648 28.094 1.00 47.50 ? 417 GLY A C 1 ATOM 859 O O . GLY A 1 113 ? -2.968 -20.874 28.026 1.00 51.03 ? 417 GLY A O 1 ATOM 860 N N . ALA A 1 114 ? -2.137 -18.816 27.653 1.00 44.12 ? 418 ALA A N 1 ATOM 861 C CA . ALA A 1 114 ? -0.876 -19.321 27.138 1.00 44.08 ? 418 ALA A CA 1 ATOM 862 C C . ALA A 1 114 ? -0.173 -20.083 28.244 1.00 48.48 ? 418 ALA A C 1 ATOM 863 O O . ALA A 1 114 ? -0.564 -20.003 29.405 1.00 51.68 ? 418 ALA A O 1 ATOM 864 C CB . ALA A 1 114 ? -0.005 -18.188 26.652 1.00 43.38 ? 418 ALA A CB 1 ATOM 865 N N . LEU A 1 115 ? 0.865 -20.825 27.887 1.00 49.00 ? 419 LEU A N 1 ATOM 866 C CA . LEU A 1 115 ? 1.678 -21.484 28.892 1.00 49.04 ? 419 LEU A CA 1 ATOM 867 C C . LEU A 1 115 ? 2.644 -20.493 29.513 1.00 47.96 ? 419 LEU A C 1 ATOM 868 O O . LEU A 1 115 ? 3.012 -19.490 28.897 1.00 45.91 ? 419 LEU A O 1 ATOM 869 C CB . LEU A 1 115 ? 2.465 -22.634 28.278 1.00 48.49 ? 419 LEU A CB 1 ATOM 870 C CG . LEU A 1 115 ? 1.630 -23.672 27.541 1.00 51.31 ? 419 LEU A CG 1 ATOM 871 C CD1 . LEU A 1 115 ? 2.540 -24.738 26.988 1.00 53.68 ? 419 LEU A CD1 1 ATOM 872 C CD2 . LEU A 1 115 ? 0.590 -24.272 28.469 1.00 51.53 ? 419 LEU A CD2 1 ATOM 873 N N . CYS A 1 116 ? 3.049 -20.776 30.741 1.00 51.97 ? 420 CYS A N 1 ATOM 874 C CA . CYS A 1 116 ? 4.141 -20.040 31.346 1.00 55.69 ? 420 CYS A CA 1 ATOM 875 C C . CYS A 1 116 ? 5.361 -20.229 30.478 1.00 57.03 ? 420 CYS A C 1 ATOM 876 O O . CYS A 1 116 ? 5.673 -21.349 30.071 1.00 58.84 ? 420 CYS A O 1 ATOM 877 C CB . CYS A 1 116 ? 4.444 -20.570 32.740 1.00 55.40 ? 420 CYS A CB 1 ATOM 878 S SG . CYS A 1 116 ? 3.263 -20.028 33.967 1.00 67.21 ? 420 CYS A SG 1 ATOM 879 N N . HIS A 1 117 ? 6.049 -19.138 30.176 1.00 56.09 ? 421 HIS A N 1 ATOM 880 C CA . HIS A 1 117 ? 7.330 -19.259 29.499 1.00 55.25 ? 421 HIS A CA 1 ATOM 881 C C . HIS A 1 117 ? 8.483 -19.207 30.493 1.00 50.93 ? 421 HIS A C 1 ATOM 882 O O . HIS A 1 117 ? 8.692 -18.197 31.158 1.00 52.72 ? 421 HIS A O 1 ATOM 883 C CB . HIS A 1 117 ? 7.517 -18.178 28.440 1.00 56.68 ? 421 HIS A CB 1 ATOM 884 C CG . HIS A 1 117 ? 8.725 -18.396 27.587 1.00 61.49 ? 421 HIS A CG 1 ATOM 885 N ND1 . HIS A 1 117 ? 9.989 -18.006 27.976 1.00 63.81 ? 421 HIS A ND1 1 ATOM 886 C CD2 . HIS A 1 117 ? 8.868 -18.996 26.383 1.00 58.88 ? 421 HIS A CD2 1 ATOM 887 C CE1 . HIS A 1 117 ? 10.857 -18.343 27.039 1.00 62.45 ? 421 HIS A CE1 1 ATOM 888 N NE2 . HIS A 1 117 ? 10.203 -18.943 26.061 1.00 59.35 ? 421 HIS A NE2 1 ATOM 889 N N . PHE A 1 118 ? 9.235 -20.295 30.589 1.00 48.24 ? 422 PHE A N 1 ATOM 890 C CA . PHE A 1 118 ? 10.380 -20.321 31.485 1.00 54.91 ? 422 PHE A CA 1 ATOM 891 C C . PHE A 1 118 ? 11.692 -20.403 30.716 1.00 59.76 ? 422 PHE A C 1 ATOM 892 O O . PHE A 1 118 ? 11.845 -21.234 29.824 1.00 66.16 ? 422 PHE A O 1 ATOM 893 C CB . PHE A 1 118 ? 10.267 -21.479 32.473 1.00 56.32 ? 422 PHE A CB 1 ATOM 894 C CG . PHE A 1 118 ? 9.070 -21.391 33.373 1.00 59.51 ? 422 PHE A CG 1 ATOM 895 C CD1 . PHE A 1 118 ? 8.902 -20.307 34.216 1.00 62.41 ? 422 PHE A CD1 1 ATOM 896 C CD2 . PHE A 1 118 ? 8.122 -22.399 33.389 1.00 61.27 ? 422 PHE A CD2 1 ATOM 897 C CE1 . PHE A 1 118 ? 7.803 -20.221 35.050 1.00 61.93 ? 422 PHE A CE1 1 ATOM 898 C CE2 . PHE A 1 118 ? 7.022 -22.321 34.222 1.00 63.47 ? 422 PHE A CE2 1 ATOM 899 C CZ . PHE A 1 118 ? 6.862 -21.229 35.054 1.00 62.24 ? 422 PHE A CZ 1 ATOM 900 N N . PRO A 1 119 ? 12.644 -19.527 31.057 1.00 55.85 ? 423 PRO A N 1 ATOM 901 C CA . PRO A 1 119 ? 12.452 -18.498 32.077 1.00 59.78 ? 423 PRO A CA 1 ATOM 902 C C . PRO A 1 119 ? 11.874 -17.216 31.484 1.00 63.67 ? 423 PRO A C 1 ATOM 903 O O . PRO A 1 119 ? 12.079 -16.941 30.297 1.00 59.62 ? 423 PRO A O 1 ATOM 904 C CB . PRO A 1 119 ? 13.876 -18.240 32.559 1.00 58.90 ? 423 PRO A CB 1 ATOM 905 C CG . PRO A 1 119 ? 14.710 -18.475 31.356 1.00 53.92 ? 423 PRO A CG 1 ATOM 906 C CD . PRO A 1 119 ? 14.024 -19.540 30.545 1.00 53.64 ? 423 PRO A CD 1 ATOM 907 N N . PHE A 1 120 ? 11.152 -16.451 32.301 1.00 63.02 ? 424 PHE A N 1 ATOM 908 C CA . PHE A 1 120 ? 10.710 -15.121 31.896 1.00 61.94 ? 424 PHE A CA 1 ATOM 909 C C . PHE A 1 120 ? 11.446 -14.055 32.695 1.00 65.31 ? 424 PHE A C 1 ATOM 910 O O . PHE A 1 120 ? 11.873 -14.300 33.820 1.00 66.85 ? 424 PHE A O 1 ATOM 911 C CB . PHE A 1 120 ? 9.190 -14.964 32.014 1.00 59.94 ? 424 PHE A CB 1 ATOM 912 C CG . PHE A 1 120 ? 8.649 -15.200 33.396 1.00 63.90 ? 424 PHE A CG 1 ATOM 913 C CD1 . PHE A 1 120 ? 8.320 -14.132 34.215 1.00 63.14 ? 424 PHE A CD1 1 ATOM 914 C CD2 . PHE A 1 120 ? 8.447 -16.488 33.871 1.00 66.63 ? 424 PHE A CD2 1 ATOM 915 C CE1 . PHE A 1 120 ? 7.809 -14.341 35.485 1.00 63.04 ? 424 PHE A CE1 1 ATOM 916 C CE2 . PHE A 1 120 ? 7.936 -16.705 35.147 1.00 65.77 ? 424 PHE A CE2 1 ATOM 917 C CZ . PHE A 1 120 ? 7.617 -15.630 35.952 1.00 64.00 ? 424 PHE A CZ 1 ATOM 918 N N . LEU A 1 121 ? 11.608 -12.879 32.102 1.00 65.74 ? 425 LEU A N 1 ATOM 919 C CA . LEU A 1 121 ? 12.403 -11.827 32.718 1.00 67.36 ? 425 LEU A CA 1 ATOM 920 C C . LEU A 1 121 ? 11.543 -10.712 33.299 1.00 70.51 ? 425 LEU A C 1 ATOM 921 O O . LEU A 1 121 ? 10.817 -10.024 32.578 1.00 70.93 ? 425 LEU A O 1 ATOM 922 C CB . LEU A 1 121 ? 13.383 -11.240 31.705 1.00 71.33 ? 425 LEU A CB 1 ATOM 923 C CG . LEU A 1 121 ? 14.356 -10.199 32.261 1.00 71.28 ? 425 LEU A CG 1 ATOM 924 C CD1 . LEU A 1 121 ? 15.610 -10.881 32.784 1.00 69.32 ? 425 LEU A CD1 1 ATOM 925 C CD2 . LEU A 1 121 ? 14.705 -9.179 31.192 1.00 70.41 ? 425 LEU A CD2 1 ATOM 926 N N . TYR A 1 122 ? 11.641 -10.535 34.611 1.00 72.57 ? 426 TYR A N 1 ATOM 927 C CA . TYR A 1 122 ? 10.921 -9.474 35.297 1.00 72.65 ? 426 TYR A CA 1 ATOM 928 C C . TYR A 1 122 ? 11.880 -8.708 36.195 1.00 73.22 ? 426 TYR A C 1 ATOM 929 O O . TYR A 1 122 ? 12.745 -9.302 36.840 1.00 70.64 ? 426 TYR A O 1 ATOM 930 C CB . TYR A 1 122 ? 9.761 -10.052 36.108 1.00 71.50 ? 426 TYR A CB 1 ATOM 931 C CG . TYR A 1 122 ? 9.043 -9.041 36.968 1.00 74.29 ? 426 TYR A CG 1 ATOM 932 C CD1 . TYR A 1 122 ? 8.333 -7.996 36.399 1.00 75.10 ? 426 TYR A CD1 1 ATOM 933 C CD2 . TYR A 1 122 ? 9.065 -9.141 38.352 1.00 77.24 ? 426 TYR A CD2 1 ATOM 934 C CE1 . TYR A 1 122 ? 7.672 -7.072 37.184 1.00 78.87 ? 426 TYR A CE1 1 ATOM 935 C CE2 . TYR A 1 122 ? 8.406 -8.222 39.146 1.00 80.02 ? 426 TYR A CE2 1 ATOM 936 C CZ . TYR A 1 122 ? 7.710 -7.189 38.558 1.00 82.06 ? 426 TYR A CZ 1 ATOM 937 O OH . TYR A 1 122 ? 7.049 -6.270 39.347 1.00 84.81 ? 426 TYR A OH 1 ATOM 938 N N . ASN A 1 123 ? 11.725 -7.388 36.227 1.00 78.69 ? 427 ASN A N 1 ATOM 939 C CA . ASN A 1 123 ? 12.635 -6.530 36.977 1.00 84.21 ? 427 ASN A CA 1 ATOM 940 C C . ASN A 1 123 ? 14.077 -6.967 36.804 1.00 86.87 ? 427 ASN A C 1 ATOM 941 O O . ASN A 1 123 ? 14.859 -6.970 37.758 1.00 89.28 ? 427 ASN A O 1 ATOM 942 C CB . ASN A 1 123 ? 12.265 -6.495 38.458 1.00 83.96 ? 427 ASN A CB 1 ATOM 943 C CG . ASN A 1 123 ? 11.077 -5.606 38.733 1.00 86.23 ? 427 ASN A CG 1 ATOM 944 O OD1 . ASN A 1 123 ? 10.692 -4.791 37.894 1.00 85.85 ? 427 ASN A OD1 1 ATOM 945 N ND2 . ASN A 1 123 ? 10.489 -5.751 39.914 1.00 89.16 ? 427 ASN A ND2 1 ATOM 946 N N . ASN A 1 124 ? 14.412 -7.351 35.577 1.00 82.25 ? 428 ASN A N 1 ATOM 947 C CA . ASN A 1 124 ? 15.772 -7.719 35.232 1.00 79.73 ? 428 ASN A CA 1 ATOM 948 C C . ASN A 1 124 ? 16.239 -8.976 35.957 1.00 81.05 ? 428 ASN A C 1 ATOM 949 O O . ASN A 1 124 ? 17.412 -9.106 36.302 1.00 81.28 ? 428 ASN A O 1 ATOM 950 C CB . ASN A 1 124 ? 16.716 -6.558 35.529 1.00 79.00 ? 428 ASN A CB 1 ATOM 951 C CG . ASN A 1 124 ? 17.994 -6.634 34.732 1.00 83.07 ? 428 ASN A CG 1 ATOM 952 O OD1 . ASN A 1 124 ? 17.970 -6.777 33.509 1.00 81.55 ? 428 ASN A OD1 1 ATOM 953 N ND2 . ASN A 1 124 ? 19.123 -6.533 35.421 1.00 86.91 ? 428 ASN A ND2 1 ATOM 954 N N . HIS A 1 125 ? 15.315 -9.899 36.191 1.00 81.37 ? 429 HIS A N 1 ATOM 955 C CA . HIS A 1 125 ? 15.671 -11.176 36.790 1.00 81.43 ? 429 HIS A CA 1 ATOM 956 C C . HIS A 1 125 ? 14.910 -12.299 36.107 1.00 76.42 ? 429 HIS A C 1 ATOM 957 O O . HIS A 1 125 ? 13.751 -12.132 35.735 1.00 73.70 ? 429 HIS A O 1 ATOM 958 C CB . HIS A 1 125 ? 15.392 -11.169 38.291 1.00 89.42 ? 429 HIS A CB 1 ATOM 959 C CG . HIS A 1 125 ? 15.857 -12.407 38.994 1.00 98.62 ? 429 HIS A CG 1 ATOM 960 N ND1 . HIS A 1 125 ? 15.001 -13.425 39.354 1.00 100.41 ? 429 HIS A ND1 1 ATOM 961 C CD2 . HIS A 1 125 ? 17.092 -12.793 39.395 1.00 102.96 ? 429 HIS A CD2 1 ATOM 962 C CE1 . HIS A 1 125 ? 15.687 -14.384 39.953 1.00 100.90 ? 429 HIS A CE1 1 ATOM 963 N NE2 . HIS A 1 125 ? 16.957 -14.026 39.989 1.00 103.14 ? 429 HIS A NE2 1 ATOM 964 N N . ASN A 1 126 ? 15.577 -13.436 35.932 1.00 77.00 ? 430 ASN A N 1 ATOM 965 C CA . ASN A 1 126 ? 14.986 -14.581 35.247 1.00 79.07 ? 430 ASN A CA 1 ATOM 966 C C . ASN A 1 126 ? 14.346 -15.575 36.201 1.00 74.37 ? 430 ASN A C 1 ATOM 967 O O . ASN A 1 126 ? 15.019 -16.162 37.045 1.00 74.09 ? 430 ASN A O 1 ATOM 968 C CB . ASN A 1 126 ? 16.028 -15.293 34.386 1.00 83.59 ? 430 ASN A CB 1 ATOM 969 C CG . ASN A 1 126 ? 16.314 -14.560 33.094 1.00 88.93 ? 430 ASN A CG 1 ATOM 970 O OD1 . ASN A 1 126 ? 15.423 -13.957 32.493 1.00 85.30 ? 430 ASN A OD1 1 ATOM 971 N ND2 . ASN A 1 126 ? 17.564 -14.614 32.654 1.00 98.61 ? 430 ASN A ND2 1 ATOM 972 N N . TYR A 1 127 ? 13.041 -15.764 36.052 1.00 72.15 ? 431 TYR A N 1 ATOM 973 C CA . TYR A 1 127 ? 12.303 -16.663 36.922 1.00 72.49 ? 431 TYR A CA 1 ATOM 974 C C . TYR A 1 127 ? 12.046 -17.993 36.237 1.00 74.11 ? 431 TYR A C 1 ATOM 975 O O . TYR A 1 127 ? 11.555 -18.039 35.108 1.00 76.28 ? 431 TYR A O 1 ATOM 976 C CB . TYR A 1 127 ? 10.977 -16.035 37.334 1.00 72.76 ? 431 TYR A CB 1 ATOM 977 C CG . TYR A 1 127 ? 11.124 -14.720 38.056 1.00 76.07 ? 431 TYR A CG 1 ATOM 978 C CD1 . TYR A 1 127 ? 11.367 -14.681 39.421 1.00 80.67 ? 431 TYR A CD1 1 ATOM 979 C CD2 . TYR A 1 127 ? 11.012 -13.518 37.377 1.00 77.68 ? 431 TYR A CD2 1 ATOM 980 C CE1 . TYR A 1 127 ? 11.499 -13.481 40.090 1.00 84.97 ? 431 TYR A CE1 1 ATOM 981 C CE2 . TYR A 1 127 ? 11.141 -12.312 38.037 1.00 83.62 ? 431 TYR A CE2 1 ATOM 982 C CZ . TYR A 1 127 ? 11.384 -12.299 39.395 1.00 88.28 ? 431 TYR A CZ 1 ATOM 983 O OH . TYR A 1 127 ? 11.514 -11.102 40.063 1.00 92.73 ? 431 TYR A OH 1 ATOM 984 N N . THR A 1 128 ? 12.376 -19.073 36.934 1.00 71.96 ? 432 THR A N 1 ATOM 985 C CA . THR A 1 128 ? 12.195 -20.415 36.406 1.00 69.01 ? 432 THR A CA 1 ATOM 986 C C . THR A 1 128 ? 10.962 -21.061 37.015 1.00 65.44 ? 432 THR A C 1 ATOM 987 O O . THR A 1 128 ? 10.726 -22.256 36.845 1.00 67.21 ? 432 THR A O 1 ATOM 988 C CB . THR A 1 128 ? 13.409 -21.297 36.714 1.00 70.44 ? 432 THR A CB 1 ATOM 989 O OG1 . THR A 1 128 ? 13.577 -21.396 38.135 1.00 69.12 ? 432 THR A OG1 1 ATOM 990 C CG2 . THR A 1 128 ? 14.668 -20.704 36.100 1.00 70.46 ? 432 THR A CG2 1 ATOM 991 N N . ASP A 1 129 ? 10.182 -20.261 37.733 1.00 63.64 ? 433 ASP A N 1 ATOM 992 C CA . ASP A 1 129 ? 8.949 -20.735 38.348 1.00 66.47 ? 433 ASP A CA 1 ATOM 993 C C . ASP A 1 129 ? 7.996 -19.564 38.552 1.00 72.03 ? 433 ASP A C 1 ATOM 994 O O . ASP A 1 129 ? 8.426 -18.415 38.613 1.00 77.41 ? 433 ASP A O 1 ATOM 995 C CB . ASP A 1 129 ? 9.247 -21.412 39.686 1.00 66.78 ? 433 ASP A CB 1 ATOM 996 C CG . ASP A 1 129 ? 8.005 -21.983 40.338 1.00 69.56 ? 433 ASP A CG 1 ATOM 997 O OD1 . ASP A 1 129 ? 6.990 -22.159 39.631 1.00 70.46 ? 433 ASP A OD1 1 ATOM 998 O OD2 . ASP A 1 129 ? 8.041 -22.261 41.556 1.00 69.44 ? 433 ASP A OD2 1 ATOM 999 N N . CYS A 1 130 ? 6.703 -19.852 38.644 1.00 71.30 ? 434 CYS A N 1 ATOM 1000 C CA . CYS A 1 130 ? 5.717 -18.813 38.902 1.00 72.01 ? 434 CYS A CA 1 ATOM 1001 C C . CYS A 1 130 ? 6.120 -18.050 40.149 1.00 74.31 ? 434 CYS A C 1 ATOM 1002 O O . CYS A 1 130 ? 6.903 -18.543 40.962 1.00 72.55 ? 434 CYS A O 1 ATOM 1003 C CB . CYS A 1 130 ? 4.331 -19.419 39.101 1.00 70.91 ? 434 CYS A CB 1 ATOM 1004 S SG . CYS A 1 130 ? 3.746 -20.405 37.724 1.00 55.57 ? 434 CYS A SG 1 ATOM 1005 N N . THR A 1 131 ? 5.583 -16.846 40.302 1.00 76.63 ? 435 THR A N 1 ATOM 1006 C CA . THR A 1 131 ? 5.938 -16.012 41.439 1.00 75.80 ? 435 THR A CA 1 ATOM 1007 C C . THR A 1 131 ? 4.780 -15.134 41.879 1.00 72.39 ? 435 THR A C 1 ATOM 1008 O O . THR A 1 131 ? 3.742 -15.073 41.220 1.00 66.04 ? 435 THR A O 1 ATOM 1009 C CB . THR A 1 131 ? 7.152 -15.118 41.122 1.00 76.45 ? 435 THR A CB 1 ATOM 1010 O OG1 . THR A 1 131 ? 7.487 -14.336 42.275 1.00 79.02 ? 435 THR A OG1 1 ATOM 1011 C CG2 . THR A 1 131 ? 6.842 -14.195 39.958 1.00 75.17 ? 435 THR A CG2 1 ATOM 1012 N N . SER A 1 132 ? 4.970 -14.466 43.009 1.00 76.63 ? 436 SER A N 1 ATOM 1013 C CA . SER A 1 132 ? 3.996 -13.520 43.520 1.00 81.03 ? 436 SER A CA 1 ATOM 1014 C C . SER A 1 132 ? 4.612 -12.130 43.530 1.00 78.45 ? 436 SER A C 1 ATOM 1015 O O . SER A 1 132 ? 3.930 -11.145 43.800 1.00 77.35 ? 436 SER A O 1 ATOM 1016 C CB . SER A 1 132 ? 3.553 -13.920 44.927 1.00 87.35 ? 436 SER A CB 1 ATOM 1017 O OG . SER A 1 132 ? 4.674 -14.181 45.753 1.00 92.99 ? 436 SER A OG 1 ATOM 1018 N N . GLU A 1 133 ? 5.906 -12.059 43.229 1.00 78.00 ? 437 GLU A N 1 ATOM 1019 C CA . GLU A 1 133 ? 6.620 -10.788 43.200 1.00 83.74 ? 437 GLU A CA 1 ATOM 1020 C C . GLU A 1 133 ? 5.749 -9.695 42.607 1.00 88.21 ? 437 GLU A C 1 ATOM 1021 O O . GLU A 1 133 ? 5.028 -9.928 41.641 1.00 89.44 ? 437 GLU A O 1 ATOM 1022 C CB . GLU A 1 133 ? 7.907 -10.908 42.384 1.00 87.75 ? 437 GLU A CB 1 ATOM 1023 C CG . GLU A 1 133 ? 8.968 -11.804 43.000 1.00 93.32 ? 437 GLU A CG 1 ATOM 1024 C CD . GLU A 1 133 ? 9.650 -11.174 44.199 1.00 97.66 ? 437 GLU A CD 1 ATOM 1025 O OE1 . GLU A 1 133 ? 9.100 -10.201 44.759 1.00 96.72 ? 437 GLU A OE1 1 ATOM 1026 O OE2 . GLU A 1 133 ? 10.740 -11.654 44.578 1.00 100.45 ? 437 GLU A OE2 1 ATOM 1027 N N . GLY A 1 134 ? 5.812 -8.505 43.196 1.00 94.22 ? 438 GLY A N 1 ATOM 1028 C CA . GLY A 1 134 ? 5.054 -7.370 42.703 1.00 99.86 ? 438 GLY A CA 1 ATOM 1029 C C . GLY A 1 134 ? 3.573 -7.452 43.017 1.00 103.93 ? 438 GLY A C 1 ATOM 1030 O O . GLY A 1 134 ? 2.819 -6.522 42.734 1.00 107.64 ? 438 GLY A O 1 ATOM 1031 N N . ARG A 1 135 ? 3.152 -8.567 43.602 1.00 102.96 ? 439 ARG A N 1 ATOM 1032 C CA . ARG A 1 135 ? 1.747 -8.766 43.937 1.00 103.81 ? 439 ARG A CA 1 ATOM 1033 C C . ARG A 1 135 ? 1.505 -8.733 45.439 1.00 110.23 ? 439 ARG A C 1 ATOM 1034 O O . ARG A 1 135 ? 1.987 -9.591 46.180 1.00 111.72 ? 439 ARG A O 1 ATOM 1035 C CB . ARG A 1 135 ? 1.237 -10.086 43.355 1.00 98.13 ? 439 ARG A CB 1 ATOM 1036 C CG . ARG A 1 135 ? 0.528 -9.946 42.025 1.00 97.28 ? 439 ARG A CG 1 ATOM 1037 C CD . ARG A 1 135 ? -0.979 -9.941 42.209 1.00 99.22 ? 439 ARG A CD 1 ATOM 1038 N NE . ARG A 1 135 ? -1.684 -9.688 40.956 1.00 102.53 ? 439 ARG A NE 1 ATOM 1039 C CZ . ARG A 1 135 ? -2.991 -9.860 40.786 1.00 105.62 ? 439 ARG A CZ 1 ATOM 1040 N NH1 . ARG A 1 135 ? -3.738 -10.296 41.792 1.00 105.22 ? 439 ARG A NH1 1 ATOM 1041 N NH2 . ARG A 1 135 ? -3.549 -9.601 39.611 1.00 106.65 ? 439 ARG A NH2 1 ATOM 1042 N N . ARG A 1 136 ? 0.758 -7.729 45.883 1.00 113.82 ? 440 ARG A N 1 ATOM 1043 C CA . ARG A 1 136 ? 0.309 -7.667 47.264 1.00 115.52 ? 440 ARG A CA 1 ATOM 1044 C C . ARG A 1 136 ? -0.576 -8.879 47.522 1.00 114.60 ? 440 ARG A C 1 ATOM 1045 O O . ARG A 1 136 ? -0.612 -9.422 48.625 1.00 115.21 ? 440 ARG A O 1 ATOM 1046 C CB . ARG A 1 136 ? -0.481 -6.380 47.490 1.00 118.88 ? 440 ARG A CB 1 ATOM 1047 C CG . ARG A 1 136 ? -0.970 -6.173 48.909 1.00 122.94 ? 440 ARG A CG 1 ATOM 1048 C CD . ARG A 1 136 ? -1.791 -4.899 49.002 1.00 128.35 ? 440 ARG A CD 1 ATOM 1049 N NE . ARG A 1 136 ? -1.201 -3.829 48.203 1.00 133.59 ? 440 ARG A NE 1 ATOM 1050 C CZ . ARG A 1 136 ? -1.595 -2.560 48.239 1.00 138.03 ? 440 ARG A CZ 1 ATOM 1051 N NH1 . ARG A 1 136 ? -2.582 -2.192 49.046 1.00 140.11 ? 440 ARG A NH1 1 ATOM 1052 N NH2 . ARG A 1 136 ? -0.995 -1.658 47.472 1.00 138.96 ? 440 ARG A NH2 1 ATOM 1053 N N . ASP A 1 137 ? -1.270 -9.303 46.471 1.00 112.82 ? 441 ASP A N 1 ATOM 1054 C CA . ASP A 1 137 ? -2.241 -10.390 46.532 1.00 110.87 ? 441 ASP A CA 1 ATOM 1055 C C . ASP A 1 137 ? -1.648 -11.735 46.968 1.00 106.50 ? 441 ASP A C 1 ATOM 1056 O O . ASP A 1 137 ? -2.271 -12.474 47.730 1.00 105.01 ? 441 ASP A O 1 ATOM 1057 C CB . ASP A 1 137 ? -2.912 -10.531 45.164 1.00 113.98 ? 441 ASP A CB 1 ATOM 1058 C CG . ASP A 1 137 ? -4.108 -11.453 45.189 1.00 116.42 ? 441 ASP A CG 1 ATOM 1059 O OD1 . ASP A 1 137 ? -4.293 -12.170 46.195 1.00 117.10 ? 441 ASP A OD1 1 ATOM 1060 O OD2 . ASP A 1 137 ? -4.865 -11.458 44.196 1.00 117.33 ? 441 ASP A OD2 1 ATOM 1061 N N . ASN A 1 138 ? -0.450 -12.045 46.480 1.00 105.75 ? 442 ASN A N 1 ATOM 1062 C CA . ASN A 1 138 ? 0.188 -13.344 46.716 1.00 104.12 ? 442 ASN A CA 1 ATOM 1063 C C . ASN A 1 138 ? -0.320 -14.462 45.805 1.00 100.08 ? 442 ASN A C 1 ATOM 1064 O O . ASN A 1 138 ? -0.133 -15.644 46.093 1.00 98.97 ? 442 ASN A O 1 ATOM 1065 C CB . ASN A 1 138 ? 0.101 -13.764 48.186 1.00 104.53 ? 442 ASN A CB 1 ATOM 1066 C CG . ASN A 1 138 ? 1.141 -13.080 49.045 1.00 107.08 ? 442 ASN A CG 1 ATOM 1067 O OD1 . ASN A 1 138 ? 1.739 -12.083 48.640 1.00 108.27 ? 442 ASN A OD1 1 ATOM 1068 N ND2 . ASN A 1 138 ? 1.367 -13.615 50.238 1.00 107.61 ? 442 ASN A ND2 1 ATOM 1069 N N . MET A 1 139 ? -0.965 -14.078 44.707 1.00 94.81 ? 443 MET A N 1 ATOM 1070 C CA . MET A 1 139 ? -1.326 -15.026 43.662 1.00 85.45 ? 443 MET A CA 1 ATOM 1071 C C . MET A 1 139 ? -0.091 -15.318 42.820 1.00 80.97 ? 443 MET A C 1 ATOM 1072 O O . MET A 1 139 ? 0.747 -14.440 42.613 1.00 82.00 ? 443 MET A O 1 ATOM 1073 C CB . MET A 1 139 ? -2.440 -14.459 42.780 1.00 81.54 ? 443 MET A CB 1 ATOM 1074 C CG . MET A 1 139 ? -3.781 -14.335 43.476 1.00 79.78 ? 443 MET A CG 1 ATOM 1075 S SD . MET A 1 139 ? -4.452 -15.921 44.005 1.00 104.14 ? 443 MET A SD 1 ATOM 1076 C CE . MET A 1 139 ? -4.785 -16.694 42.427 1.00 126.24 ? 443 MET A CE 1 ATOM 1077 N N . LYS A 1 140 ? 0.030 -16.549 42.339 1.00 75.78 ? 444 LYS A N 1 ATOM 1078 C CA . LYS A 1 140 ? 1.173 -16.912 41.508 1.00 72.21 ? 444 LYS A CA 1 ATOM 1079 C C . LYS A 1 140 ? 0.926 -16.591 40.040 1.00 70.31 ? 444 LYS A C 1 ATOM 1080 O O . LYS A 1 140 ? -0.122 -16.926 39.483 1.00 69.80 ? 444 LYS A O 1 ATOM 1081 C CB . LYS A 1 140 ? 1.531 -18.388 41.683 1.00 70.19 ? 444 LYS A CB 1 ATOM 1082 C CG . LYS A 1 140 ? 2.055 -18.716 43.064 1.00 68.01 ? 444 LYS A CG 1 ATOM 1083 C CD . LYS A 1 140 ? 3.252 -17.849 43.407 1.00 67.76 ? 444 LYS A CD 1 ATOM 1084 C CE . LYS A 1 140 ? 3.740 -18.117 44.820 1.00 69.19 ? 444 LYS A CE 1 ATOM 1085 N NZ . LYS A 1 140 ? 4.959 -17.324 45.150 1.00 72.28 ? 444 LYS A NZ 1 ATOM 1086 N N . TRP A 1 141 ? 1.893 -15.931 39.418 1.00 67.94 ? 445 TRP A N 1 ATOM 1087 C CA . TRP A 1 141 ? 1.770 -15.573 38.017 1.00 64.18 ? 445 TRP A CA 1 ATOM 1088 C C . TRP A 1 141 ? 3.081 -15.819 37.312 1.00 62.03 ? 445 TRP A C 1 ATOM 1089 O O . TRP A 1 141 ? 4.144 -15.821 37.931 1.00 59.55 ? 445 TRP A O 1 ATOM 1090 C CB . TRP A 1 141 ? 1.385 -14.106 37.871 1.00 64.64 ? 445 TRP A CB 1 ATOM 1091 C CG . TRP A 1 141 ? 2.443 -13.166 38.362 1.00 62.86 ? 445 TRP A CG 1 ATOM 1092 C CD1 . TRP A 1 141 ? 2.663 -12.777 39.652 1.00 60.37 ? 445 TRP A CD1 1 ATOM 1093 C CD2 . TRP A 1 141 ? 3.429 -12.496 37.570 1.00 61.90 ? 445 TRP A CD2 1 ATOM 1094 N NE1 . TRP A 1 141 ? 3.723 -11.905 39.713 1.00 57.24 ? 445 TRP A NE1 1 ATOM 1095 C CE2 . TRP A 1 141 ? 4.210 -11.715 38.448 1.00 59.83 ? 445 TRP A CE2 1 ATOM 1096 C CE3 . TRP A 1 141 ? 3.725 -12.477 36.204 1.00 61.93 ? 445 TRP A CE3 1 ATOM 1097 C CZ2 . TRP A 1 141 ? 5.267 -10.927 38.004 1.00 60.87 ? 445 TRP A CZ2 1 ATOM 1098 C CZ3 . TRP A 1 141 ? 4.775 -11.693 35.766 1.00 63.62 ? 445 TRP A CZ3 1 ATOM 1099 C CH2 . TRP A 1 141 ? 5.533 -10.928 36.663 1.00 63.28 ? 445 TRP A CH2 1 ATOM 1100 N N . CYS A 1 142 ? 2.996 -16.018 36.004 1.00 62.30 ? 446 CYS A N 1 ATOM 1101 C CA . CYS A 1 142 ? 4.171 -16.255 35.184 1.00 56.07 ? 446 CYS A CA 1 ATOM 1102 C C . CYS A 1 142 ? 4.138 -15.353 33.962 1.00 55.69 ? 446 CYS A C 1 ATOM 1103 O O . CYS A 1 142 ? 3.068 -14.919 33.522 1.00 55.06 ? 446 CYS A O 1 ATOM 1104 C CB . CYS A 1 142 ? 4.205 -17.703 34.726 1.00 51.14 ? 446 CYS A CB 1 ATOM 1105 S SG . CYS A 1 142 ? 2.903 -18.083 33.565 1.00 64.62 ? 446 CYS A SG 1 ATOM 1106 N N . GLY A 1 143 ? 5.315 -15.065 33.420 1.00 55.40 ? 447 GLY A N 1 ATOM 1107 C CA . GLY A 1 143 ? 5.407 -14.360 32.158 1.00 57.81 ? 447 GLY A CA 1 ATOM 1108 C C . GLY A 1 143 ? 5.146 -15.356 31.048 1.00 57.83 ? 447 GLY A C 1 ATOM 1109 O O . GLY A 1 143 ? 5.610 -16.495 31.115 1.00 60.46 ? 447 GLY A O 1 ATOM 1110 N N . THR A 1 144 ? 4.394 -14.946 30.035 1.00 52.28 ? 448 THR A N 1 ATOM 1111 C CA . THR A 1 144 ? 4.063 -15.853 28.948 1.00 51.25 ? 448 THR A CA 1 ATOM 1112 C C . THR A 1 144 ? 4.969 -15.646 27.744 1.00 55.33 ? 448 THR A C 1 ATOM 1113 O O . THR A 1 144 ? 4.800 -16.297 26.717 1.00 61.64 ? 448 THR A O 1 ATOM 1114 C CB . THR A 1 144 ? 2.604 -15.724 28.529 1.00 55.92 ? 448 THR A CB 1 ATOM 1115 O OG1 . THR A 1 144 ? 2.299 -14.343 28.311 1.00 61.45 ? 448 THR A OG1 1 ATOM 1116 C CG2 . THR A 1 144 ? 1.700 -16.266 29.618 1.00 55.39 ? 448 THR A CG2 1 ATOM 1117 N N . THR A 1 145 ? 5.922 -14.730 27.870 1.00 54.58 ? 449 THR A N 1 ATOM 1118 C CA . THR A 1 145 ? 7.018 -14.645 26.913 1.00 51.12 ? 449 THR A CA 1 ATOM 1119 C C . THR A 1 145 ? 8.314 -14.766 27.695 1.00 55.33 ? 449 THR A C 1 ATOM 1120 O O . THR A 1 145 ? 8.298 -14.873 28.921 1.00 54.18 ? 449 THR A O 1 ATOM 1121 C CB . THR A 1 145 ? 7.010 -13.333 26.113 1.00 46.80 ? 449 THR A CB 1 ATOM 1122 O OG1 . THR A 1 145 ? 7.341 -12.237 26.975 1.00 47.09 ? 449 THR A OG1 1 ATOM 1123 C CG2 . THR A 1 145 ? 5.645 -13.096 25.482 1.00 43.46 ? 449 THR A CG2 1 ATOM 1124 N N . GLN A 1 146 ? 9.441 -14.754 26.998 1.00 60.51 ? 450 GLN A N 1 ATOM 1125 C CA . GLN A 1 146 ? 10.708 -14.925 27.684 1.00 60.89 ? 450 GLN A CA 1 ATOM 1126 C C . GLN A 1 146 ? 11.104 -13.643 28.397 1.00 60.21 ? 450 GLN A C 1 ATOM 1127 O O . GLN A 1 146 ? 11.974 -13.647 29.264 1.00 62.41 ? 450 GLN A O 1 ATOM 1128 C CB . GLN A 1 146 ? 11.797 -15.360 26.714 1.00 58.32 ? 450 GLN A CB 1 ATOM 1129 C CG . GLN A 1 146 ? 12.221 -14.300 25.741 1.00 56.69 ? 450 GLN A CG 1 ATOM 1130 C CD . GLN A 1 146 ? 13.510 -14.668 25.063 1.00 59.58 ? 450 GLN A CD 1 ATOM 1131 O OE1 . GLN A 1 146 ? 13.646 -15.766 24.525 1.00 64.87 ? 450 GLN A OE1 1 ATOM 1132 N NE2 . GLN A 1 146 ? 14.474 -13.759 25.091 1.00 59.07 ? 450 GLN A NE2 1 ATOM 1133 N N . ASN A 1 147 ? 10.457 -12.544 28.029 1.00 55.90 ? 451 ASN A N 1 ATOM 1134 C CA . ASN A 1 147 ? 10.740 -11.264 28.655 1.00 60.96 ? 451 ASN A CA 1 ATOM 1135 C C . ASN A 1 147 ? 9.463 -10.507 28.985 1.00 62.95 ? 451 ASN A C 1 ATOM 1136 O O . ASN A 1 147 ? 8.763 -10.030 28.091 1.00 65.87 ? 451 ASN A O 1 ATOM 1137 C CB . ASN A 1 147 ? 11.651 -10.419 27.764 1.00 66.78 ? 451 ASN A CB 1 ATOM 1138 C CG . ASN A 1 147 ? 11.922 -9.044 28.343 1.00 75.57 ? 451 ASN A CG 1 ATOM 1139 O OD1 . ASN A 1 147 ? 11.182 -8.555 29.195 1.00 78.98 ? 451 ASN A OD1 1 ATOM 1140 N ND2 . ASN A 1 147 ? 12.987 -8.409 27.877 1.00 79.40 ? 451 ASN A ND2 1 ATOM 1141 N N . TYR A 1 148 ? 9.166 -10.397 30.275 1.00 58.28 ? 452 TYR A N 1 ATOM 1142 C CA . TYR A 1 148 ? 7.980 -9.684 30.715 1.00 59.92 ? 452 TYR A CA 1 ATOM 1143 C C . TYR A 1 148 ? 8.207 -8.182 30.680 1.00 64.57 ? 452 TYR A C 1 ATOM 1144 O O . TYR A 1 148 ? 7.346 -7.424 30.231 1.00 67.11 ? 452 TYR A O 1 ATOM 1145 C CB . TYR A 1 148 ? 7.575 -10.108 32.123 1.00 63.09 ? 452 TYR A CB 1 ATOM 1146 C CG . TYR A 1 148 ? 6.431 -9.285 32.667 1.00 65.98 ? 452 TYR A CG 1 ATOM 1147 C CD1 . TYR A 1 148 ? 5.124 -9.550 32.288 1.00 66.87 ? 452 TYR A CD1 1 ATOM 1148 C CD2 . TYR A 1 148 ? 6.660 -8.230 33.541 1.00 67.23 ? 452 TYR A CD2 1 ATOM 1149 C CE1 . TYR A 1 148 ? 4.076 -8.797 32.773 1.00 72.49 ? 452 TYR A CE1 1 ATOM 1150 C CE2 . TYR A 1 148 ? 5.618 -7.470 34.031 1.00 70.55 ? 452 TYR A CE2 1 ATOM 1151 C CZ . TYR A 1 148 ? 4.326 -7.759 33.643 1.00 74.77 ? 452 TYR A CZ 1 ATOM 1152 O OH . TYR A 1 148 ? 3.275 -7.009 34.119 1.00 78.30 ? 452 TYR A OH 1 ATOM 1153 N N . ASP A 1 149 ? 9.367 -7.756 31.168 1.00 64.39 ? 453 ASP A N 1 ATOM 1154 C CA . ASP A 1 149 ? 9.718 -6.343 31.169 1.00 66.06 ? 453 ASP A CA 1 ATOM 1155 C C . ASP A 1 149 ? 9.396 -5.701 29.829 1.00 62.69 ? 453 ASP A C 1 ATOM 1156 O O . ASP A 1 149 ? 8.833 -4.612 29.776 1.00 65.07 ? 453 ASP A O 1 ATOM 1157 C CB . ASP A 1 149 ? 11.198 -6.161 31.505 1.00 71.13 ? 453 ASP A CB 1 ATOM 1158 C CG . ASP A 1 149 ? 11.489 -6.370 32.977 1.00 77.83 ? 453 ASP A CG 1 ATOM 1159 O OD1 . ASP A 1 149 ? 10.527 -6.506 33.761 1.00 81.19 ? 453 ASP A OD1 1 ATOM 1160 O OD2 . ASP A 1 149 ? 12.679 -6.389 33.353 1.00 79.31 ? 453 ASP A OD2 1 ATOM 1161 N N . ALA A 1 150 ? 9.742 -6.393 28.748 1.00 57.93 ? 454 ALA A N 1 ATOM 1162 C CA . ALA A 1 150 ? 9.521 -5.879 27.402 1.00 56.86 ? 454 ALA A CA 1 ATOM 1163 C C . ALA A 1 150 ? 8.100 -6.139 26.926 1.00 58.58 ? 454 ALA A C 1 ATOM 1164 O O . ALA A 1 150 ? 7.387 -5.217 26.522 1.00 56.59 ? 454 ALA A O 1 ATOM 1165 C CB . ALA A 1 150 ? 10.515 -6.493 26.435 1.00 53.24 ? 454 ALA A CB 1 ATOM 1166 N N . ASP A 1 151 ? 7.694 -7.403 26.978 1.00 57.82 ? 455 ASP A N 1 ATOM 1167 C CA . ASP A 1 151 ? 6.402 -7.814 26.443 1.00 58.58 ? 455 ASP A CA 1 ATOM 1168 C C . ASP A 1 151 ? 5.221 -7.455 27.333 1.00 53.98 ? 455 ASP A C 1 ATOM 1169 O O . ASP A 1 151 ? 4.201 -6.977 26.841 1.00 50.36 ? 455 ASP A O 1 ATOM 1170 C CB . ASP A 1 151 ? 6.407 -9.310 26.150 1.00 67.13 ? 455 ASP A CB 1 ATOM 1171 C CG . ASP A 1 151 ? 7.230 -9.650 24.937 1.00 75.26 ? 455 ASP A CG 1 ATOM 1172 O OD1 . ASP A 1 151 ? 7.087 -8.937 23.921 1.00 76.54 ? 455 ASP A OD1 1 ATOM 1173 O OD2 . ASP A 1 151 ? 8.017 -10.619 24.999 1.00 79.67 ? 455 ASP A OD2 1 ATOM 1174 N N . GLN A 1 152 ? 5.360 -7.698 28.634 1.00 57.28 ? 456 GLN A N 1 ATOM 1175 C CA . GLN A 1 152 ? 4.315 -7.370 29.600 1.00 62.64 ? 456 GLN A CA 1 ATOM 1176 C C . GLN A 1 152 ? 3.091 -8.278 29.460 1.00 65.31 ? 456 GLN A C 1 ATOM 1177 O O . GLN A 1 152 ? 1.973 -7.889 29.804 1.00 66.30 ? 456 GLN A O 1 ATOM 1178 C CB . GLN A 1 152 ? 3.910 -5.900 29.476 1.00 65.73 ? 456 GLN A CB 1 ATOM 1179 C CG . GLN A 1 152 ? 5.011 -4.926 29.844 1.00 73.41 ? 456 GLN A CG 1 ATOM 1180 C CD . GLN A 1 152 ? 4.895 -4.436 31.271 1.00 84.40 ? 456 GLN A CD 1 ATOM 1181 O OE1 . GLN A 1 152 ? 3.831 -3.984 31.698 1.00 89.81 ? 456 GLN A OE1 1 ATOM 1182 N NE2 . GLN A 1 152 ? 5.994 -4.511 32.016 1.00 86.46 ? 456 GLN A NE2 1 ATOM 1183 N N . LYS A 1 153 ? 3.306 -9.488 28.955 1.00 63.93 ? 457 LYS A N 1 ATOM 1184 C CA . LYS A 1 153 ? 2.227 -10.455 28.818 1.00 63.54 ? 457 LYS A CA 1 ATOM 1185 C C . LYS A 1 153 ? 2.340 -11.477 29.933 1.00 65.33 ? 457 LYS A C 1 ATOM 1186 O O . LYS A 1 153 ? 3.375 -12.121 30.093 1.00 67.65 ? 457 LYS A O 1 ATOM 1187 C CB . LYS A 1 153 ? 2.292 -11.149 27.461 1.00 62.17 ? 457 LYS A CB 1 ATOM 1188 C CG . LYS A 1 153 ? 2.631 -10.219 26.304 1.00 62.24 ? 457 LYS A CG 1 ATOM 1189 C CD . LYS A 1 153 ? 1.582 -9.135 26.107 1.00 63.91 ? 457 LYS A CD 1 ATOM 1190 C CE . LYS A 1 153 ? 0.329 -9.683 25.445 1.00 65.36 ? 457 LYS A CE 1 ATOM 1191 N NZ . LYS A 1 153 ? -0.622 -8.596 25.080 1.00 69.22 ? 457 LYS A NZ 1 ATOM 1192 N N . PHE A 1 154 ? 1.270 -11.623 30.705 1.00 66.07 ? 458 PHE A N 1 ATOM 1193 C CA . PHE A 1 154 ? 1.294 -12.481 31.881 1.00 63.41 ? 458 PHE A CA 1 ATOM 1194 C C . PHE A 1 154 ? 0.065 -13.378 31.939 1.00 64.08 ? 458 PHE A C 1 ATOM 1195 O O . PHE A 1 154 ? -0.900 -13.186 31.193 1.00 60.57 ? 458 PHE A O 1 ATOM 1196 C CB . PHE A 1 154 ? 1.364 -11.629 33.155 1.00 58.89 ? 458 PHE A CB 1 ATOM 1197 C CG . PHE A 1 154 ? 0.078 -10.914 33.480 1.00 58.06 ? 458 PHE A CG 1 ATOM 1198 C CD1 . PHE A 1 154 ? -0.709 -11.328 34.542 1.00 57.30 ? 458 PHE A CD1 1 ATOM 1199 C CD2 . PHE A 1 154 ? -0.350 -9.837 32.721 1.00 61.76 ? 458 PHE A CD2 1 ATOM 1200 C CE1 . PHE A 1 154 ? -1.893 -10.682 34.845 1.00 57.37 ? 458 PHE A CE1 1 ATOM 1201 C CE2 . PHE A 1 154 ? -1.535 -9.185 33.020 1.00 63.90 ? 458 PHE A CE2 1 ATOM 1202 C CZ . PHE A 1 154 ? -2.306 -9.609 34.084 1.00 61.74 ? 458 PHE A CZ 1 ATOM 1203 N N . GLY A 1 155 ? 0.117 -14.357 32.837 1.00 64.55 ? 459 GLY A N 1 ATOM 1204 C CA . GLY A 1 155 ? -1.023 -15.201 33.145 1.00 59.52 ? 459 GLY A CA 1 ATOM 1205 C C . GLY A 1 155 ? -0.982 -15.601 34.607 1.00 57.09 ? 459 GLY A C 1 ATOM 1206 O O . GLY A 1 155 ? 0.023 -15.388 35.290 1.00 54.89 ? 459 GLY A O 1 ATOM 1207 N N . PHE A 1 156 ? -2.070 -16.181 35.100 1.00 56.97 ? 460 PHE A N 1 ATOM 1208 C CA . PHE A 1 156 ? -2.100 -16.644 36.482 1.00 55.44 ? 460 PHE A CA 1 ATOM 1209 C C . PHE A 1 156 ? -1.857 -18.137 36.563 1.00 56.28 ? 460 PHE A C 1 ATOM 1210 O O . PHE A 1 156 ? -2.551 -18.921 35.918 1.00 58.15 ? 460 PHE A O 1 ATOM 1211 C CB . PHE A 1 156 ? -3.420 -16.281 37.162 1.00 52.01 ? 460 PHE A CB 1 ATOM 1212 C CG . PHE A 1 156 ? -3.537 -14.827 37.500 1.00 51.37 ? 460 PHE A CG 1 ATOM 1213 C CD1 . PHE A 1 156 ? -4.492 -14.034 36.888 1.00 53.66 ? 460 PHE A CD1 1 ATOM 1214 C CD2 . PHE A 1 156 ? -2.675 -14.248 38.415 1.00 50.94 ? 460 PHE A CD2 1 ATOM 1215 C CE1 . PHE A 1 156 ? -4.595 -12.695 37.193 1.00 55.64 ? 460 PHE A CE1 1 ATOM 1216 C CE2 . PHE A 1 156 ? -2.771 -12.908 38.725 1.00 52.86 ? 460 PHE A CE2 1 ATOM 1217 C CZ . PHE A 1 156 ? -3.733 -12.130 38.112 1.00 54.56 ? 460 PHE A CZ 1 ATOM 1218 N N . CYS A 1 157 ? -0.865 -18.522 37.357 1.00 57.46 ? 461 CYS A N 1 ATOM 1219 C CA . CYS A 1 157 ? -0.528 -19.926 37.526 1.00 59.18 ? 461 CYS A CA 1 ATOM 1220 C C . CYS A 1 157 ? -1.668 -20.691 38.196 1.00 62.30 ? 461 CYS A C 1 ATOM 1221 O O . CYS A 1 157 ? -2.406 -20.138 39.019 1.00 64.84 ? 461 CYS A O 1 ATOM 1222 C CB . CYS A 1 157 ? 0.750 -20.069 38.350 1.00 57.74 ? 461 CYS A CB 1 ATOM 1223 S SG . CYS A 1 157 ? 2.150 -19.158 37.695 1.00 74.28 ? 461 CYS A SG 1 ATOM 1224 N N . PRO A 1 158 ? -1.815 -21.971 37.837 1.00 56.84 ? 462 PRO A N 1 ATOM 1225 C CA . PRO A 1 158 ? -2.826 -22.866 38.398 1.00 55.10 ? 462 PRO A CA 1 ATOM 1226 C C . PRO A 1 158 ? -2.685 -23.030 39.902 1.00 59.44 ? 462 PRO A C 1 ATOM 1227 O O . PRO A 1 158 ? -1.712 -22.572 40.501 1.00 60.23 ? 462 PRO A O 1 ATOM 1228 C CB . PRO A 1 158 ? -2.526 -24.200 37.711 1.00 48.07 ? 462 PRO A CB 1 ATOM 1229 C CG . PRO A 1 158 ? -1.851 -23.831 36.460 1.00 52.14 ? 462 PRO A CG 1 ATOM 1230 C CD . PRO A 1 158 ? -1.022 -22.632 36.792 1.00 54.78 ? 462 PRO A CD 1 ATOM 1231 N N . MET A 1 159 ? -3.670 -23.693 40.496 1.00 57.99 ? 463 MET A N 1 ATOM 1232 C CA . MET A 1 159 ? -3.669 -23.993 41.913 1.00 57.82 ? 463 MET A CA 1 ATOM 1233 C C . MET A 1 159 ? -4.105 -25.439 42.064 1.00 59.08 ? 463 MET A C 1 ATOM 1234 O O . MET A 1 159 ? -4.926 -25.924 41.282 1.00 54.61 ? 463 MET A O 1 ATOM 1235 C CB . MET A 1 159 ? -4.648 -23.078 42.641 1.00 57.74 ? 463 MET A CB 1 ATOM 1236 C CG . MET A 1 159 ? -4.814 -21.712 42.000 1.00 55.13 ? 463 MET A CG 1 ATOM 1237 S SD . MET A 1 159 ? -5.921 -20.666 42.957 1.00 123.06 ? 463 MET A SD 1 ATOM 1238 C CE . MET A 1 159 ? -5.004 -20.541 44.488 1.00 121.96 ? 463 MET A CE 1 ATOM 1239 N N . ALA A 1 160 ? -3.552 -26.133 43.055 1.00 62.36 ? 464 ALA A N 1 ATOM 1240 C CA . ALA A 1 160 ? -3.921 -27.522 43.290 1.00 62.19 ? 464 ALA A CA 1 ATOM 1241 C C . ALA A 1 160 ? -5.433 -27.609 43.410 1.00 64.64 ? 464 ALA A C 1 ATOM 1242 O O . ALA A 1 160 ? -6.071 -26.713 43.965 1.00 61.13 ? 464 ALA A O 1 ATOM 1243 C CB . ALA A 1 160 ? -3.254 -28.054 44.543 1.00 60.65 ? 464 ALA A CB 1 ATOM 1244 N N . ALA A 1 161 ? -6.003 -28.683 42.877 1.00 65.25 ? 465 ALA A N 1 ATOM 1245 C CA . ALA A 1 161 ? -7.449 -28.858 42.896 1.00 64.01 ? 465 ALA A CA 1 ATOM 1246 C C . ALA A 1 161 ? -8.037 -28.441 44.242 1.00 72.06 ? 465 ALA A C 1 ATOM 1247 O O . ALA A 1 161 ? -8.915 -27.582 44.306 1.00 75.83 ? 465 ALA A O 1 ATOM 1248 C CB . ALA A 1 161 ? -7.816 -30.300 42.571 1.00 58.10 ? 465 ALA A CB 1 ATOM 1249 N N . HIS A 1 162 ? -7.535 -29.038 45.317 1.00 73.46 ? 466 HIS A N 1 ATOM 1250 C CA . HIS A 1 162 ? -8.068 -28.763 46.644 1.00 76.56 ? 466 HIS A CA 1 ATOM 1251 C C . HIS A 1 162 ? -7.920 -27.291 47.049 1.00 77.40 ? 466 HIS A C 1 ATOM 1252 O O . HIS A 1 162 ? -8.634 -26.814 47.930 1.00 78.61 ? 466 HIS A O 1 ATOM 1253 C CB . HIS A 1 162 ? -7.427 -29.685 47.690 1.00 78.60 ? 466 HIS A CB 1 ATOM 1254 C CG . HIS A 1 162 ? -6.036 -29.290 48.079 1.00 78.55 ? 466 HIS A CG 1 ATOM 1255 N ND1 . HIS A 1 162 ? -4.920 -29.716 47.392 1.00 75.77 ? 466 HIS A ND1 1 ATOM 1256 C CD2 . HIS A 1 162 ? -5.582 -28.513 49.091 1.00 77.25 ? 466 HIS A CD2 1 ATOM 1257 C CE1 . HIS A 1 162 ? -3.839 -29.214 47.961 1.00 75.33 ? 466 HIS A CE1 1 ATOM 1258 N NE2 . HIS A 1 162 ? -4.212 -28.481 48.994 1.00 74.38 ? 466 HIS A NE2 1 ATOM 1259 N N . GLU A 1 163 ? -7.006 -26.576 46.396 1.00 74.66 ? 467 GLU A N 1 ATOM 1260 C CA . GLU A 1 163 ? -6.761 -25.168 46.713 1.00 74.03 ? 467 GLU A CA 1 ATOM 1261 C C . GLU A 1 163 ? -7.339 -24.206 45.678 1.00 74.13 ? 467 GLU A C 1 ATOM 1262 O O . GLU A 1 163 ? -7.100 -23.001 45.751 1.00 70.94 ? 467 GLU A O 1 ATOM 1263 C CB . GLU A 1 163 ? -5.264 -24.896 46.869 1.00 72.99 ? 467 GLU A CB 1 ATOM 1264 C CG . GLU A 1 163 ? -4.760 -24.914 48.302 1.00 74.98 ? 467 GLU A CG 1 ATOM 1265 C CD . GLU A 1 163 ? -3.392 -24.265 48.444 1.00 79.61 ? 467 GLU A CD 1 ATOM 1266 O OE1 . GLU A 1 163 ? -2.861 -23.766 47.428 1.00 81.39 ? 467 GLU A OE1 1 ATOM 1267 O OE2 . GLU A 1 163 ? -2.850 -24.248 49.571 1.00 80.56 ? 467 GLU A OE2 1 ATOM 1268 N N . GLU A 1 164 ? -8.090 -24.733 44.715 1.00 73.40 ? 468 GLU A N 1 ATOM 1269 C CA . GLU A 1 164 ? -8.688 -23.889 43.687 1.00 72.54 ? 468 GLU A CA 1 ATOM 1270 C C . GLU A 1 164 ? -9.482 -22.739 44.290 1.00 72.58 ? 468 GLU A C 1 ATOM 1271 O O . GLU A 1 164 ? -9.779 -22.733 45.483 1.00 71.65 ? 468 GLU A O 1 ATOM 1272 C CB . GLU A 1 164 ? -9.598 -24.699 42.771 1.00 75.52 ? 468 GLU A CB 1 ATOM 1273 C CG . GLU A 1 164 ? -8.896 -25.484 41.696 1.00 81.47 ? 468 GLU A CG 1 ATOM 1274 C CD . GLU A 1 164 ? -9.850 -25.890 40.594 1.00 89.56 ? 468 GLU A CD 1 ATOM 1275 O OE1 . GLU A 1 164 ? -10.687 -25.046 40.213 1.00 92.69 ? 468 GLU A OE1 1 ATOM 1276 O OE2 . GLU A 1 164 ? -9.768 -27.040 40.110 1.00 91.54 ? 468 GLU A OE2 1 ATOM 1277 N N . ILE A 1 165 ? -9.843 -21.778 43.447 1.00 72.45 ? 469 ILE A N 1 ATOM 1278 C CA . ILE A 1 165 ? -10.550 -20.586 43.895 1.00 68.00 ? 469 ILE A CA 1 ATOM 1279 C C . ILE A 1 165 ? -11.640 -20.160 42.920 1.00 62.11 ? 469 ILE A C 1 ATOM 1280 O O . ILE A 1 165 ? -11.521 -20.361 41.711 1.00 56.53 ? 469 ILE A O 1 ATOM 1281 C CB . ILE A 1 165 ? -9.572 -19.411 44.094 1.00 70.98 ? 469 ILE A CB 1 ATOM 1282 C CG1 . ILE A 1 165 ? -8.929 -19.484 45.476 1.00 73.61 ? 469 ILE A CG1 1 ATOM 1283 C CG2 . ILE A 1 165 ? -10.278 -18.079 43.930 1.00 73.35 ? 469 ILE A CG2 1 ATOM 1284 C CD1 . ILE A 1 165 ? -8.062 -18.290 45.800 1.00 74.61 ? 469 ILE A CD1 1 ATOM 1285 N N . CYS A 1 166 ? -12.712 -19.590 43.464 1.00 62.66 ? 470 CYS A N 1 ATOM 1286 C CA . CYS A 1 166 ? -13.735 -18.932 42.665 1.00 61.17 ? 470 CYS A CA 1 ATOM 1287 C C . CYS A 1 166 ? -13.857 -17.499 43.157 1.00 69.17 ? 470 CYS A C 1 ATOM 1288 O O . CYS A 1 166 ? -13.932 -17.266 44.361 1.00 68.91 ? 470 CYS A O 1 ATOM 1289 C CB . CYS A 1 166 ? -15.081 -19.639 42.823 1.00 57.90 ? 470 CYS A CB 1 ATOM 1290 S SG . CYS A 1 166 ? -15.149 -21.352 42.265 1.00 58.18 ? 470 CYS A SG 1 ATOM 1291 N N . THR A 1 167 ? -13.878 -16.541 42.236 1.00 79.20 ? 471 THR A N 1 ATOM 1292 C CA . THR A 1 167 ? -14.019 -15.137 42.612 1.00 86.02 ? 471 THR A CA 1 ATOM 1293 C C . THR A 1 167 ? -15.417 -14.605 42.296 1.00 91.98 ? 471 THR A C 1 ATOM 1294 O O . THR A 1 167 ? -15.967 -14.863 41.223 1.00 92.21 ? 471 THR A O 1 ATOM 1295 C CB . THR A 1 167 ? -12.952 -14.246 41.937 1.00 85.35 ? 471 THR A CB 1 ATOM 1296 O OG1 . THR A 1 167 ? -13.194 -14.180 40.527 1.00 87.22 ? 471 THR A OG1 1 ATOM 1297 C CG2 . THR A 1 167 ? -11.558 -14.806 42.178 1.00 85.00 ? 471 THR A CG2 1 ATOM 1298 N N . THR A 1 168 ? -15.990 -13.868 43.244 1.00 95.66 ? 472 THR A N 1 ATOM 1299 C CA . THR A 1 168 ? -17.310 -13.274 43.064 1.00 96.68 ? 472 THR A CA 1 ATOM 1300 C C . THR A 1 168 ? -17.229 -12.169 42.026 1.00 103.16 ? 472 THR A C 1 ATOM 1301 O O . THR A 1 168 ? -16.144 -11.679 41.715 1.00 101.63 ? 472 THR A O 1 ATOM 1302 C CB . THR A 1 168 ? -17.854 -12.682 44.377 1.00 90.64 ? 472 THR A CB 1 ATOM 1303 O OG1 . THR A 1 168 ? -17.349 -11.354 44.552 1.00 89.44 ? 472 THR A OG1 1 ATOM 1304 C CG2 . THR A 1 168 ? -17.442 -13.537 45.557 1.00 87.73 ? 472 THR A CG2 1 ATOM 1305 N N . ASN A 1 169 ? -18.377 -11.775 41.489 1.00 112.40 ? 473 ASN A N 1 ATOM 1306 C CA . ASN A 1 169 ? -18.412 -10.725 40.482 1.00 121.86 ? 473 ASN A CA 1 ATOM 1307 C C . ASN A 1 169 ? -17.787 -9.435 41.009 1.00 125.05 ? 473 ASN A C 1 ATOM 1308 O O . ASN A 1 169 ? -17.126 -8.705 40.269 1.00 125.08 ? 473 ASN A O 1 ATOM 1309 C CB . ASN A 1 169 ? -19.846 -10.479 40.006 1.00 126.03 ? 473 ASN A CB 1 ATOM 1310 C CG . ASN A 1 169 ? -19.901 -9.763 38.668 1.00 128.40 ? 473 ASN A CG 1 ATOM 1311 O OD1 . ASN A 1 169 ? -18.868 -9.405 38.100 1.00 129.29 ? 473 ASN A OD1 1 ATOM 1312 N ND2 . ASN A 1 169 ? -21.110 -9.555 38.157 1.00 128.20 ? 473 ASN A ND2 1 ATOM 1313 N N . GLU A 1 170 ? -17.993 -9.170 42.297 1.00 126.47 ? 474 GLU A N 1 ATOM 1314 C CA . GLU A 1 170 ? -17.422 -7.992 42.943 1.00 128.48 ? 474 GLU A CA 1 ATOM 1315 C C . GLU A 1 170 ? -15.935 -8.173 43.267 1.00 127.56 ? 474 GLU A C 1 ATOM 1316 O O . GLU A 1 170 ? -15.229 -7.197 43.528 1.00 128.37 ? 474 GLU A O 1 ATOM 1317 C CB . GLU A 1 170 ? -18.215 -7.623 44.203 1.00 131.16 ? 474 GLU A CB 1 ATOM 1318 C CG . GLU A 1 170 ? -19.656 -7.204 43.926 1.00 133.98 ? 474 GLU A CG 1 ATOM 1319 C CD . GLU A 1 170 ? -20.369 -6.668 45.159 1.00 134.87 ? 474 GLU A CD 1 ATOM 1320 O OE1 . GLU A 1 170 ? -19.726 -6.557 46.225 1.00 134.91 ? 474 GLU A OE1 1 ATOM 1321 O OE2 . GLU A 1 170 ? -21.576 -6.355 45.058 1.00 133.59 ? 474 GLU A OE2 1 ATOM 1322 N N . GLY A 1 171 ? -15.465 -9.419 43.253 1.00 124.81 ? 475 GLY A N 1 ATOM 1323 C CA . GLY A 1 171 ? -14.043 -9.692 43.378 1.00 119.40 ? 475 GLY A CA 1 ATOM 1324 C C . GLY A 1 171 ? -13.595 -10.598 44.514 1.00 114.38 ? 475 GLY A C 1 ATOM 1325 O O . GLY A 1 171 ? -12.451 -11.050 44.527 1.00 113.84 ? 475 GLY A O 1 ATOM 1326 N N . VAL A 1 172 ? -14.482 -10.866 45.468 1.00 111.28 ? 476 VAL A N 1 ATOM 1327 C CA . VAL A 1 172 ? -14.136 -11.694 46.625 1.00 108.26 ? 476 VAL A CA 1 ATOM 1328 C C . VAL A 1 172 ? -13.761 -13.121 46.220 1.00 107.02 ? 476 VAL A C 1 ATOM 1329 O O . VAL A 1 172 ? -14.280 -13.650 45.238 1.00 109.80 ? 476 VAL A O 1 ATOM 1330 C CB . VAL A 1 172 ? -15.290 -11.746 47.638 1.00 107.00 ? 476 VAL A CB 1 ATOM 1331 C CG1 . VAL A 1 172 ? -14.873 -12.514 48.882 1.00 105.26 ? 476 VAL A CG1 1 ATOM 1332 C CG2 . VAL A 1 172 ? -15.735 -10.341 48.000 1.00 110.41 ? 476 VAL A CG2 1 ATOM 1333 N N . MET A 1 173 ? -12.865 -13.742 46.982 1.00 100.51 ? 477 MET A N 1 ATOM 1334 C CA . MET A 1 173 ? -12.384 -15.083 46.659 1.00 93.20 ? 477 MET A CA 1 ATOM 1335 C C . MET A 1 173 ? -12.992 -16.168 47.543 1.00 88.60 ? 477 MET A C 1 ATOM 1336 O O . MET A 1 173 ? -13.016 -16.049 48.765 1.00 90.71 ? 477 MET A O 1 ATOM 1337 C CB . MET A 1 173 ? -10.858 -15.136 46.734 1.00 91.21 ? 477 MET A CB 1 ATOM 1338 C CG . MET A 1 173 ? -10.173 -14.269 45.695 1.00 91.46 ? 477 MET A CG 1 ATOM 1339 S SD . MET A 1 173 ? -8.376 -14.348 45.780 1.00 109.93 ? 477 MET A SD 1 ATOM 1340 C CE . MET A 1 173 ? -7.942 -13.442 44.297 1.00 81.03 ? 477 MET A CE 1 ATOM 1341 N N . TYR A 1 174 ? -13.478 -17.229 46.910 1.00 82.24 ? 478 TYR A N 1 ATOM 1342 C CA . TYR A 1 174 ? -14.066 -18.354 47.621 1.00 76.12 ? 478 TYR A CA 1 ATOM 1343 C C . TYR A 1 174 ? -13.306 -19.623 47.267 1.00 74.10 ? 478 TYR A C 1 ATOM 1344 O O . TYR A 1 174 ? -12.718 -19.718 46.189 1.00 72.24 ? 478 TYR A O 1 ATOM 1345 C CB . TYR A 1 174 ? -15.540 -18.507 47.244 1.00 74.09 ? 478 TYR A CB 1 ATOM 1346 C CG . TYR A 1 174 ? -16.467 -17.561 47.975 1.00 75.01 ? 478 TYR A CG 1 ATOM 1347 C CD1 . TYR A 1 174 ? -17.276 -18.016 49.008 1.00 76.05 ? 478 TYR A CD1 1 ATOM 1348 C CD2 . TYR A 1 174 ? -16.533 -16.215 47.638 1.00 73.65 ? 478 TYR A CD2 1 ATOM 1349 C CE1 . TYR A 1 174 ? -18.127 -17.163 49.681 1.00 75.02 ? 478 TYR A CE1 1 ATOM 1350 C CE2 . TYR A 1 174 ? -17.380 -15.353 48.310 1.00 74.21 ? 478 TYR A CE2 1 ATOM 1351 C CZ . TYR A 1 174 ? -18.173 -15.835 49.331 1.00 74.56 ? 478 TYR A CZ 1 ATOM 1352 O OH . TYR A 1 174 ? -19.020 -14.989 50.006 1.00 73.74 ? 478 TYR A OH 1 ATOM 1353 N N . ARG A 1 175 ? -13.309 -20.594 48.174 1.00 71.67 ? 479 ARG A N 1 ATOM 1354 C CA . ARG A 1 175 ? -12.660 -21.872 47.906 1.00 70.42 ? 479 ARG A CA 1 ATOM 1355 C C . ARG A 1 175 ? -13.673 -22.931 47.495 1.00 61.75 ? 479 ARG A C 1 ATOM 1356 O O . ARG A 1 175 ? -14.879 -22.704 47.542 1.00 57.55 ? 479 ARG A O 1 ATOM 1357 C CB . ARG A 1 175 ? -11.845 -22.345 49.112 1.00 78.40 ? 479 ARG A CB 1 ATOM 1358 C CG . ARG A 1 175 ? -10.599 -21.514 49.383 1.00 86.97 ? 479 ARG A CG 1 ATOM 1359 C CD . ARG A 1 175 ? -9.661 -22.209 50.366 1.00 96.85 ? 479 ARG A CD 1 ATOM 1360 N NE . ARG A 1 175 ? -9.160 -23.480 49.843 1.00 103.08 ? 479 ARG A NE 1 ATOM 1361 C CZ . ARG A 1 175 ? -8.308 -24.273 50.489 1.00 105.61 ? 479 ARG A CZ 1 ATOM 1362 N NH1 . ARG A 1 175 ? -7.855 -23.931 51.688 1.00 104.00 ? 479 ARG A NH1 1 ATOM 1363 N NH2 . ARG A 1 175 ? -7.908 -25.410 49.934 1.00 106.45 ? 479 ARG A NH2 1 ATOM 1364 N N . ILE A 1 176 ? -13.169 -24.088 47.090 1.00 60.05 ? 480 ILE A N 1 ATOM 1365 C CA . ILE A 1 176 ? -14.015 -25.161 46.594 1.00 60.92 ? 480 ILE A CA 1 ATOM 1366 C C . ILE A 1 176 ? -15.022 -25.600 47.647 1.00 61.22 ? 480 ILE A C 1 ATOM 1367 O O . ILE A 1 176 ? -14.679 -25.758 48.817 1.00 65.78 ? 480 ILE A O 1 ATOM 1368 C CB . ILE A 1 176 ? -13.169 -26.361 46.153 1.00 62.92 ? 480 ILE A CB 1 ATOM 1369 C CG1 . ILE A 1 176 ? -11.994 -25.869 45.318 1.00 68.44 ? 480 ILE A CG1 1 ATOM 1370 C CG2 . ILE A 1 176 ? -14.009 -27.345 45.361 1.00 60.44 ? 480 ILE A CG2 1 ATOM 1371 C CD1 . ILE A 1 176 ? -12.421 -24.909 44.232 1.00 73.39 ? 480 ILE A CD1 1 ATOM 1372 N N . GLY A 1 177 ? -16.267 -25.785 47.225 1.00 56.58 ? 481 GLY A N 1 ATOM 1373 C CA . GLY A 1 177 ? -17.311 -26.229 48.124 1.00 55.95 ? 481 GLY A CA 1 ATOM 1374 C C . GLY A 1 177 ? -18.005 -25.083 48.827 1.00 62.95 ? 481 GLY A C 1 ATOM 1375 O O . GLY A 1 177 ? -19.120 -25.243 49.322 1.00 68.72 ? 481 GLY A O 1 ATOM 1376 N N . ASP A 1 178 ? -17.348 -23.928 48.880 1.00 62.60 ? 482 ASP A N 1 ATOM 1377 C CA . ASP A 1 178 ? -17.945 -22.745 49.490 1.00 64.52 ? 482 ASP A CA 1 ATOM 1378 C C . ASP A 1 178 ? -19.198 -22.326 48.733 1.00 69.28 ? 482 ASP A C 1 ATOM 1379 O O . ASP A 1 178 ? -19.293 -22.514 47.519 1.00 69.34 ? 482 ASP A O 1 ATOM 1380 C CB . ASP A 1 178 ? -16.958 -21.581 49.498 1.00 63.66 ? 482 ASP A CB 1 ATOM 1381 C CG . ASP A 1 178 ? -15.831 -21.776 50.483 1.00 64.31 ? 482 ASP A CG 1 ATOM 1382 O OD1 . ASP A 1 178 ? -15.800 -22.823 51.158 1.00 67.38 ? 482 ASP A OD1 1 ATOM 1383 O OD2 . ASP A 1 178 ? -14.975 -20.876 50.584 1.00 61.83 ? 482 ASP A OD2 1 ATOM 1384 N N . GLN A 1 179 ? -20.157 -21.750 49.447 1.00 72.42 ? 483 GLN A N 1 ATOM 1385 C CA . GLN A 1 179 ? -21.364 -21.258 48.800 1.00 76.10 ? 483 GLN A CA 1 ATOM 1386 C C . GLN A 1 179 ? -21.498 -19.751 48.923 1.00 80.46 ? 483 GLN A C 1 ATOM 1387 O O . GLN A 1 179 ? -21.332 -19.183 50.000 1.00 84.59 ? 483 GLN A O 1 ATOM 1388 C CB . GLN A 1 179 ? -22.611 -21.947 49.350 1.00 76.43 ? 483 GLN A CB 1 ATOM 1389 C CG . GLN A 1 179 ? -22.690 -23.429 49.031 1.00 78.42 ? 483 GLN A CG 1 ATOM 1390 C CD . GLN A 1 179 ? -24.013 -24.039 49.446 1.00 83.22 ? 483 GLN A CD 1 ATOM 1391 O OE1 . GLN A 1 179 ? -25.023 -23.341 49.568 1.00 85.93 ? 483 GLN A OE1 1 ATOM 1392 N NE2 . GLN A 1 179 ? -24.016 -25.349 49.665 1.00 82.88 ? 483 GLN A NE2 1 ATOM 1393 N N . TRP A 1 180 ? -21.796 -19.116 47.797 1.00 80.15 ? 484 TRP A N 1 ATOM 1394 C CA . TRP A 1 180 ? -22.051 -17.689 47.744 1.00 80.15 ? 484 TRP A CA 1 ATOM 1395 C C . TRP A 1 180 ? -23.559 -17.481 47.642 1.00 79.65 ? 484 TRP A C 1 ATOM 1396 O O . TRP A 1 180 ? -24.233 -18.164 46.878 1.00 73.72 ? 484 TRP A O 1 ATOM 1397 C CB . TRP A 1 180 ? -21.333 -17.091 46.535 1.00 82.32 ? 484 TRP A CB 1 ATOM 1398 C CG . TRP A 1 180 ? -21.592 -15.636 46.308 1.00 89.85 ? 484 TRP A CG 1 ATOM 1399 C CD1 . TRP A 1 180 ? -20.856 -14.586 46.778 1.00 90.73 ? 484 TRP A CD1 1 ATOM 1400 C CD2 . TRP A 1 180 ? -22.658 -15.066 45.540 1.00 96.52 ? 484 TRP A CD2 1 ATOM 1401 N NE1 . TRP A 1 180 ? -21.402 -13.398 46.354 1.00 92.80 ? 484 TRP A NE1 1 ATOM 1402 C CE2 . TRP A 1 180 ? -22.509 -13.665 45.591 1.00 96.95 ? 484 TRP A CE2 1 ATOM 1403 C CE3 . TRP A 1 180 ? -23.728 -15.604 44.817 1.00 96.91 ? 484 TRP A CE3 1 ATOM 1404 C CZ2 . TRP A 1 180 ? -23.389 -12.798 44.946 1.00 99.10 ? 484 TRP A CZ2 1 ATOM 1405 C CZ3 . TRP A 1 180 ? -24.600 -14.742 44.178 1.00 96.26 ? 484 TRP A CZ3 1 ATOM 1406 C CH2 . TRP A 1 180 ? -24.424 -13.355 44.244 1.00 97.43 ? 484 TRP A CH2 1 ATOM 1407 N N . ASP A 1 181 ? -24.092 -16.548 48.421 1.00 88.92 ? 485 ASP A N 1 ATOM 1408 C CA . ASP A 1 181 ? -25.537 -16.353 48.472 1.00 101.59 ? 485 ASP A CA 1 ATOM 1409 C C . ASP A 1 181 ? -25.921 -14.887 48.289 1.00 115.18 ? 485 ASP A C 1 ATOM 1410 O O . ASP A 1 181 ? -25.325 -14.002 48.902 1.00 118.87 ? 485 ASP A O 1 ATOM 1411 C CB . ASP A 1 181 ? -26.092 -16.891 49.795 1.00 101.71 ? 485 ASP A CB 1 ATOM 1412 C CG . ASP A 1 181 ? -27.607 -16.837 49.865 1.00 103.91 ? 485 ASP A CG 1 ATOM 1413 O OD1 . ASP A 1 181 ? -28.204 -15.875 49.341 1.00 105.50 ? 485 ASP A OD1 1 ATOM 1414 O OD2 . ASP A 1 181 ? -28.203 -17.760 50.456 1.00 105.26 ? 485 ASP A OD2 1 ATOM 1415 N N . LYS A 1 182 ? -26.915 -14.640 47.440 1.00 125.37 ? 486 LYS A N 1 ATOM 1416 C CA . LYS A 1 182 ? -27.457 -13.297 47.257 1.00 135.23 ? 486 LYS A CA 1 ATOM 1417 C C . LYS A 1 182 ? -28.975 -13.298 47.410 1.00 141.15 ? 486 LYS A C 1 ATOM 1418 O O . LYS A 1 182 ? -29.669 -14.144 46.846 1.00 140.83 ? 486 LYS A O 1 ATOM 1419 C CB . LYS A 1 182 ? -27.061 -12.732 45.892 1.00 137.91 ? 486 LYS A CB 1 ATOM 1420 C CG . LYS A 1 182 ? -27.368 -11.251 45.716 1.00 142.20 ? 486 LYS A CG 1 ATOM 1421 C CD . LYS A 1 182 ? -26.667 -10.688 44.486 1.00 144.31 ? 486 LYS A CD 1 ATOM 1422 C CE . LYS A 1 182 ? -26.837 -9.178 44.388 1.00 146.74 ? 486 LYS A CE 1 ATOM 1423 N NZ . LYS A 1 182 ? -26.066 -8.604 43.249 1.00 146.19 ? 486 LYS A NZ 1 ATOM 1424 N N . GLN A 1 183 ? -29.484 -12.343 48.179 1.00 148.25 ? 487 GLN A N 1 ATOM 1425 C CA . GLN A 1 183 ? -30.911 -12.259 48.458 1.00 156.38 ? 487 GLN A CA 1 ATOM 1426 C C . GLN A 1 183 ? -31.476 -10.927 47.981 1.00 163.30 ? 487 GLN A C 1 ATOM 1427 O O . GLN A 1 183 ? -31.004 -9.865 48.383 1.00 164.88 ? 487 GLN A O 1 ATOM 1428 C CB . GLN A 1 183 ? -31.162 -12.423 49.957 1.00 158.75 ? 487 GLN A CB 1 ATOM 1429 C CG . GLN A 1 183 ? -30.604 -13.709 50.539 1.00 158.87 ? 487 GLN A CG 1 ATOM 1430 C CD . GLN A 1 183 ? -30.127 -13.543 51.968 1.00 159.02 ? 487 GLN A CD 1 ATOM 1431 O OE1 . GLN A 1 183 ? -29.984 -12.425 52.459 1.00 160.17 ? 487 GLN A OE1 1 ATOM 1432 N NE2 . GLN A 1 183 ? -29.871 -14.660 52.640 1.00 157.46 ? 487 GLN A NE2 1 ATOM 1433 N N . HIS A 1 184 ? -32.485 -10.991 47.119 1.00 166.98 ? 488 HIS A N 1 ATOM 1434 C CA . HIS A 1 184 ? -33.142 -9.789 46.623 1.00 171.53 ? 488 HIS A CA 1 ATOM 1435 C C . HIS A 1 184 ? -34.649 -9.840 46.858 1.00 176.77 ? 488 HIS A C 1 ATOM 1436 O O . HIS A 1 184 ? -35.426 -10.011 45.921 1.00 176.91 ? 488 HIS A O 1 ATOM 1437 C CB . HIS A 1 184 ? -32.835 -9.585 45.134 1.00 168.96 ? 488 HIS A CB 1 ATOM 1438 C CG . HIS A 1 184 ? -31.697 -8.646 44.870 1.00 166.08 ? 488 HIS A CG 1 ATOM 1439 N ND1 . HIS A 1 184 ? -31.878 -7.371 44.375 1.00 165.89 ? 488 HIS A ND1 1 ATOM 1440 C CD2 . HIS A 1 184 ? -30.361 -8.796 45.033 1.00 163.53 ? 488 HIS A CD2 1 ATOM 1441 C CE1 . HIS A 1 184 ? -30.704 -6.779 44.243 1.00 164.93 ? 488 HIS A CE1 1 ATOM 1442 N NE2 . HIS A 1 184 ? -29.767 -7.622 44.637 1.00 163.47 ? 488 HIS A NE2 1 ATOM 1443 N N . ASP A 1 185 ? -35.043 -9.706 48.122 1.00 182.75 ? 489 ASP A N 1 ATOM 1444 C CA . ASP A 1 185 ? -36.449 -9.626 48.508 1.00 189.87 ? 489 ASP A CA 1 ATOM 1445 C C . ASP A 1 185 ? -37.140 -10.993 48.500 1.00 192.64 ? 489 ASP A C 1 ATOM 1446 O O . ASP A 1 185 ? -38.347 -11.082 48.714 1.00 194.63 ? 489 ASP A O 1 ATOM 1447 C CB . ASP A 1 185 ? -37.194 -8.637 47.604 1.00 193.93 ? 489 ASP A CB 1 ATOM 1448 C CG . ASP A 1 185 ? -38.556 -8.248 48.157 1.00 196.99 ? 489 ASP A CG 1 ATOM 1449 O OD1 . ASP A 1 185 ? -38.916 -8.710 49.268 1.00 197.12 ? 489 ASP A OD1 1 ATOM 1450 O OD2 . ASP A 1 185 ? -39.268 -7.470 47.484 1.00 198.91 ? 489 ASP A OD2 1 ATOM 1451 N N . MET A 1 186 ? -36.362 -12.048 48.267 1.00 191.84 ? 490 MET A N 1 ATOM 1452 C CA . MET A 1 186 ? -36.882 -13.410 48.099 1.00 190.79 ? 490 MET A CA 1 ATOM 1453 C C . MET A 1 186 ? -37.611 -13.567 46.766 1.00 190.81 ? 490 MET A C 1 ATOM 1454 O O . MET A 1 186 ? -37.757 -14.678 46.260 1.00 190.05 ? 490 MET A O 1 ATOM 1455 C CB . MET A 1 186 ? -37.791 -13.834 49.260 1.00 191.13 ? 490 MET A CB 1 ATOM 1456 C CG . MET A 1 186 ? -39.279 -13.613 49.003 1.00 192.67 ? 490 MET A CG 1 ATOM 1457 S SD . MET A 1 186 ? -40.364 -14.383 50.221 1.00 205.59 ? 490 MET A SD 1 ATOM 1458 C CE . MET A 1 186 ? -40.529 -16.032 49.542 1.00 111.48 ? 490 MET A CE 1 ATOM 1459 N N . GLY A 1 187 ? -38.076 -12.452 46.209 1.00 190.25 ? 491 GLY A N 1 ATOM 1460 C CA . GLY A 1 187 ? -38.669 -12.460 44.885 1.00 186.27 ? 491 GLY A CA 1 ATOM 1461 C C . GLY A 1 187 ? -37.658 -13.040 43.920 1.00 180.08 ? 491 GLY A C 1 ATOM 1462 O O . GLY A 1 187 ? -38.003 -13.763 42.987 1.00 179.72 ? 491 GLY A O 1 ATOM 1463 N N . HIS A 1 188 ? -36.393 -12.711 44.161 1.00 175.33 ? 492 HIS A N 1 ATOM 1464 C CA . HIS A 1 188 ? -35.278 -13.294 43.430 1.00 170.09 ? 492 HIS A CA 1 ATOM 1465 C C . HIS A 1 188 ? -34.198 -13.716 44.421 1.00 160.27 ? 492 HIS A C 1 ATOM 1466 O O . HIS A 1 188 ? -33.709 -12.895 45.198 1.00 161.50 ? 492 HIS A O 1 ATOM 1467 C CB . HIS A 1 188 ? -34.708 -12.290 42.424 1.00 175.39 ? 492 HIS A CB 1 ATOM 1468 C CG . HIS A 1 188 ? -35.697 -11.823 41.403 1.00 179.32 ? 492 HIS A CG 1 ATOM 1469 N ND1 . HIS A 1 188 ? -35.902 -12.479 40.204 1.00 179.58 ? 492 HIS A ND1 1 ATOM 1470 C CD2 . HIS A 1 188 ? -36.536 -10.760 41.391 1.00 182.04 ? 492 HIS A CD2 1 ATOM 1471 C CE1 . HIS A 1 188 ? -36.824 -11.844 39.508 1.00 181.17 ? 492 HIS A CE1 1 ATOM 1472 N NE2 . HIS A 1 188 ? -37.227 -10.795 40.205 1.00 182.95 ? 492 HIS A NE2 1 ATOM 1473 N N . MET A 1 189 ? -33.838 -14.995 44.402 1.00 147.93 ? 493 MET A N 1 ATOM 1474 C CA . MET A 1 189 ? -32.763 -15.492 45.251 1.00 135.84 ? 493 MET A CA 1 ATOM 1475 C C . MET A 1 189 ? -31.844 -16.411 44.457 1.00 125.47 ? 493 MET A C 1 ATOM 1476 O O . MET A 1 189 ? -32.300 -17.209 43.641 1.00 124.64 ? 493 MET A O 1 ATOM 1477 C CB . MET A 1 189 ? -33.319 -16.237 46.464 1.00 132.97 ? 493 MET A CB 1 ATOM 1478 C CG . MET A 1 189 ? -33.903 -17.596 46.131 1.00 130.03 ? 493 MET A CG 1 ATOM 1479 S SD . MET A 1 189 ? -33.780 -18.736 47.517 1.00 173.41 ? 493 MET A SD 1 ATOM 1480 C CE . MET A 1 189 ? -32.023 -18.658 47.854 1.00 130.95 ? 493 MET A CE 1 ATOM 1481 N N . MET A 1 190 ? -30.544 -16.296 44.701 1.00 115.71 ? 494 MET A N 1 ATOM 1482 C CA . MET A 1 190 ? -29.559 -17.080 43.969 1.00 102.23 ? 494 MET A CA 1 ATOM 1483 C C . MET A 1 190 ? -28.434 -17.568 44.871 1.00 93.44 ? 494 MET A C 1 ATOM 1484 O O . MET A 1 190 ? -27.798 -16.775 45.561 1.00 90.67 ? 494 MET A O 1 ATOM 1485 C CB . MET A 1 190 ? -28.977 -16.257 42.818 1.00 101.17 ? 494 MET A CB 1 ATOM 1486 C CG . MET A 1 190 ? -27.680 -16.817 42.262 1.00 101.79 ? 494 MET A CG 1 ATOM 1487 S SD . MET A 1 190 ? -27.194 -16.089 40.685 1.00 90.82 ? 494 MET A SD 1 ATOM 1488 C CE . MET A 1 190 ? -28.360 -16.864 39.572 1.00 287.10 ? 494 MET A CE 1 ATOM 1489 N N . ARG A 1 191 ? -28.195 -18.876 44.862 1.00 90.53 ? 495 ARG A N 1 ATOM 1490 C CA . ARG A 1 191 ? -27.066 -19.455 45.582 1.00 88.32 ? 495 ARG A CA 1 ATOM 1491 C C . ARG A 1 191 ? -26.081 -20.102 44.613 1.00 78.70 ? 495 ARG A C 1 ATOM 1492 O O . ARG A 1 191 ? -26.468 -20.864 43.731 1.00 75.74 ? 495 ARG A O 1 ATOM 1493 C CB . ARG A 1 191 ? -27.547 -20.476 46.614 1.00 98.27 ? 495 ARG A CB 1 ATOM 1494 C CG . ARG A 1 191 ? -28.241 -19.849 47.810 1.00 113.12 ? 495 ARG A CG 1 ATOM 1495 C CD . ARG A 1 191 ? -28.973 -20.887 48.646 1.00 124.50 ? 495 ARG A CD 1 ATOM 1496 N NE . ARG A 1 191 ? -29.754 -20.271 49.718 1.00 132.87 ? 495 ARG A NE 1 ATOM 1497 C CZ . ARG A 1 191 ? -29.453 -20.355 51.011 1.00 136.51 ? 495 ARG A CZ 1 ATOM 1498 N NH1 . ARG A 1 191 ? -28.386 -21.037 51.408 1.00 136.85 ? 495 ARG A NH1 1 ATOM 1499 N NH2 . ARG A 1 191 ? -30.225 -19.759 51.911 1.00 137.99 ? 495 ARG A NH2 1 ATOM 1500 N N . CYS A 1 192 ? -24.803 -19.789 44.781 1.00 71.87 ? 496 CYS A N 1 ATOM 1501 C CA . CYS A 1 192 ? -23.772 -20.316 43.899 1.00 66.61 ? 496 CYS A CA 1 ATOM 1502 C C . CYS A 1 192 ? -22.767 -21.158 44.664 1.00 64.87 ? 496 CYS A C 1 ATOM 1503 O O . CYS A 1 192 ? -22.445 -20.862 45.812 1.00 63.96 ? 496 CYS A O 1 ATOM 1504 C CB . CYS A 1 192 ? -23.050 -19.174 43.192 1.00 66.27 ? 496 CYS A CB 1 ATOM 1505 S SG . CYS A 1 192 ? -24.094 -18.254 42.058 1.00 93.22 ? 496 CYS A SG 1 ATOM 1506 N N . THR A 1 193 ? -22.268 -22.209 44.022 1.00 64.99 ? 497 THR A N 1 ATOM 1507 C CA . THR A 1 193 ? -21.268 -23.068 44.646 1.00 63.29 ? 497 THR A CA 1 ATOM 1508 C C . THR A 1 193 ? -19.954 -23.014 43.887 1.00 61.08 ? 497 THR A C 1 ATOM 1509 O O . THR A 1 193 ? -19.933 -23.077 42.660 1.00 64.60 ? 497 THR A O 1 ATOM 1510 C CB . THR A 1 193 ? -21.738 -24.529 44.734 1.00 62.45 ? 497 THR A CB 1 ATOM 1511 O OG1 . THR A 1 193 ? -22.991 -24.583 45.427 1.00 69.83 ? 497 THR A OG1 1 ATOM 1512 C CG2 . THR A 1 193 ? -20.711 -25.378 45.477 1.00 56.94 ? 497 THR A CG2 1 ATOM 1513 N N . CYS A 1 194 ? -18.857 -22.895 44.624 1.00 57.02 ? 498 CYS A N 1 ATOM 1514 C CA . CYS A 1 194 ? -17.547 -22.831 44.000 1.00 56.15 ? 498 CYS A CA 1 ATOM 1515 C C . CYS A 1 194 ? -17.057 -24.221 43.626 1.00 56.39 ? 498 CYS A C 1 ATOM 1516 O O . CYS A 1 194 ? -16.521 -24.945 44.456 1.00 57.45 ? 498 CYS A O 1 ATOM 1517 C CB . CYS A 1 194 ? -16.533 -22.145 44.913 1.00 59.12 ? 498 CYS A CB 1 ATOM 1518 S SG . CYS A 1 194 ? -14.893 -21.968 44.176 1.00 63.67 ? 498 CYS A SG 1 ATOM 1519 N N . VAL A 1 195 ? -17.240 -24.594 42.369 1.00 59.64 ? 499 VAL A N 1 ATOM 1520 C CA . VAL A 1 195 ? -16.758 -25.882 41.899 1.00 63.91 ? 499 VAL A CA 1 ATOM 1521 C C . VAL A 1 195 ? -15.324 -25.770 41.393 1.00 66.40 ? 499 VAL A C 1 ATOM 1522 O O . VAL A 1 195 ? -14.509 -26.667 41.602 1.00 65.36 ? 499 VAL A O 1 ATOM 1523 C CB . VAL A 1 195 ? -17.670 -26.452 40.805 1.00 63.15 ? 499 VAL A CB 1 ATOM 1524 C CG1 . VAL A 1 195 ? -17.038 -27.679 40.170 1.00 64.49 ? 499 VAL A CG1 1 ATOM 1525 C CG2 . VAL A 1 195 ? -19.038 -26.781 41.392 1.00 58.94 ? 499 VAL A CG2 1 ATOM 1526 N N . GLY A 1 196 ? -15.015 -24.659 40.735 1.00 69.84 ? 500 GLY A N 1 ATOM 1527 C CA . GLY A 1 196 ? -13.669 -24.416 40.251 1.00 72.17 ? 500 GLY A CA 1 ATOM 1528 C C . GLY A 1 196 ? -13.385 -25.016 38.887 1.00 73.26 ? 500 GLY A C 1 ATOM 1529 O O . GLY A 1 196 ? -13.289 -24.295 37.894 1.00 70.31 ? 500 GLY A O 1 ATOM 1530 N N . ASN A 1 197 ? -13.250 -26.340 38.839 1.00 76.51 ? 501 ASN A N 1 ATOM 1531 C CA . ASN A 1 197 ? -12.893 -27.045 37.606 1.00 80.44 ? 501 ASN A CA 1 ATOM 1532 C C . ASN A 1 197 ? -11.720 -26.414 36.868 1.00 84.88 ? 501 ASN A C 1 ATOM 1533 O O . ASN A 1 197 ? -11.652 -26.447 35.640 1.00 85.72 ? 501 ASN A O 1 ATOM 1534 C CB . ASN A 1 197 ? -14.095 -27.175 36.671 1.00 81.62 ? 501 ASN A CB 1 ATOM 1535 C CG . ASN A 1 197 ? -15.040 -28.279 37.096 1.00 87.55 ? 501 ASN A CG 1 ATOM 1536 O OD1 . ASN A 1 197 ? -14.731 -29.061 37.996 1.00 87.69 ? 501 ASN A OD1 1 ATOM 1537 N ND2 . ASN A 1 197 ? -16.198 -28.350 36.451 1.00 90.86 ? 501 ASN A ND2 1 ATOM 1538 N N . GLY A 1 198 ? -10.795 -25.845 37.631 1.00 84.96 ? 502 GLY A N 1 ATOM 1539 C CA . GLY A 1 198 ? -9.630 -25.203 37.059 1.00 79.67 ? 502 GLY A CA 1 ATOM 1540 C C . GLY A 1 198 ? -9.941 -23.813 36.548 1.00 78.00 ? 502 GLY A C 1 ATOM 1541 O O . GLY A 1 198 ? -9.054 -22.982 36.447 1.00 77.53 ? 502 GLY A O 1 ATOM 1542 N N . ARG A 1 199 ? -11.203 -23.546 36.239 1.00 79.32 ? 503 ARG A N 1 ATOM 1543 C CA . ARG A 1 199 ? -11.553 -22.277 35.613 1.00 82.00 ? 503 ARG A CA 1 ATOM 1544 C C . ARG A 1 199 ? -12.264 -21.307 36.564 1.00 78.01 ? 503 ARG A C 1 ATOM 1545 O O . ARG A 1 199 ? -12.883 -20.335 36.128 1.00 73.64 ? 503 ARG A O 1 ATOM 1546 C CB . ARG A 1 199 ? -12.386 -22.529 34.355 1.00 88.85 ? 503 ARG A CB 1 ATOM 1547 C CG . ARG A 1 199 ? -12.225 -21.469 33.281 1.00 97.97 ? 503 ARG A CG 1 ATOM 1548 C CD . ARG A 1 199 ? -12.573 -22.035 31.917 1.00 104.38 ? 503 ARG A CD 1 ATOM 1549 N NE . ARG A 1 199 ? -12.589 -21.011 30.877 1.00 109.79 ? 503 ARG A NE 1 ATOM 1550 C CZ . ARG A 1 199 ? -12.525 -21.273 29.575 1.00 113.37 ? 503 ARG A CZ 1 ATOM 1551 N NH1 . ARG A 1 199 ? -12.427 -22.527 29.152 1.00 113.80 ? 503 ARG A NH1 1 ATOM 1552 N NH2 . ARG A 1 199 ? -12.549 -20.282 28.694 1.00 113.90 ? 503 ARG A NH2 1 ATOM 1553 N N . GLY A 1 200 ? -12.157 -21.568 37.864 1.00 74.87 ? 504 GLY A N 1 ATOM 1554 C CA . GLY A 1 200 ? -12.793 -20.728 38.862 1.00 69.41 ? 504 GLY A CA 1 ATOM 1555 C C . GLY A 1 200 ? -14.296 -20.796 38.713 1.00 64.81 ? 504 GLY A C 1 ATOM 1556 O O . GLY A 1 200 ? -15.006 -19.816 38.932 1.00 68.52 ? 504 GLY A O 1 ATOM 1557 N N . GLU A 1 201 ? -14.774 -21.983 38.358 1.00 58.43 ? 505 GLU A N 1 ATOM 1558 C CA . GLU A 1 201 ? -16.160 -22.188 37.961 1.00 59.00 ? 505 GLU A CA 1 ATOM 1559 C C . GLU A 1 201 ? -17.188 -22.142 39.091 1.00 59.09 ? 505 GLU A C 1 ATOM 1560 O O . GLU A 1 201 ? -16.971 -22.664 40.185 1.00 55.27 ? 505 GLU A O 1 ATOM 1561 C CB . GLU A 1 201 ? -16.283 -23.509 37.202 1.00 63.17 ? 505 GLU A CB 1 ATOM 1562 C CG . GLU A 1 201 ? -17.684 -23.839 36.740 1.00 70.11 ? 505 GLU A CG 1 ATOM 1563 C CD . GLU A 1 201 ? -17.728 -25.106 35.918 1.00 76.12 ? 505 GLU A CD 1 ATOM 1564 O OE1 . GLU A 1 201 ? -16.646 -25.609 35.552 1.00 80.16 ? 505 GLU A OE1 1 ATOM 1565 O OE2 . GLU A 1 201 ? -18.840 -25.598 35.636 1.00 77.54 ? 505 GLU A OE2 1 ATOM 1566 N N . TRP A 1 202 ? -18.318 -21.513 38.789 1.00 60.54 ? 506 TRP A N 1 ATOM 1567 C CA . TRP A 1 202 ? -19.471 -21.480 39.670 1.00 58.91 ? 506 TRP A CA 1 ATOM 1568 C C . TRP A 1 202 ? -20.600 -22.310 39.072 1.00 59.05 ? 506 TRP A C 1 ATOM 1569 O O . TRP A 1 202 ? -20.791 -22.320 37.857 1.00 61.89 ? 506 TRP A O 1 ATOM 1570 C CB . TRP A 1 202 ? -19.969 -20.046 39.820 1.00 61.30 ? 506 TRP A CB 1 ATOM 1571 C CG . TRP A 1 202 ? -19.079 -19.149 40.609 1.00 65.80 ? 506 TRP A CG 1 ATOM 1572 C CD1 . TRP A 1 202 ? -18.158 -18.268 40.123 1.00 66.62 ? 506 TRP A CD1 1 ATOM 1573 C CD2 . TRP A 1 202 ? -19.039 -19.027 42.032 1.00 68.45 ? 506 TRP A CD2 1 ATOM 1574 N NE1 . TRP A 1 202 ? -17.544 -17.605 41.159 1.00 67.20 ? 506 TRP A NE1 1 ATOM 1575 C CE2 . TRP A 1 202 ? -18.067 -18.056 42.342 1.00 68.95 ? 506 TRP A CE2 1 ATOM 1576 C CE3 . TRP A 1 202 ? -19.730 -19.649 43.076 1.00 67.82 ? 506 TRP A CE3 1 ATOM 1577 C CZ2 . TRP A 1 202 ? -17.770 -17.694 43.653 1.00 70.05 ? 506 TRP A CZ2 1 ATOM 1578 C CZ3 . TRP A 1 202 ? -19.436 -19.288 44.373 1.00 68.25 ? 506 TRP A CZ3 1 ATOM 1579 C CH2 . TRP A 1 202 ? -18.463 -18.320 44.652 1.00 69.93 ? 506 TRP A CH2 1 ATOM 1580 N N . THR A 1 203 ? -21.342 -23.007 39.925 1.00 58.12 ? 507 THR A N 1 ATOM 1581 C CA . THR A 1 203 ? -22.608 -23.605 39.523 1.00 57.02 ? 507 THR A CA 1 ATOM 1582 C C . THR A 1 203 ? -23.678 -23.027 40.434 1.00 57.12 ? 507 THR A C 1 ATOM 1583 O O . THR A 1 203 ? -23.550 -23.081 41.655 1.00 57.81 ? 507 THR A O 1 ATOM 1584 C CB . THR A 1 203 ? -22.592 -25.128 39.650 1.00 56.81 ? 507 THR A CB 1 ATOM 1585 O OG1 . THR A 1 203 ? -22.514 -25.495 41.031 1.00 59.95 ? 507 THR A OG1 1 ATOM 1586 C CG2 . THR A 1 203 ? -21.400 -25.706 38.911 1.00 57.38 ? 507 THR A CG2 1 ATOM 1587 N N . CYS A 1 204 ? -24.728 -22.465 39.848 1.00 57.77 ? 508 CYS A N 1 ATOM 1588 C CA . CYS A 1 204 ? -25.671 -21.675 40.628 1.00 60.47 ? 508 CYS A CA 1 ATOM 1589 C C . CYS A 1 204 ? -27.120 -22.134 40.513 1.00 63.67 ? 508 CYS A C 1 ATOM 1590 O O . CYS A 1 204 ? -27.509 -22.766 39.533 1.00 66.30 ? 508 CYS A O 1 ATOM 1591 C CB . CYS A 1 204 ? -25.555 -20.205 40.235 1.00 61.80 ? 508 CYS A CB 1 ATOM 1592 S SG . CYS A 1 204 ? -23.904 -19.525 40.482 1.00 114.47 ? 508 CYS A SG 1 ATOM 1593 N N . ILE A 1 205 ? -27.909 -21.811 41.535 1.00 64.06 ? 509 ILE A N 1 ATOM 1594 C CA . ILE A 1 205 ? -29.345 -22.068 41.533 1.00 63.04 ? 509 ILE A CA 1 ATOM 1595 C C . ILE A 1 205 ? -30.076 -20.765 41.802 1.00 62.79 ? 509 ILE A C 1 ATOM 1596 O O . ILE A 1 205 ? -29.721 -20.028 42.718 1.00 66.42 ? 509 ILE A O 1 ATOM 1597 C CB . ILE A 1 205 ? -29.768 -23.074 42.621 1.00 66.19 ? 509 ILE A CB 1 ATOM 1598 C CG1 . ILE A 1 205 ? -29.052 -24.413 42.443 1.00 68.92 ? 509 ILE A CG1 1 ATOM 1599 C CG2 . ILE A 1 205 ? -31.275 -23.271 42.603 1.00 67.50 ? 509 ILE A CG2 1 ATOM 1600 C CD1 . ILE A 1 205 ? -27.655 -24.428 43.003 1.00 71.99 ? 509 ILE A CD1 1 ATOM 1601 N N . ALA A 1 206 ? -31.103 -20.484 41.011 1.00 61.41 ? 510 ALA A N 1 ATOM 1602 C CA . ALA A 1 206 ? -31.845 -19.240 41.161 1.00 61.74 ? 510 ALA A CA 1 ATOM 1603 C C . ALA A 1 206 ? -33.346 -19.453 41.026 1.00 69.00 ? 510 ALA A C 1 ATOM 1604 O O . ALA A 1 206 ? -33.800 -20.427 40.433 1.00 67.20 ? 510 ALA A O 1 ATOM 1605 C CB . ALA A 1 206 ? -31.367 -18.219 40.146 1.00 55.50 ? 510 ALA A CB 1 ATOM 1606 N N . TYR A 1 207 ? -34.112 -18.531 41.591 1.00 78.50 ? 511 TYR A N 1 ATOM 1607 C CA . TYR A 1 207 ? -35.548 -18.511 41.391 1.00 86.54 ? 511 TYR A CA 1 ATOM 1608 C C . TYR A 1 207 ? -35.942 -17.158 40.814 1.00 91.74 ? 511 TYR A C 1 ATOM 1609 O O . TYR A 1 207 ? -35.207 -16.179 40.947 1.00 89.56 ? 511 TYR A O 1 ATOM 1610 C CB . TYR A 1 207 ? -36.278 -18.779 42.703 1.00 92.81 ? 511 TYR A CB 1 ATOM 1611 C CG . TYR A 1 207 ? -35.971 -20.131 43.305 1.00 99.19 ? 511 TYR A CG 1 ATOM 1612 C CD1 . TYR A 1 207 ? -36.546 -21.284 42.794 1.00 101.91 ? 511 TYR A CD1 1 ATOM 1613 C CD2 . TYR A 1 207 ? -35.113 -20.254 44.389 1.00 104.07 ? 511 TYR A CD2 1 ATOM 1614 C CE1 . TYR A 1 207 ? -36.276 -22.524 43.342 1.00 103.29 ? 511 TYR A CE1 1 ATOM 1615 C CE2 . TYR A 1 207 ? -34.835 -21.493 44.946 1.00 105.11 ? 511 TYR A CE2 1 ATOM 1616 C CZ . TYR A 1 207 ? -35.420 -22.624 44.416 1.00 103.93 ? 511 TYR A CZ 1 ATOM 1617 O OH . TYR A 1 207 ? -35.151 -23.858 44.960 1.00 102.45 ? 511 TYR A OH 1 ATOM 1618 N N . SER A 1 208 ? -37.099 -17.113 40.163 1.00 99.94 ? 512 SER A N 1 ATOM 1619 C CA . SER A 1 208 ? -37.576 -15.895 39.520 1.00 108.24 ? 512 SER A CA 1 ATOM 1620 C C . SER A 1 208 ? -38.821 -15.335 40.213 1.00 116.64 ? 512 SER A C 1 ATOM 1621 O O . SER A 1 208 ? -39.255 -15.864 41.234 1.00 116.16 ? 512 SER A O 1 ATOM 1622 C CB . SER A 1 208 ? -37.828 -16.149 38.028 1.00 107.73 ? 512 SER A CB 1 ATOM 1623 O OG . SER A 1 208 ? -38.409 -17.424 37.805 1.00 106.10 ? 512 SER A OG 1 ATOM 1624 N N . GLN A 1 209 ? -39.387 -14.266 39.658 1.00 124.94 ? 513 GLN A N 1 ATOM 1625 C CA . GLN A 1 209 ? -40.556 -13.619 40.249 1.00 132.01 ? 513 GLN A CA 1 ATOM 1626 C C . GLN A 1 209 ? -41.581 -13.257 39.177 1.00 134.13 ? 513 GLN A C 1 ATOM 1627 O O . GLN A 1 209 ? -42.730 -13.701 39.218 1.00 134.45 ? 513 GLN A O 1 ATOM 1628 C CB . GLN A 1 209 ? -40.127 -12.361 41.018 1.00 136.77 ? 513 GLN A CB 1 ATOM 1629 C CG . GLN A 1 209 ? -41.229 -11.700 41.867 1.00 143.78 ? 513 GLN A CG 1 ATOM 1630 C CD . GLN A 1 209 ? -40.727 -10.474 42.633 1.00 144.62 ? 513 GLN A CD 1 ATOM 1631 O OE1 . GLN A 1 209 ? -39.599 -10.017 42.425 1.00 145.53 ? 513 GLN A OE1 1 ATOM 1632 N NE2 . GLN A 1 209 ? -41.566 -9.939 43.520 1.00 144.65 ? 513 GLN A NE2 1 HETATM 1633 C C1 . NAG B 2 . ? 17.630 -14.013 31.351 1.00 87.15 ? 525 NAG A C1 1 HETATM 1634 C C2 . NAG B 2 . ? 19.067 -13.517 31.452 1.00 93.10 ? 525 NAG A C2 1 HETATM 1635 C C3 . NAG B 2 . ? 19.541 -12.955 30.114 1.00 94.86 ? 525 NAG A C3 1 HETATM 1636 C C4 . NAG B 2 . ? 19.265 -13.942 28.984 1.00 94.49 ? 525 NAG A C4 1 HETATM 1637 C C5 . NAG B 2 . ? 17.846 -14.501 29.045 1.00 92.88 ? 525 NAG A C5 1 HETATM 1638 C C6 . NAG B 2 . ? 17.678 -15.646 28.057 1.00 94.02 ? 525 NAG A C6 1 HETATM 1639 C C7 . NAG B 2 . ? 19.662 -12.866 33.707 1.00 91.99 ? 525 NAG A C7 1 HETATM 1640 C C8 . NAG B 2 . ? 19.256 -12.000 34.862 1.00 92.14 ? 525 NAG A C8 1 HETATM 1641 N N2 . NAG B 2 . ? 19.180 -12.531 32.511 1.00 91.84 ? 525 NAG A N2 1 HETATM 1642 O O3 . NAG B 2 . ? 20.928 -12.696 30.166 1.00 95.22 ? 525 NAG A O3 1 HETATM 1643 O O4 . NAG B 2 . ? 19.459 -13.297 27.745 1.00 93.30 ? 525 NAG A O4 1 HETATM 1644 O O5 . NAG B 2 . ? 17.536 -14.984 30.333 1.00 91.96 ? 525 NAG A O5 1 HETATM 1645 O O6 . NAG B 2 . ? 17.880 -15.159 26.752 1.00 96.54 ? 525 NAG A O6 1 HETATM 1646 O O7 . NAG B 2 . ? 20.397 -13.837 33.888 1.00 91.05 ? 525 NAG A O7 1 HETATM 1647 C C1 . MPD C 3 . ? 3.446 -8.589 39.605 1.00 90.99 ? 526 MPD A C1 1 HETATM 1648 C C2 . MPD C 3 . ? 3.073 -7.637 38.479 1.00 89.95 ? 526 MPD A C2 1 HETATM 1649 O O2 . MPD C 3 . ? 2.334 -6.525 39.041 1.00 94.41 ? 526 MPD A O2 1 HETATM 1650 C CM . MPD C 3 . ? 4.323 -7.106 37.787 1.00 87.71 ? 526 MPD A CM 1 HETATM 1651 C C3 . MPD C 3 . ? 2.174 -8.358 37.487 1.00 85.91 ? 526 MPD A C3 1 HETATM 1652 C C4 . MPD C 3 . ? 0.797 -8.553 38.104 1.00 84.13 ? 526 MPD A C4 1 HETATM 1653 O O4 . MPD C 3 . ? -0.120 -7.689 37.474 1.00 85.97 ? 526 MPD A O4 1 HETATM 1654 C C5 . MPD C 3 . ? 0.338 -9.998 37.960 1.00 82.40 ? 526 MPD A C5 1 HETATM 1655 C C1 . MRD D 4 . ? 10.501 -35.407 50.208 1.00 72.47 ? 527 MRD A C1 1 HETATM 1656 C C2 . MRD D 4 . ? 9.399 -36.392 49.833 1.00 67.59 ? 527 MRD A C2 1 HETATM 1657 O O2 . MRD D 4 . ? 9.433 -37.522 50.735 1.00 67.00 ? 527 MRD A O2 1 HETATM 1658 C CM . MRD D 4 . ? 8.034 -35.738 49.981 1.00 64.58 ? 527 MRD A CM 1 HETATM 1659 C C3 . MRD D 4 . ? 9.602 -36.859 48.400 1.00 69.11 ? 527 MRD A C3 1 HETATM 1660 C C4 . MRD D 4 . ? 10.146 -38.279 48.280 1.00 70.46 ? 527 MRD A C4 1 HETATM 1661 O O4 . MRD D 4 . ? 9.087 -39.185 48.490 1.00 76.08 ? 527 MRD A O4 1 HETATM 1662 C C5 . MRD D 4 . ? 11.296 -38.569 49.238 1.00 66.87 ? 527 MRD A C5 1 HETATM 1663 C C1 . MRD E 4 . ? 13.523 -27.993 40.396 1.00 133.07 ? 528 MRD A C1 1 HETATM 1664 C C2 . MRD E 4 . ? 12.258 -28.426 41.134 1.00 133.95 ? 528 MRD A C2 1 HETATM 1665 O O2 . MRD E 4 . ? 11.692 -29.573 40.442 1.00 135.99 ? 528 MRD A O2 1 HETATM 1666 C CM . MRD E 4 . ? 12.623 -28.858 42.550 1.00 133.87 ? 528 MRD A CM 1 HETATM 1667 C C3 . MRD E 4 . ? 11.239 -27.287 41.217 1.00 132.94 ? 528 MRD A C3 1 HETATM 1668 C C4 . MRD E 4 . ? 10.274 -27.138 40.031 1.00 133.20 ? 528 MRD A C4 1 HETATM 1669 O O4 . MRD E 4 . ? 9.072 -27.841 40.268 1.00 131.16 ? 528 MRD A O4 1 HETATM 1670 C C5 . MRD E 4 . ? 10.846 -27.542 38.671 1.00 133.81 ? 528 MRD A C5 1 HETATM 1671 O O . HOH F 5 . ? 3.425 -18.686 26.359 1.00 43.91 ? 529 HOH A O 1 HETATM 1672 O O . HOH F 5 . ? -7.970 -25.987 12.768 0.50 58.31 ? 530 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . TYR A 1 ? 1.0761 0.7932 0.8368 -0.1340 -0.0005 0.1900 305 TYR A N 2 C CA . TYR A 1 ? 1.0731 0.7750 0.8315 -0.1294 0.0085 0.1702 305 TYR A CA 3 C C . TYR A 1 ? 1.0795 0.7632 0.8421 -0.1021 0.0121 0.1749 305 TYR A C 4 O O . TYR A 1 ? 1.1320 0.7885 0.8823 -0.0949 0.0102 0.1853 305 TYR A O 5 C CB . TYR A 1 ? 1.1583 0.8343 0.8916 -0.1502 0.0107 0.1570 305 TYR A CB 6 C CG . TYR A 1 ? 1.2541 0.9480 0.9839 -0.1795 0.0083 0.1482 305 TYR A CG 7 C CD1 . TYR A 1 ? 1.2467 0.9506 0.9809 -0.1921 0.0141 0.1254 305 TYR A CD1 8 C CD2 . TYR A 1 ? 1.3497 1.0521 1.0733 -0.1950 0.0001 0.1625 305 TYR A CD2 9 C CE1 . TYR A 1 ? 1.2840 1.0052 1.0177 -0.2196 0.0124 0.1159 305 TYR A CE1 10 C CE2 . TYR A 1 ? 1.3836 1.1045 1.1055 -0.2237 -0.0014 0.1535 305 TYR A CE2 11 C CZ . TYR A 1 ? 1.3707 1.1006 1.0983 -0.2360 0.0050 0.1295 305 TYR A CZ 12 O OH . TYR A 1 ? 1.4057 1.1549 1.1341 -0.2653 0.0039 0.1190 305 TYR A OH 13 N N . GLY A 2 ? 1.0158 0.7149 0.7965 -0.0877 0.0175 0.1668 306 GLY A N 14 C CA . GLY A 2 ? 0.9876 0.6743 0.7753 -0.0634 0.0220 0.1682 306 GLY A CA 15 C C . GLY A 2 ? 1.0084 0.7232 0.8194 -0.0502 0.0248 0.1646 306 GLY A C 16 O O . GLY A 2 ? 1.0209 0.7611 0.8411 -0.0602 0.0247 0.1585 306 GLY A O 17 N N . ASP A 3 ? 1.0411 0.7510 0.8619 -0.0282 0.0277 0.1680 307 ASP A N 18 C CA . ASP A 3 ? 1.0155 0.7499 0.8569 -0.0149 0.0306 0.1648 307 ASP A CA 19 C C . ASP A 3 ? 0.9508 0.7161 0.8064 -0.0153 0.0245 0.1758 307 ASP A C 20 O O . ASP A 3 ? 0.9304 0.6974 0.7829 -0.0189 0.0175 0.1900 307 ASP A O 21 C CB . ASP A 3 ? 1.0637 0.7866 0.9127 0.0072 0.0344 0.1670 307 ASP A CB 22 C CG . ASP A 3 ? 1.1048 0.8014 0.9420 0.0075 0.0427 0.1537 307 ASP A CG 23 O OD1 . ASP A 3 ? 1.0677 0.7614 0.8944 -0.0069 0.0464 0.1398 307 ASP A OD1 24 O OD2 . ASP A 3 ? 1.1322 0.8124 0.9718 0.0220 0.0461 0.1562 307 ASP A OD2 25 N N . CYS A 4 ? 0.9244 0.7146 0.7953 -0.0121 0.0276 0.1693 308 CYS A N 26 C CA . CYS A 4 ? 0.9045 0.7260 0.7893 -0.0136 0.0241 0.1770 308 CYS A CA 27 C C . CYS A 4 ? 0.9372 0.7670 0.8341 0.0068 0.0218 0.1888 308 CYS A C 28 O O . CYS A 4 ? 0.9669 0.7845 0.8671 0.0229 0.0248 0.1867 308 CYS A O 29 C CB . CYS A 4 ? 0.8454 0.6884 0.7414 -0.0191 0.0291 0.1646 308 CYS A CB 30 S SG . CYS A 4 ? 1.4252 1.2611 1.3109 -0.0420 0.0321 0.1479 308 CYS A SG 31 N N . VAL A 5 ? 0.9191 0.7715 0.8235 0.0053 0.0167 0.2002 309 VAL A N 32 C CA . VAL A 5 ? 0.9401 0.8068 0.8581 0.0237 0.0146 0.2095 309 VAL A CA 33 C C . VAL A 5 ? 0.9965 0.8993 0.9276 0.0195 0.0154 0.2100 309 VAL A C 34 O O . VAL A 5 ? 1.0325 0.9516 0.9626 0.0064 0.0119 0.2167 309 VAL A O 35 C CB . VAL A 5 ? 0.9596 0.8163 0.8734 0.0303 0.0067 0.2263 309 VAL A CB 36 C CG1 . VAL A 5 ? 0.9337 0.8112 0.8635 0.0477 0.0041 0.2348 309 VAL A CG1 37 C CG2 . VAL A 5 ? 0.9871 0.8068 0.8901 0.0374 0.0072 0.2261 309 VAL A CG2 38 N N . THR A 6 ? 1.0338 0.9494 0.9768 0.0297 0.0206 0.2026 310 THR A N 39 C CA . THR A 6 ? 1.0780 1.0264 1.0334 0.0265 0.0232 0.2015 310 THR A CA 40 C C . THR A 6 ? 1.1722 1.1409 1.1333 0.0308 0.0181 0.2148 310 THR A C 41 O O . THR A 6 ? 1.2149 1.1718 1.1725 0.0401 0.0120 0.2254 310 THR A O 42 C CB . THR A 6 ? 1.0462 1.0016 1.0117 0.0392 0.0290 0.1928 310 THR A CB 43 O OG1 . THR A 6 ? 1.0478 0.9945 1.0166 0.0583 0.0271 0.1970 310 THR A OG1 44 C CG2 . THR A 6 ? 1.0423 0.9824 1.0032 0.0344 0.0340 0.1798 310 THR A CG2 45 N N . ASP A 7 ? 1.1990 1.1988 1.1694 0.0240 0.0209 0.2141 311 ASP A N 46 C CA . ASP A 7 ? 1.2356 1.2601 1.2126 0.0279 0.0173 0.2251 311 ASP A CA 47 C C . ASP A 7 ? 1.2201 1.2427 1.2038 0.0510 0.0154 0.2284 311 ASP A C 48 O O . ASP A 7 ? 1.2248 1.2517 1.2099 0.0595 0.0089 0.2400 311 ASP A O 49 C CB . ASP A 7 ? 1.2690 1.3280 1.2560 0.0171 0.0235 0.2206 311 ASP A CB 50 C CG . ASP A 7 ? 1.3266 1.3967 1.3103 -0.0066 0.0235 0.2216 311 ASP A CG 51 O OD1 . ASP A 7 ? 1.3492 1.4004 1.3213 -0.0148 0.0178 0.2264 311 ASP A OD1 52 O OD2 . ASP A 7 ? 1.3406 1.4386 1.3335 -0.0178 0.0296 0.2170 311 ASP A OD2 53 N N . SER A 8 ? 1.1926 1.2092 1.1810 0.0607 0.0209 0.2177 312 SER A N 54 C CA . SER A 8 ? 1.1930 1.2081 1.1890 0.0810 0.0204 0.2175 312 SER A CA 55 C C . SER A 8 ? 1.2062 1.1919 1.1978 0.0923 0.0149 0.2233 312 SER A C 56 O O . SER A 8 ? 1.2274 1.2111 1.2272 0.1092 0.0135 0.2243 312 SER A O 57 C CB . SER A 8 ? 1.2075 1.2240 1.2085 0.0854 0.0280 0.2041 312 SER A CB 58 O OG . SER A 8 ? 1.2377 1.2365 1.2311 0.0754 0.0314 0.1963 312 SER A OG 59 N N . GLY A 9 ? 1.1794 1.1423 1.1587 0.0823 0.0125 0.2263 313 GLY A N 60 C CA . GLY A 9 ? 1.1719 1.1048 1.1459 0.0914 0.0083 0.2319 313 GLY A CA 61 C C . GLY A 9 ? 1.1492 1.0565 1.1194 0.0947 0.0142 0.2202 313 GLY A C 62 O O . GLY A 9 ? 1.1570 1.0370 1.1221 0.1006 0.0128 0.2228 313 GLY A O 63 N N . VAL A 10 ? 1.1003 1.0169 1.0732 0.0908 0.0211 0.2075 314 VAL A N 64 C CA . VAL A 10 ? 1.0419 0.9387 1.0106 0.0915 0.0272 0.1956 314 VAL A CA 65 C C . VAL A 10 ? 1.0068 0.8800 0.9597 0.0782 0.0269 0.1945 314 VAL A C 66 O O . VAL A 10 ? 1.0471 0.9252 0.9930 0.0641 0.0234 0.1995 314 VAL A O 67 C CB . VAL A 10 ? 0.9802 0.8940 0.9538 0.0874 0.0336 0.1839 314 VAL A CB 68 C CG1 . VAL A 10 ? 0.9484 0.8458 0.9200 0.0913 0.0395 0.1723 314 VAL A CG1 69 C CG2 . VAL A 10 ? 0.9275 0.8686 0.9142 0.0959 0.0339 0.1851 314 VAL A CG2 70 N N . VAL A 11 ? 0.9167 0.7657 0.8639 0.0814 0.0312 0.1869 315 VAL A N 71 C CA . VAL A 11 ? 0.8267 0.6507 0.7574 0.0698 0.0315 0.1848 315 VAL A CA 72 C C . VAL A 11 ? 0.8444 0.6606 0.7692 0.0631 0.0389 0.1692 315 VAL A C 73 O O . VAL A 11 ? 0.8446 0.6559 0.7742 0.0726 0.0445 0.1613 315 VAL A O 74 C CB . VAL A 11 ? 0.7714 0.5680 0.6977 0.0791 0.0299 0.1914 315 VAL A CB 75 C CG1 . VAL A 11 ? 0.7353 0.5037 0.6436 0.0680 0.0332 0.1851 315 VAL A CG1 76 C CG2 . VAL A 11 ? 0.7853 0.5862 0.7136 0.0824 0.0209 0.2086 315 VAL A CG2 77 N N . TYR A 12 ? 0.8483 0.6644 0.7632 0.0459 0.0388 0.1644 316 TYR A N 78 C CA . TYR A 12 ? 0.7885 0.5980 0.6972 0.0384 0.0450 0.1494 316 TYR A CA 79 C C . TYR A 12 ? 0.8072 0.5914 0.6976 0.0261 0.0456 0.1449 316 TYR A C 80 O O . TYR A 12 ? 0.8084 0.5887 0.6903 0.0147 0.0405 0.1514 316 TYR A O 81 C CB . TYR A 12 ? 0.7174 0.5511 0.6329 0.0289 0.0455 0.1438 316 TYR A CB 82 C CG . TYR A 12 ? 0.7167 0.5739 0.6483 0.0398 0.0466 0.1457 316 TYR A CG 83 C CD1 . TYR A 12 ? 0.7128 0.5717 0.6498 0.0493 0.0517 0.1378 316 TYR A CD1 84 C CD2 . TYR A 12 ? 0.7072 0.5860 0.6478 0.0396 0.0428 0.1548 316 TYR A CD2 85 C CE1 . TYR A 12 ? 0.7028 0.5824 0.6527 0.0580 0.0527 0.1390 316 TYR A CE1 86 C CE2 . TYR A 12 ? 0.7051 0.6049 0.6588 0.0488 0.0445 0.1553 316 TYR A CE2 87 C CZ . TYR A 12 ? 0.6990 0.5983 0.6568 0.0578 0.0492 0.1474 316 TYR A CZ 88 O OH . TYR A 12 ? 0.6692 0.5885 0.6383 0.0656 0.0509 0.1475 316 TYR A OH 89 N N . SER A 13 ? 0.8289 0.5970 0.7125 0.0275 0.0523 0.1332 317 SER A N 90 C CA . SER A 13 ? 0.9037 0.6482 0.7686 0.0151 0.0544 0.1260 317 SER A CA 91 C C . SER A 13 ? 0.9458 0.7004 0.8057 -0.0034 0.0531 0.1176 317 SER A C 92 O O . SER A 13 ? 0.9721 0.7505 0.8443 -0.0048 0.0526 0.1150 317 SER A O 93 C CB . SER A 13 ? 0.9518 0.6804 0.8116 0.0207 0.0633 0.1135 317 SER A CB 94 O OG . SER A 13 ? 1.0404 0.7561 0.9046 0.0357 0.0654 0.1200 317 SER A OG 95 N N . VAL A 14 ? 0.9480 0.6843 0.7905 -0.0180 0.0528 0.1129 318 VAL A N 96 C CA . VAL A 14 ? 0.9052 0.6490 0.7429 -0.0369 0.0524 0.1017 318 VAL A CA 97 C C . VAL A 14 ? 0.8721 0.6245 0.7150 -0.0356 0.0584 0.0859 318 VAL A C 98 O O . VAL A 14 ? 0.8807 0.6200 0.7177 -0.0286 0.0647 0.0779 318 VAL A O 99 C CB . VAL A 14 ? 0.8691 0.5884 0.6846 -0.0529 0.0522 0.0968 318 VAL A CB 100 C CG1 . VAL A 14 ? 0.8746 0.6005 0.6856 -0.0719 0.0535 0.0803 318 VAL A CG1 101 C CG2 . VAL A 14 ? 0.8614 0.5763 0.6717 -0.0582 0.0447 0.1131 318 VAL A CG2 102 N N . GLY A 15 ? 0.7922 0.5676 0.6471 -0.0423 0.0568 0.0817 319 GLY A N 103 C CA . GLY A 15 ? 0.7627 0.5469 0.6227 -0.0423 0.0612 0.0675 319 GLY A CA 104 C C . GLY A 15 ? 0.7701 0.5709 0.6461 -0.0259 0.0629 0.0716 319 GLY A C 105 O O . GLY A 15 ? 0.7518 0.5630 0.6341 -0.0246 0.0657 0.0623 319 GLY A O 106 N N . MET A 16 ? 0.7929 0.5965 0.6753 -0.0136 0.0610 0.0853 320 MET A N 107 C CA . MET A 16 ? 0.7836 0.6041 0.6810 0.0007 0.0623 0.0893 320 MET A CA 108 C C . MET A 16 ? 0.8161 0.6612 0.7277 -0.0037 0.0593 0.0926 320 MET A C 109 O O . MET A 16 ? 0.8765 0.7269 0.7885 -0.0160 0.0558 0.0949 320 MET A O 110 C CB . MET A 16 ? 0.7937 0.6096 0.6941 0.0150 0.0613 0.1013 320 MET A CB 111 C CG . MET A 16 ? 0.8396 0.6361 0.7330 0.0241 0.0667 0.0972 320 MET A CG 112 S SD . MET A 16 ? 0.9497 0.7450 0.8528 0.0419 0.0653 0.1103 320 MET A SD 113 C CE . MET A 16 ? 1.1347 0.9086 1.0318 0.0495 0.0741 0.1012 320 MET A CE 114 N N . GLN A 17 ? 0.7727 0.6335 0.6961 0.0054 0.0611 0.0924 321 GLN A N 115 C CA . GLN A 17 ? 0.7527 0.6361 0.6902 0.0027 0.0596 0.0957 321 GLN A CA 116 C C . GLN A 17 ? 0.7931 0.6892 0.7404 0.0170 0.0602 0.1036 321 GLN A C 117 O O . GLN A 17 ? 0.8248 0.7160 0.7708 0.0280 0.0628 0.1021 321 GLN A O 118 C CB . GLN A 17 ? 0.7452 0.6361 0.6875 -0.0042 0.0613 0.0850 321 GLN A CB 119 C CG . GLN A 17 ? 0.7599 0.6427 0.6954 -0.0203 0.0604 0.0754 321 GLN A CG 120 C CD . GLN A 17 ? 0.7956 0.6901 0.7410 -0.0270 0.0612 0.0660 321 GLN A CD 121 O OE1 . GLN A 17 ? 0.7901 0.6916 0.7414 -0.0184 0.0629 0.0641 321 GLN A OE1 122 N NE2 . GLN A 17 ? 0.8706 0.7677 0.8185 -0.0428 0.0598 0.0599 321 GLN A NE2 123 N N . TRP A 18 ? 0.7623 0.6760 0.7196 0.0156 0.0585 0.1109 322 TRP A N 124 C CA . TRP A 18 ? 0.6792 0.6070 0.6456 0.0275 0.0594 0.1170 322 TRP A CA 125 C C . TRP A 18 ? 0.6894 0.6389 0.6677 0.0215 0.0601 0.1187 322 TRP A C 126 O O . TRP A 18 ? 0.5981 0.5514 0.5787 0.0082 0.0599 0.1157 322 TRP A O 127 C CB . TRP A 18 ? 0.6085 0.5330 0.5733 0.0358 0.0569 0.1265 322 TRP A CB 128 C CG . TRP A 18 ? 0.6365 0.5656 0.6008 0.0267 0.0533 0.1336 322 TRP A CG 129 C CD1 . TRP A 18 ? 0.6474 0.5972 0.6205 0.0255 0.0524 0.1406 322 TRP A CD1 130 C CD2 . TRP A 18 ? 0.6497 0.5640 0.6034 0.0159 0.0504 0.1340 322 TRP A CD2 131 N NE1 . TRP A 18 ? 0.6453 0.5956 0.6148 0.0144 0.0490 0.1458 322 TRP A NE1 132 C CE2 . TRP A 18 ? 0.6029 0.5308 0.5600 0.0081 0.0473 0.1421 322 TRP A CE2 133 C CE3 . TRP A 18 ? 0.6835 0.5747 0.6243 0.0111 0.0506 0.1277 322 TRP A CE3 134 C CZ2 . TRP A 18 ? 0.6258 0.5452 0.5739 -0.0046 0.0437 0.1449 322 TRP A CZ2 135 C CZ3 . TRP A 18 ? 0.7216 0.6026 0.6524 -0.0012 0.0473 0.1299 322 TRP A CZ3 136 C CH2 . TRP A 18 ? 0.7069 0.6020 0.6415 -0.0093 0.0435 0.1388 322 TRP A CH2 137 N N . LEU A 19 ? 0.7837 0.7473 0.7696 0.0306 0.0618 0.1226 323 LEU A N 138 C CA . LEU A 19 ? 0.7547 0.7386 0.7518 0.0259 0.0640 0.1238 323 LEU A CA 139 C C . LEU A 19 ? 0.8177 0.8159 0.8191 0.0276 0.0636 0.1321 323 LEU A C 140 O O . LEU A 19 ? 0.8120 0.8098 0.8115 0.0389 0.0624 0.1366 323 LEU A O 141 C CB . LEU A 19 ? 0.6836 0.6741 0.6851 0.0333 0.0670 0.1211 323 LEU A CB 142 C CG . LEU A 19 ? 0.6181 0.5980 0.6160 0.0322 0.0673 0.1135 323 LEU A CG 143 C CD1 . LEU A 19 ? 0.5253 0.5121 0.5258 0.0403 0.0694 0.1127 323 LEU A CD1 144 C CD2 . LEU A 19 ? 0.6475 0.6293 0.6506 0.0192 0.0673 0.1088 323 LEU A CD2 145 N N . LYS A 20 ? 0.9207 0.9330 0.9290 0.0159 0.0649 0.1332 324 LYS A N 146 C CA . LYS A 20 ? 1.0050 1.0354 1.0182 0.0156 0.0655 0.1403 324 LYS A CA 147 C C . LYS A 20 ? 1.0649 1.1159 1.0900 0.0101 0.0715 0.1380 324 LYS A C 148 O O . LYS A 20 ? 1.0671 1.1172 1.0975 0.0021 0.0740 0.1320 324 LYS A O 149 C CB . LYS A 20 ? 1.0214 1.0513 1.0313 0.0040 0.0622 0.1441 324 LYS A CB 150 C CG . LYS A 20 ? 1.0651 1.1128 1.0778 0.0053 0.0612 0.1530 324 LYS A CG 151 C CD . LYS A 20 ? 1.1120 1.1620 1.1218 -0.0095 0.0581 0.1568 324 LYS A CD 152 C CE . LYS A 20 ? 1.1232 1.1845 1.1415 -0.0282 0.0626 0.1496 324 LYS A CE 153 N NZ . LYS A 20 ? 1.1403 1.2108 1.1577 -0.0449 0.0606 0.1530 324 LYS A NZ 154 N N . THR A 21 ? 1.1339 1.2035 1.1638 0.0144 0.0742 0.1423 325 THR A N 155 C CA . THR A 21 ? 1.1913 1.2805 1.2320 0.0089 0.0814 0.1399 325 THR A CA 156 C C . THR A 21 ? 1.2530 1.3639 1.3007 -0.0026 0.0846 0.1428 325 THR A C 157 O O . THR A 21 ? 1.2672 1.3901 1.3132 0.0022 0.0837 0.1483 325 THR A O 158 C CB . THR A 21 ? 1.1918 1.2879 1.2325 0.0214 0.0844 0.1399 325 THR A CB 159 O OG1 . THR A 21 ? 1.2265 1.3241 1.2617 0.0323 0.0809 0.1446 325 THR A OG1 160 C CG2 . THR A 21 ? 1.1812 1.2612 1.2181 0.0280 0.0834 0.1357 325 THR A CG2 161 N N . GLN A 22 ? 1.2977 1.4150 1.3543 -0.0182 0.0883 0.1384 326 GLN A N 162 C CA . GLN A 22 ? 1.3341 1.4752 1.3997 -0.0320 0.0931 0.1395 326 GLN A CA 163 C C . GLN A 22 ? 1.3546 1.5139 1.4333 -0.0361 0.1034 0.1351 326 GLN A C 164 O O . GLN A 22 ? 1.3452 1.5001 1.4326 -0.0428 0.1070 0.1290 326 GLN A O 165 C CB . GLN A 22 ? 1.3574 1.4950 1.4255 -0.0493 0.0912 0.1363 326 GLN A CB 166 C CG . GLN A 22 ? 1.4177 1.5378 1.4717 -0.0480 0.0818 0.1409 326 GLN A CG 167 C CD . GLN A 22 ? 1.4463 1.5826 1.4985 -0.0555 0.0799 0.1483 326 GLN A CD 168 O OE1 . GLN A 22 ? 1.4676 1.6054 1.5127 -0.0436 0.0759 0.1567 326 GLN A OE1 169 N NE2 . GLN A 22 ? 1.4354 1.5851 1.4949 -0.0759 0.0826 0.1450 326 GLN A NE2 170 N N . GLY A 23 ? 1.3745 1.5540 1.4547 -0.0321 0.1083 0.1380 327 GLY A N 171 C CA . GLY A 23 ? 1.3776 1.5738 1.4683 -0.0353 0.1191 0.1338 327 GLY A CA 172 C C . GLY A 23 ? 1.3813 1.5614 1.4705 -0.0257 0.1198 0.1309 327 GLY A C 173 O O . GLY A 23 ? 1.3703 1.5375 1.4484 -0.0112 0.1144 0.1332 327 GLY A O 174 N N . ASN A 24 ? 1.3802 1.5617 1.4814 -0.0343 0.1264 0.1259 328 ASN A N 175 C CA . ASN A 24 ? 1.3707 1.5383 1.4715 -0.0266 0.1270 0.1241 328 ASN A CA 176 C C . ASN A 24 ? 1.3175 1.4622 1.4165 -0.0257 0.1192 0.1224 328 ASN A C 177 O O . ASN A 24 ? 1.2973 1.4312 1.3976 -0.0212 0.1190 0.1211 328 ASN A O 178 C CB . ASN A 24 ? 1.3938 1.5741 1.5092 -0.0350 0.1385 0.1203 328 ASN A CB 179 C CG . ASN A 24 ? 1.4383 1.6354 1.5510 -0.0313 0.1442 0.1196 328 ASN A CG 180 O OD1 . ASN A 24 ? 1.4477 1.6481 1.5488 -0.0211 0.1440 0.1237 328 ASN A OD1 181 N ND2 . ASN A 24 ? 1.4590 1.6636 1.5807 -0.0386 0.1471 0.1124 328 ASN A ND2 182 N N . LYS A 25 ? 1.2849 1.4227 1.3800 -0.0303 0.1128 0.1224 329 LYS A N 183 C CA . LYS A 25 ? 1.2572 1.3756 1.3511 -0.0321 0.1066 0.1188 329 LYS A CA 184 C C . LYS A 25 ? 1.1706 1.2708 1.2475 -0.0215 0.0974 0.1216 329 LYS A C 185 O O . LYS A 25 ? 1.1775 1.2806 1.2462 -0.0175 0.0948 0.1263 329 LYS A O 186 C CB . LYS A 25 ? 1.3170 1.4411 1.4219 -0.0499 0.1080 0.1135 329 LYS A CB 187 C CG . LYS A 25 ? 1.3471 1.4910 1.4716 -0.0622 0.1184 0.1097 329 LYS A CG 188 C CD . LYS A 25 ? 1.3575 1.5116 1.4915 -0.0806 0.1192 0.1038 329 LYS A CD 189 C CE . LYS A 25 ? 1.3608 1.5274 1.5073 -0.0865 0.1226 0.0950 329 LYS A CE 190 N NZ . LYS A 25 ? 1.3659 1.5473 1.5088 -0.0797 0.1272 0.0995 329 LYS A NZ 191 N N . GLN A 26 ? 1.0595 1.1419 1.1322 -0.0171 0.0930 0.1185 330 GLN A N 192 C CA . GLN A 26 ? 0.9672 1.0319 1.0250 -0.0085 0.0859 0.1195 330 GLN A CA 193 C C . GLN A 26 ? 0.8691 0.9227 0.9245 -0.0186 0.0819 0.1148 330 GLN A C 194 O O . GLN A 26 ? 0.8447 0.8960 0.9081 -0.0273 0.0826 0.1081 330 GLN A O 195 C CB . GLN A 26 ? 0.9511 1.0047 1.0035 0.0028 0.0841 0.1185 330 GLN A CB 196 C CG . GLN A 26 ? 0.9529 0.9913 0.9910 0.0125 0.0789 0.1193 330 GLN A CG 197 C CD . GLN A 26 ? 0.9534 0.9840 0.9867 0.0217 0.0778 0.1176 330 GLN A CD 198 O OE1 . GLN A 26 ? 0.9472 0.9745 0.9845 0.0187 0.0776 0.1138 330 GLN A OE1 199 N NE2 . GLN A 26 ? 0.9414 0.9703 0.9671 0.0326 0.0770 0.1200 330 GLN A NE2 200 N N . MET A 27 ? 0.8051 0.8515 0.8496 -0.0175 0.0777 0.1179 331 MET A N 201 C CA . MET A 27 ? 0.7405 0.7762 0.7801 -0.0285 0.0741 0.1137 331 MET A CA 202 C C . MET A 27 ? 0.6844 0.6975 0.7094 -0.0204 0.0693 0.1117 331 MET A C 203 O O . MET A 27 ? 0.7076 0.7148 0.7251 -0.0066 0.0681 0.1161 331 MET A O 204 C CB . MET A 27 ? 0.7728 0.8169 0.8102 -0.0362 0.0729 0.1192 331 MET A CB 205 C CG . MET A 27 ? 0.7601 0.8299 0.8114 -0.0445 0.0788 0.1213 331 MET A CG 206 S SD . MET A 27 ? 0.7842 0.8637 0.8539 -0.0616 0.0845 0.1108 331 MET A SD 207 C CE . MET A 27 ? 0.5308 0.6011 0.5952 -0.0792 0.0799 0.1049 331 MET A CE 208 N N . LEU A 28 ? 0.6455 0.6469 0.6671 -0.0298 0.0674 0.1038 332 LEU A N 209 C CA . LEU A 28 ? 0.6113 0.5914 0.6179 -0.0247 0.0641 0.1005 332 LEU A CA 210 C C . LEU A 28 ? 0.7062 0.6767 0.7024 -0.0340 0.0610 0.1014 332 LEU A C 211 O O . LEU A 28 ? 0.7561 0.7275 0.7543 -0.0499 0.0606 0.0952 332 LEU A O 212 C CB . LEU A 28 ? 0.4842 0.4571 0.4921 -0.0276 0.0643 0.0898 332 LEU A CB 213 C CG . LEU A 28 ? 0.5481 0.5005 0.5402 -0.0235 0.0624 0.0844 332 LEU A CG 214 C CD1 . LEU A 28 ? 0.6104 0.5559 0.5936 -0.0083 0.0623 0.0917 332 LEU A CD1 215 C CD2 . LEU A 28 ? 0.5481 0.4981 0.5428 -0.0236 0.0630 0.0746 332 LEU A CD2 216 N N . CYS A 29 ? 0.6643 0.6256 0.6499 -0.0246 0.0586 0.1091 333 CYS A N 217 C CA . CYS A 29 ? 0.6124 0.5643 0.5876 -0.0322 0.0551 0.1128 333 CYS A CA 218 C C . CYS A 29 ? 0.6020 0.5283 0.5611 -0.0314 0.0535 0.1074 333 CYS A C 219 O O . CYS A 29 ? 0.5968 0.5121 0.5509 -0.0180 0.0546 0.1068 333 CYS A O 220 C CB . CYS A 29 ? 0.5808 0.5399 0.5560 -0.0235 0.0532 0.1257 333 CYS A CB 221 S SG . CYS A 29 ? 0.9078 0.8989 0.8996 -0.0291 0.0560 0.1308 333 CYS A SG 222 N N . THR A 30 ? 0.5937 0.5114 0.5448 -0.0469 0.0517 0.1027 334 THR A N 223 C CA . THR A 30 ? 0.6256 0.5184 0.5597 -0.0490 0.0511 0.0962 334 THR A CA 224 C C . THR A 30 ? 0.6683 0.5491 0.5897 -0.0544 0.0472 0.1044 334 THR A C 225 O O . THR A 30 ? 0.7037 0.5967 0.6285 -0.0659 0.0447 0.1098 334 THR A O 226 C CB . THR A 30 ? 0.5877 0.4781 0.5210 -0.0643 0.0524 0.0809 334 THR A CB 227 O OG1 . THR A 30 ? 0.6414 0.5467 0.5899 -0.0610 0.0551 0.0751 334 THR A OG1 228 C CG2 . THR A 30 ? 0.5254 0.3913 0.4410 -0.0641 0.0535 0.0719 334 THR A CG2 229 N N . CYS A 31 ? 0.6945 0.5519 0.6014 -0.0467 0.0470 0.1055 335 CYS A N 230 C CA . CYS A 31 ? 0.7952 0.6370 0.6881 -0.0522 0.0431 0.1133 335 CYS A CA 231 C C . CYS A 31 ? 0.8436 0.6709 0.7221 -0.0714 0.0432 0.1017 335 CYS A C 232 O O . CYS A 31 ? 0.8653 0.6760 0.7342 -0.0710 0.0468 0.0900 335 CYS A O 233 C CB . CYS A 31 ? 0.8342 0.6561 0.7194 -0.0350 0.0435 0.1202 335 CYS A CB 234 S SG . CYS A 31 ? 0.9225 0.7225 0.7909 -0.0395 0.0380 0.1325 335 CYS A SG 235 N N . LEU A 32 ? 0.8141 0.6493 0.6912 -0.0892 0.0396 0.1040 336 LEU A N 236 C CA . LEU A 32 ? 0.8246 0.6488 0.6888 -0.1103 0.0395 0.0918 336 LEU A CA 237 C C . LEU A 32 ? 0.9010 0.6965 0.7422 -0.1127 0.0372 0.0964 336 LEU A C 238 O O . LEU A 32 ? 0.9321 0.7106 0.7576 -0.1264 0.0386 0.0843 336 LEU A O 239 C CB . LEU A 32 ? 0.8108 0.6574 0.6842 -0.1308 0.0372 0.0910 336 LEU A CB 240 C CG . LEU A 32 ? 0.7600 0.6369 0.6580 -0.1278 0.0394 0.0912 336 LEU A CG 241 C CD1 . LEU A 32 ? 0.7267 0.6258 0.6339 -0.1499 0.0383 0.0902 336 LEU A CD1 242 C CD2 . LEU A 32 ? 0.7080 0.5869 0.6153 -0.1227 0.0441 0.0768 336 LEU A CD2 243 N N . GLY A 33 ? 0.9489 0.7386 0.7883 -0.0992 0.0340 0.1136 337 GLY A N 244 C CA . GLY A 33 ? 0.9860 0.7483 0.8052 -0.1007 0.0313 0.1211 337 GLY A CA 245 C C . GLY A 33 ? 1.0029 0.7715 0.8154 -0.1208 0.0250 0.1285 337 GLY A C 246 O O . GLY A 33 ? 1.0152 0.7654 0.8122 -0.1238 0.0207 0.1390 337 GLY A O 247 N N . ASN A 34 ? 1.0087 0.8045 0.8341 -0.1353 0.0248 0.1227 338 ASN A N 248 C CA . ASN A 34 ? 0.9220 0.7317 0.7452 -0.1568 0.0198 0.1281 338 ASN A CA 249 C C . ASN A 34 ? 0.8500 0.6926 0.6945 -0.1506 0.0182 0.1398 338 ASN A C 250 O O . ASN A 34 ? 0.8372 0.6973 0.6835 -0.1645 0.0142 0.1484 338 ASN A O 251 C CB . ASN A 34 ? 0.9224 0.7391 0.7454 -0.1816 0.0226 0.1083 338 ASN A CB 252 C CG . ASN A 34 ? 1.0896 0.9186 0.9080 -0.2075 0.0181 0.1114 338 ASN A CG 253 O OD1 . ASN A 34 ? 1.2100 1.0341 1.0179 -0.2089 0.0122 0.1281 338 ASN A OD1 254 N ND2 . ASN A 34 ? 1.1231 0.9692 0.9503 -0.2291 0.0208 0.0951 338 ASN A ND2 255 N N . GLY A 35 ? 0.7752 0.6267 0.6350 -0.1303 0.0220 0.1397 339 GLY A N 256 C CA . GLY A 35 ? 0.6986 0.5811 0.5788 -0.1234 0.0224 0.1475 339 GLY A CA 257 C C . GLY A 35 ? 0.6577 0.5465 0.5523 -0.1079 0.0283 0.1391 339 GLY A C 258 O O . GLY A 35 ? 0.6157 0.4839 0.5039 -0.0955 0.0306 0.1334 339 GLY A O 259 N N . VAL A 36 ? 0.6471 0.5649 0.5608 -0.1093 0.0312 0.1381 340 VAL A N 260 C CA . VAL A 36 ? 0.6487 0.5740 0.5762 -0.0955 0.0364 0.1315 340 VAL A CA 261 C C . VAL A 36 ? 0.6613 0.6079 0.6046 -0.1100 0.0409 0.1198 340 VAL A C 262 O O . VAL A 36 ? 0.6804 0.6428 0.6283 -0.1292 0.0406 0.1188 340 VAL A O 263 C CB . VAL A 36 ? 0.6529 0.5917 0.5901 -0.0758 0.0363 0.1439 340 VAL A CB 264 C CG1 . VAL A 36 ? 0.5601 0.5042 0.5089 -0.0623 0.0415 0.1372 340 VAL A CG1 265 C CG2 . VAL A 36 ? 0.7231 0.6423 0.6481 -0.0613 0.0316 0.1556 340 VAL A CG2 266 N N . SER A 37 ? 0.6905 0.6377 0.6428 -0.1012 0.0451 0.1110 341 SER A N 267 C CA . SER A 37 ? 0.6705 0.6369 0.6406 -0.1118 0.0496 0.1007 341 SER A CA 268 C C . SER A 37 ? 0.7247 0.6979 0.7068 -0.0945 0.0534 0.1006 341 SER A C 269 O O . SER A 37 ? 0.8111 0.7684 0.7867 -0.0813 0.0534 0.0975 341 SER A O 270 C CB . SER A 37 ? 0.6533 0.6085 0.6194 -0.1272 0.0500 0.0845 341 SER A CB 271 O OG . SER A 37 ? 0.6597 0.6323 0.6456 -0.1355 0.0544 0.0741 341 SER A OG 272 N N . CYS A 38 ? 0.6841 0.6818 0.6832 -0.0956 0.0571 0.1036 342 CYS A N 273 C CA . CYS A 38 ? 0.6837 0.6893 0.6938 -0.0808 0.0609 0.1044 342 CYS A CA 274 C C . CYS A 38 ? 0.7068 0.7268 0.7354 -0.0911 0.0659 0.0946 342 CYS A C 275 O O . CYS A 38 ? 0.6551 0.6916 0.6948 -0.1081 0.0685 0.0915 342 CYS A O 276 C CB . CYS A 38 ? 0.6680 0.6890 0.6817 -0.0706 0.0618 0.1168 342 CYS A CB 277 S SG . CYS A 38 ? 0.7894 0.7941 0.7851 -0.0568 0.0556 0.1287 342 CYS A SG 278 N N . GLN A 39 ? 0.7364 0.7506 0.7693 -0.0810 0.0673 0.0896 343 GLN A N 279 C CA . GLN A 39 ? 0.7099 0.7349 0.7613 -0.0880 0.0715 0.0810 343 GLN A CA 280 C C . GLN A 39 ? 0.7600 0.7905 0.8189 -0.0724 0.0745 0.0855 343 GLN A C 281 O O . GLN A 39 ? 0.8076 0.8267 0.8554 -0.0568 0.0722 0.0896 343 GLN A O 282 C CB . GLN A 39 ? 0.7076 0.7186 0.7568 -0.0949 0.0693 0.0678 343 GLN A CB 283 C CG . GLN A 39 ? 0.8032 0.8134 0.8501 -0.1159 0.0679 0.0597 343 GLN A CG 284 C CD . GLN A 39 ? 0.8641 0.8554 0.9003 -0.1203 0.0647 0.0473 343 GLN A CD 285 O OE1 . GLN A 39 ? 0.9062 0.8789 0.9221 -0.1134 0.0614 0.0493 343 GLN A OE1 286 N NE2 . GLN A 39 ? 0.8487 0.8452 0.8991 -0.1320 0.0662 0.0336 343 GLN A NE2 287 N N . GLU A 40 ? 0.8029 0.8510 0.8807 -0.0777 0.0801 0.0842 344 GLU A N 288 C CA . GLU A 40 ? 0.8788 0.9321 0.9638 -0.0651 0.0834 0.0883 344 GLU A CA 289 C C . GLU A 40 ? 0.8754 0.9127 0.9545 -0.0545 0.0797 0.0849 344 GLU A C 290 O O . GLU A 40 ? 0.8187 0.8474 0.8988 -0.0611 0.0772 0.0756 344 GLU A O 291 C CB . GLU A 40 ? 0.9768 1.0476 1.0845 -0.0752 0.0904 0.0844 344 GLU A CB 292 C CG . GLU A 40 ? 1.0981 1.1894 1.2141 -0.0871 0.0960 0.0868 344 GLU A CG 293 C CD . GLU A 40 ? 1.2024 1.3104 1.3431 -0.0996 0.1043 0.0805 344 GLU A CD 294 O OE1 . GLU A 40 ? 1.2179 1.3199 1.3696 -0.0982 0.1047 0.0748 344 GLU A OE1 295 O OE2 . GLU A 40 ? 1.2583 1.3829 1.4046 -0.1078 0.1075 0.0792 344 GLU A OE2 296 N N . THR A 41 ? 0.9255 0.9605 0.9984 -0.0389 0.0795 0.0916 345 THR A N 297 C CA . THR A 41 ? 1.0007 1.0241 1.0683 -0.0291 0.0765 0.0893 345 THR A CA 298 C C . THR A 41 ? 1.0688 1.0994 1.1522 -0.0289 0.0792 0.0881 345 THR A C 299 O O . THR A 41 ? 1.0584 1.1018 1.1527 -0.0297 0.0842 0.0924 345 THR A O 300 C CB . THR A 41 ? 1.0248 1.0425 1.0782 -0.0137 0.0750 0.0963 345 THR A CB 301 O OG1 . THR A 41 ? 1.0432 1.0737 1.0999 -0.0096 0.0787 0.1039 345 THR A OG1 302 C CG2 . THR A 41 ? 1.0580 1.0624 1.0953 -0.0118 0.0714 0.0958 345 THR A CG2 303 N N . ALA A 42 ? 1.1355 1.1581 1.2202 -0.0277 0.0759 0.0821 346 ALA A N 304 C CA . ALA A 42 ? 1.1613 1.1886 1.2606 -0.0259 0.0770 0.0818 346 ALA A CA 305 C C . ALA A 42 ? 1.2179 1.2452 1.3102 -0.0120 0.0767 0.0905 346 ALA A C 306 O O . ALA A 42 ? 1.2570 1.2772 1.3329 -0.0033 0.0738 0.0927 346 ALA A O 307 C CB . ALA A 42 ? 1.1311 1.1514 1.2347 -0.0297 0.0729 0.0719 346 ALA A CB 308 N N . VAL A 43 ? 1.2384 1.2737 1.3433 -0.0108 0.0803 0.0951 347 VAL A N 309 C CA . VAL A 43 ? 1.2871 1.3226 1.3857 0.0004 0.0798 0.1028 347 VAL A CA 310 C C . VAL A 43 ? 1.2784 1.3093 1.3820 0.0035 0.0753 0.1014 347 VAL A C 311 O O . VAL A 43 ? 1.2764 1.3098 1.3978 -0.0020 0.0761 0.0986 347 VAL A O 312 C CB . VAL A 43 ? 1.2951 1.3409 1.4023 0.0000 0.0865 0.1092 347 VAL A CB 313 C CG1 . VAL A 43 ? 1.2617 1.3075 1.3566 0.0107 0.0860 0.1167 347 VAL A CG1 314 C CG2 . VAL A 43 ? 1.3081 1.3625 1.4167 -0.0067 0.0917 0.1085 347 VAL A CG2 315 N N . THR A 44 ? 1.2400 1.2656 1.3292 0.0119 0.0708 0.1029 348 THR A N 316 C CA . THR A 44 ? 1.1836 1.2071 1.2758 0.0154 0.0660 0.1022 348 THR A CA 317 C C . THR A 44 ? 1.0714 1.0999 1.1760 0.0174 0.0673 0.1100 348 THR A C 318 O O . THR A 44 ? 1.0050 1.0368 1.1037 0.0219 0.0699 0.1181 348 THR A O 319 C CB . THR A 44 ? 1.2240 1.2441 1.2978 0.0233 0.0621 0.1030 348 THR A CB 320 O OG1 . THR A 44 ? 1.2265 1.2485 1.3038 0.0270 0.0577 0.1048 348 THR A OG1 321 C CG2 . THR A 44 ? 1.2365 1.2596 1.2986 0.0292 0.0648 0.1104 348 THR A CG2 322 N N . GLN A 45 ? 1.0200 1.0488 1.1425 0.0138 0.0658 0.1069 349 GLN A N 323 C CA . GLN A 45 ? 0.9900 1.0215 1.1261 0.0158 0.0669 0.1146 349 GLN A CA 324 C C . GLN A 45 ? 0.8921 0.9227 1.0172 0.0250 0.0613 0.1226 349 GLN A C 325 O O . GLN A 45 ? 0.9279 0.9570 1.0457 0.0281 0.0553 0.1190 349 GLN A O 326 C CB . GLN A 45 ? 1.0503 1.0821 1.2107 0.0099 0.0662 0.1085 349 GLN A CB 327 C CG . GLN A 45 ? 1.0913 1.1262 1.2657 -0.0018 0.0721 0.0995 349 GLN A CG 328 C CD . GLN A 45 ? 1.1231 1.1595 1.3248 -0.0080 0.0721 0.0929 349 GLN A CD 329 O OE1 . GLN A 45 ? 1.1575 1.1943 1.3738 -0.0046 0.0728 0.0993 349 GLN A OE1 330 N NE2 . GLN A 45 ? 1.0897 1.1266 1.2990 -0.0174 0.0714 0.0798 349 GLN A NE2 331 N N . THR A 46 ? 0.7232 0.7557 0.8466 0.0285 0.0637 0.1329 350 THR A N 332 C CA . THR A 46 ? 0.6698 0.7026 0.7843 0.0354 0.0583 0.1416 350 THR A CA 333 C C . THR A 46 ? 0.7246 0.7564 0.8563 0.0361 0.0578 0.1492 350 THR A C 334 O O . THR A 46 ? 0.7698 0.8012 0.9154 0.0319 0.0646 0.1502 350 THR A O 335 C CB . THR A 46 ? 0.6269 0.6623 0.7218 0.0387 0.0606 0.1479 350 THR A CB 336 O OG1 . THR A 46 ? 0.6343 0.6711 0.7331 0.0354 0.0686 0.1500 350 THR A OG1 337 C CG2 . THR A 46 ? 0.5549 0.5908 0.6333 0.0399 0.0597 0.1413 350 THR A CG2 338 N N . TYR A 47 ? 0.6841 0.7160 0.8154 0.0412 0.0501 0.1546 351 TYR A N 339 C CA . TYR A 47 ? 0.6282 0.6578 0.7761 0.0431 0.0482 0.1632 351 TYR A CA 340 C C . TYR A 47 ? 0.6145 0.6462 0.7505 0.0495 0.0401 0.1740 351 TYR A C 341 O O . TYR A 47 ? 0.6143 0.6507 0.7346 0.0517 0.0352 0.1713 351 TYR A O 342 C CB . TYR A 47 ? 0.6001 0.6284 0.7727 0.0406 0.0461 0.1551 351 TYR A CB 343 C CG . TYR A 47 ? 0.6107 0.6417 0.7802 0.0435 0.0373 0.1485 351 TYR A CG 344 C CD1 . TYR A 47 ? 0.6285 0.6614 0.8025 0.0497 0.0287 0.1554 351 TYR A CD1 345 C CD2 . TYR A 47 ? 0.6332 0.6653 0.7947 0.0398 0.0378 0.1354 351 TYR A CD2 346 C CE1 . TYR A 47 ? 0.6558 0.6935 0.8267 0.0521 0.0213 0.1484 351 TYR A CE1 347 C CE2 . TYR A 47 ? 0.6959 0.7308 0.8535 0.0418 0.0310 0.1280 351 TYR A CE2 348 C CZ . TYR A 47 ? 0.7042 0.7428 0.8667 0.0479 0.0230 0.1340 351 TYR A CZ 349 O OH . TYR A 47 ? 0.7300 0.7736 0.8882 0.0496 0.0169 0.1257 351 TYR A OH 350 N N . GLY A 48 ? 0.6133 0.6421 0.7567 0.0517 0.0393 0.1861 352 GLY A N 351 C CA . GLY A 48 ? 0.6480 0.6793 0.7816 0.0568 0.0309 0.1981 352 GLY A CA 352 C C . GLY A 48 ? 0.7265 0.7635 0.8324 0.0567 0.0304 0.2012 352 GLY A C 353 O O . GLY A 48 ? 0.7076 0.7441 0.8026 0.0536 0.0377 0.1992 352 GLY A O 354 N N . GLY A 49 ? 0.7827 0.8269 0.8781 0.0598 0.0220 0.2054 353 GLY A N 355 C CA . GLY A 49 ? 0.8379 0.8898 0.9089 0.0585 0.0214 0.2079 353 GLY A CA 356 C C . GLY A 49 ? 0.8496 0.8996 0.9113 0.0568 0.0227 0.2210 353 GLY A C 357 O O . GLY A 49 ? 0.8528 0.8943 0.9267 0.0572 0.0244 0.2289 353 GLY A O 358 N N . ASN A 50 ? 0.8117 0.8695 0.8520 0.0540 0.0225 0.2227 354 ASN A N 359 C CA . ASN A 50 ? 0.7769 0.8333 0.8054 0.0506 0.0244 0.2333 354 ASN A CA 360 C C . ASN A 50 ? 0.8160 0.8666 0.8419 0.0474 0.0351 0.2277 354 ASN A C 361 O O . ASN A 50 ? 0.8443 0.8928 0.8601 0.0437 0.0385 0.2340 354 ASN A O 362 C CB . ASN A 50 ? 0.7074 0.7763 0.7148 0.0471 0.0198 0.2370 354 ASN A CB 363 C CG . ASN A 50 ? 0.7065 0.7839 0.7025 0.0447 0.0239 0.2233 354 ASN A CG 364 O OD1 . ASN A 50 ? 0.7275 0.7999 0.7280 0.0454 0.0306 0.2128 354 ASN A OD1 365 N ND2 . ASN A 50 ? 0.6641 0.7550 0.6460 0.0413 0.0201 0.2235 354 ASN A ND2 366 N N . SER A 51 ? 0.8240 0.8727 0.8583 0.0482 0.0403 0.2155 355 SER A N 367 C CA . SER A 51 ? 0.8606 0.9056 0.8951 0.0455 0.0503 0.2097 355 SER A CA 368 C C . SER A 51 ? 0.8906 0.9269 0.9457 0.0455 0.0549 0.2116 355 SER A C 369 O O . SER A 51 ? 0.8446 0.8782 0.9011 0.0425 0.0638 0.2105 355 SER A O 370 C CB . SER A 51 ? 0.9242 0.9728 0.9566 0.0458 0.0533 0.1962 355 SER A CB 371 O OG . SER A 51 ? 1.0217 1.0784 1.0373 0.0454 0.0506 0.1929 355 SER A OG 372 N N . ASN A 52 ? 0.9948 1.0281 1.0670 0.0485 0.0494 0.2132 356 ASN A N 373 C CA . ASN A 52 ? 1.0610 1.0871 1.1569 0.0479 0.0537 0.2129 356 ASN A CA 374 C C . ASN A 52 ? 1.0952 1.1223 1.1987 0.0442 0.0625 0.2004 356 ASN A C 375 O O . ASN A 52 ? 1.1477 1.1726 1.2583 0.0404 0.0718 0.2000 356 ASN A O 376 C CB . ASN A 52 ? 1.0919 1.1113 1.1906 0.0466 0.0578 0.2244 356 ASN A CB 377 C CG . ASN A 52 ? 1.1930 1.2102 1.2879 0.0501 0.0481 0.2384 356 ASN A CG 378 O OD1 . ASN A 52 ? 1.1886 1.2080 1.2915 0.0543 0.0389 0.2396 356 ASN A OD1 379 N ND2 . ASN A 52 ? 1.2700 1.2837 1.3520 0.0479 0.0499 0.2490 356 ASN A ND2 380 N N . GLY A 53 ? 1.0478 1.0787 1.1490 0.0446 0.0597 0.1904 357 GLY A N 381 C CA . GLY A 53 ? 1.0288 1.0607 1.1387 0.0407 0.0661 0.1792 357 GLY A CA 382 C C . GLY A 53 ? 1.0105 1.0467 1.1045 0.0390 0.0717 0.1741 357 GLY A C 383 O O . GLY A 53 ? 1.0465 1.0843 1.1468 0.0354 0.0770 0.1661 357 GLY A O 384 N N . GLU A 54 ? 0.9490 0.9880 1.0233 0.0410 0.0705 0.1784 358 GLU A N 385 C CA . GLU A 54 ? 0.9163 0.9601 0.9763 0.0403 0.0751 0.1730 358 GLU A CA 386 C C . GLU A 54 ? 0.8825 0.9273 0.9408 0.0412 0.0728 0.1635 358 GLU A C 387 O O . GLU A 54 ? 0.8779 0.9217 0.9339 0.0435 0.0661 0.1619 358 GLU A O 388 C CB . GLU A 54 ? 1.0157 1.0632 1.0561 0.0416 0.0730 0.1777 358 GLU A CB 389 C CG . GLU A 54 ? 1.1450 1.1910 1.1825 0.0394 0.0763 0.1865 358 GLU A CG 390 C CD . GLU A 54 ? 1.2376 1.2847 1.2785 0.0359 0.0870 0.1834 358 GLU A CD 391 O OE1 . GLU A 54 ? 1.2894 1.3418 1.3259 0.0357 0.0909 0.1753 358 GLU A OE1 392 O OE2 . GLU A 54 ? 1.2432 1.2862 1.2913 0.0335 0.0917 0.1892 358 GLU A OE2 393 N N . PRO A 55 ? 0.8461 0.8931 0.9046 0.0392 0.0786 0.1574 359 PRO A N 394 C CA . PRO A 55 ? 0.7821 0.8283 0.8394 0.0394 0.0771 0.1491 359 PRO A CA 395 C C . PRO A 55 ? 0.7579 0.8047 0.7993 0.0436 0.0726 0.1469 359 PRO A C 396 O O . PRO A 55 ? 0.8149 0.8657 0.8449 0.0453 0.0726 0.1502 359 PRO A O 397 C CB . PRO A 55 ? 0.7223 0.7728 0.7805 0.0368 0.0843 0.1458 359 PRO A CB 398 C CG . PRO A 55 ? 0.7606 0.8157 0.8135 0.0368 0.0893 0.1509 359 PRO A CG 399 C CD . PRO A 55 ? 0.8086 0.8598 0.8675 0.0365 0.0872 0.1581 359 PRO A CD 400 N N . CYS A 56 ? 0.7438 0.7870 0.7848 0.0441 0.0695 0.1405 360 CYS A N 401 C CA . CYS A 56 ? 0.7751 0.8188 0.8030 0.0473 0.0665 0.1370 360 CYS A CA 402 C C . CYS A 56 ? 0.8094 0.8567 0.8271 0.0493 0.0702 0.1353 360 CYS A C 403 O O . CYS A 56 ? 0.8873 0.9359 0.9078 0.0485 0.0746 0.1352 360 CYS A O 404 C CB . CYS A 56 ? 0.7418 0.7797 0.7711 0.0466 0.0642 0.1292 360 CYS A CB 405 S SG . CYS A 56 ? 1.4341 1.4701 1.4726 0.0452 0.0585 0.1284 360 CYS A SG 406 N N . VAL A 57 ? 0.7309 0.7813 0.7378 0.0515 0.0686 0.1336 361 VAL A N 407 C CA . VAL A 57 ? 0.6956 0.7490 0.6951 0.0537 0.0717 0.1297 361 VAL A CA 408 C C . VAL A 57 ? 0.7256 0.7755 0.7204 0.0556 0.0705 0.1227 361 VAL A C 409 O O . VAL A 57 ? 0.7329 0.7865 0.7220 0.0553 0.0688 0.1212 361 VAL A O 410 C CB . VAL A 57 ? 0.6174 0.6795 0.6090 0.0532 0.0727 0.1324 361 VAL A CB 411 C CG1 . VAL A 57 ? 0.5857 0.6517 0.5708 0.0553 0.0751 0.1258 361 VAL A CG1 412 C CG2 . VAL A 57 ? 0.5743 0.6387 0.5689 0.0513 0.0760 0.1375 361 VAL A CG2 413 N N . LEU A 58 ? 0.7158 0.7588 0.7128 0.0568 0.0719 0.1185 362 LEU A N 414 C CA . LEU A 58 ? 0.6681 0.7048 0.6610 0.0582 0.0717 0.1117 362 LEU A CA 415 C C . LEU A 58 ? 0.7533 0.7892 0.7433 0.0620 0.0747 0.1083 362 LEU A C 416 O O . LEU A 58 ? 0.8304 0.8673 0.8236 0.0634 0.0761 0.1105 362 LEU A O 417 C CB . LEU A 58 ? 0.5640 0.5911 0.5615 0.0557 0.0703 0.1094 362 LEU A CB 418 C CG . LEU A 58 ? 0.5883 0.6154 0.5912 0.0521 0.0670 0.1106 362 LEU A CG 419 C CD1 . LEU A 58 ? 0.5576 0.5762 0.5659 0.0481 0.0663 0.1064 362 LEU A CD1 420 C CD2 . LEU A 58 ? 0.6563 0.6871 0.6536 0.0526 0.0650 0.1082 362 LEU A CD2 421 N N . PRO A 59 ? 0.7768 0.8121 0.7619 0.0637 0.0760 0.1025 363 PRO A N 422 C CA . PRO A 59 ? 0.7520 0.7900 0.7330 0.0613 0.0752 0.0994 363 PRO A CA 423 C C . PRO A 59 ? 0.7179 0.7691 0.6964 0.0594 0.0746 0.1028 363 PRO A C 424 O O . PRO A 59 ? 0.7625 0.8193 0.7415 0.0599 0.0755 0.1058 363 PRO A O 425 C CB . PRO A 59 ? 0.7674 0.8014 0.7449 0.0632 0.0788 0.0912 363 PRO A CB 426 C CG . PRO A 59 ? 0.7908 0.8181 0.7714 0.0675 0.0804 0.0912 363 PRO A CG 427 C CD . PRO A 59 ? 0.7975 0.8307 0.7818 0.0679 0.0789 0.0980 363 PRO A CD 428 N N . PHE A 60 ? 0.6677 0.7245 0.6429 0.0565 0.0729 0.1020 364 PHE A N 429 C CA . PHE A 60 ? 0.6869 0.7570 0.6582 0.0534 0.0719 0.1055 364 PHE A CA 430 C C . PHE A 60 ? 0.7296 0.8078 0.6962 0.0505 0.0731 0.0995 364 PHE A C 431 O O . PHE A 60 ? 0.7007 0.7730 0.6671 0.0511 0.0742 0.0937 364 PHE A O 432 C CB . PHE A 60 ? 0.6822 0.7536 0.6559 0.0519 0.0672 0.1150 364 PHE A CB 433 C CG . PHE A 60 ? 0.7055 0.7735 0.6821 0.0515 0.0636 0.1151 364 PHE A CG 434 C CD1 . PHE A 60 ? 0.6804 0.7581 0.6533 0.0491 0.0606 0.1163 364 PHE A CD1 435 C CD2 . PHE A 60 ? 0.7268 0.7833 0.7098 0.0529 0.0630 0.1134 364 PHE A CD2 436 C CE1 . PHE A 60 ? 0.6457 0.7216 0.6218 0.0492 0.0571 0.1153 364 PHE A CE1 437 C CE2 . PHE A 60 ? 0.7194 0.7734 0.7056 0.0519 0.0597 0.1116 364 PHE A CE2 438 C CZ . PHE A 60 ? 0.6897 0.7534 0.6727 0.0507 0.0567 0.1123 364 PHE A CZ 439 N N . THR A 61 ? 0.7756 0.8679 0.7378 0.0463 0.0736 0.1001 365 THR A N 440 C CA . THR A 61 ? 0.7806 0.8846 0.7388 0.0420 0.0756 0.0942 365 THR A CA 441 C C . THR A 61 ? 0.8172 0.9328 0.7717 0.0379 0.0702 0.1017 365 THR A C 442 O O . THR A 61 ? 0.8258 0.9459 0.7786 0.0360 0.0665 0.1106 365 THR A O 443 C CB . THR A 61 ? 0.7636 0.8785 0.7204 0.0383 0.0811 0.0868 365 THR A CB 444 O OG1 . THR A 61 ? 0.8123 0.9374 0.7659 0.0341 0.0789 0.0927 365 THR A OG1 445 C CG2 . THR A 61 ? 0.7215 0.8251 0.6835 0.0434 0.0857 0.0802 365 THR A CG2 446 N N . TYR A 62 ? 0.8212 0.9414 0.7743 0.0365 0.0699 0.0980 366 TYR A N 447 C CA . TYR A 62 ? 0.8268 0.9610 0.7765 0.0326 0.0648 0.1041 366 TYR A CA 448 C C . TYR A 62 ? 0.8398 0.9875 0.7857 0.0282 0.0692 0.0943 366 TYR A C 449 O O . TYR A 62 ? 0.7930 0.9330 0.7400 0.0302 0.0742 0.0843 366 TYR A O 450 C CB . TYR A 62 ? 0.8432 0.9687 0.7977 0.0369 0.0579 0.1115 366 TYR A CB 451 C CG . TYR A 62 ? 0.8593 0.9986 0.8119 0.0346 0.0530 0.1145 366 TYR A CG 452 C CD1 . TYR A 62 ? 0.8881 1.0416 0.8370 0.0307 0.0480 0.1249 366 TYR A CD1 453 C CD2 . TYR A 62 ? 0.8618 1.0004 0.8157 0.0359 0.0533 0.1068 366 TYR A CD2 454 C CE1 . TYR A 62 ? 0.8959 1.0635 0.8433 0.0289 0.0427 0.1287 366 TYR A CE1 455 C CE2 . TYR A 62 ? 0.9000 1.0534 0.8525 0.0342 0.0487 0.1089 366 TYR A CE2 456 C CZ . TYR A 62 ? 0.8913 1.0596 0.8410 0.0311 0.0431 0.1205 366 TYR A CZ 457 O OH . TYR A 62 ? 0.8633 1.0477 0.8120 0.0297 0.0377 0.1236 366 TYR A OH 458 N N . ASN A 63 ? 0.9093 1.0776 0.8503 0.0213 0.0679 0.0971 367 ASN A N 459 C CA . ASN A 63 ? 0.9278 1.1132 0.8653 0.0155 0.0729 0.0876 367 ASN A CA 460 C C . ASN A 63 ? 0.8877 1.0706 0.8269 0.0140 0.0837 0.0732 367 ASN A C 461 O O . ASN A 63 ? 0.7932 0.9789 0.7317 0.0128 0.0897 0.0626 367 ASN A O 462 C CB . ASN A 63 ? 1.0030 1.1869 0.9410 0.0188 0.0699 0.0862 367 ASN A CB 463 C CG . ASN A 63 ? 1.0676 1.2769 1.0007 0.0119 0.0700 0.0843 367 ASN A CG 464 O OD1 . ASN A 63 ? 1.1010 1.3156 1.0325 0.0106 0.0754 0.0731 367 ASN A OD1 465 N ND2 . ASN A 63 ? 1.0495 1.2752 0.9793 0.0069 0.0642 0.0951 367 ASN A ND2 466 N N . GLY A 64 ? 0.9354 1.1129 0.8772 0.0143 0.0863 0.0725 368 GLY A N 467 C CA . GLY A 64 ? 0.9834 1.1586 0.9291 0.0134 0.0961 0.0596 368 GLY A CA 468 C C . GLY A 64 ? 1.0271 1.1806 0.9759 0.0210 0.0995 0.0535 368 GLY A C 469 O O . GLY A 64 ? 1.0253 1.1767 0.9769 0.0203 0.1083 0.0420 368 GLY A O 470 N N . ARG A 65 ? 1.0495 1.1869 0.9983 0.0276 0.0928 0.0610 369 ARG A N 471 C CA . ARG A 65 ? 1.0363 1.1525 0.9870 0.0337 0.0949 0.0564 369 ARG A CA 472 C C . ARG A 65 ? 0.9330 1.0330 0.8875 0.0399 0.0894 0.0651 369 ARG A C 473 O O . ARG A 65 ? 0.9315 1.0359 0.8866 0.0399 0.0837 0.0749 369 ARG A O 474 C CB . ARG A 65 ? 1.1582 1.2728 1.1053 0.0333 0.0936 0.0533 369 ARG A CB 475 C CG . ARG A 65 ? 1.3129 1.4388 1.2562 0.0280 0.1023 0.0407 369 ARG A CG 476 C CD . ARG A 65 ? 1.4540 1.5836 1.3927 0.0267 0.1003 0.0376 369 ARG A CD 477 N NE . ARG A 65 ? 1.5434 1.6935 1.4808 0.0235 0.0936 0.0454 369 ARG A NE 478 C CZ . ARG A 65 ? 1.5720 1.7315 1.5065 0.0222 0.0907 0.0437 369 ARG A CZ 479 N NH1 . ARG A 65 ? 1.5660 1.7163 1.4977 0.0230 0.0945 0.0329 369 ARG A NH1 480 N NH2 . ARG A 65 ? 1.5809 1.7592 1.5149 0.0199 0.0837 0.0526 369 ARG A NH2 481 N N . THR A 66 ? 0.8732 0.9550 0.8299 0.0446 0.0917 0.0615 370 THR A N 482 C CA . THR A 66 ? 0.8516 0.9199 0.8122 0.0496 0.0875 0.0688 370 THR A CA 483 C C . THR A 66 ? 0.8191 0.8744 0.7799 0.0510 0.0836 0.0706 370 THR A C 484 O O . THR A 66 ? 0.8402 0.8865 0.7982 0.0506 0.0864 0.0631 370 THR A O 485 C CB . THR A 66 ? 0.8386 0.8974 0.8027 0.0535 0.0921 0.0649 370 THR A CB 486 O OG1 . THR A 66 ? 0.8275 0.8995 0.7938 0.0518 0.0949 0.0632 370 THR A OG1 487 C CG2 . THR A 66 ? 0.8226 0.8688 0.7903 0.0581 0.0881 0.0719 370 THR A CG2 488 N N . PHE A 67 ? 0.7707 0.8251 0.7351 0.0519 0.0775 0.0797 371 PHE A N 489 C CA . PHE A 67 ? 0.7648 0.8092 0.7320 0.0519 0.0738 0.0808 371 PHE A CA 490 C C . PHE A 67 ? 0.8155 0.8483 0.7879 0.0541 0.0728 0.0850 371 PHE A C 491 O O . PHE A 67 ? 0.8592 0.8957 0.8349 0.0556 0.0719 0.0918 371 PHE A O 492 C CB . PHE A 67 ? 0.6834 0.7368 0.6533 0.0502 0.0680 0.0869 371 PHE A CB 493 C CG . PHE A 67 ? 0.6187 0.6850 0.5835 0.0476 0.0682 0.0828 371 PHE A CG 494 C CD1 . PHE A 67 ? 0.5487 0.6127 0.5113 0.0461 0.0686 0.0745 371 PHE A CD1 495 C CD2 . PHE A 67 ? 0.7083 0.7903 0.6699 0.0457 0.0684 0.0864 371 PHE A CD2 496 C CE1 . PHE A 67 ? 0.5486 0.6269 0.5064 0.0434 0.0694 0.0701 371 PHE A CE1 497 C CE2 . PHE A 67 ? 0.7163 0.8130 0.6732 0.0422 0.0689 0.0827 371 PHE A CE2 498 C CZ . PHE A 67 ? 0.6512 0.7465 0.6063 0.0414 0.0695 0.0746 371 PHE A CZ 499 N N . TYR A 68 ? 0.7920 0.8118 0.7643 0.0534 0.0732 0.0803 372 TYR A N 500 C CA . TYR A 68 ? 0.7470 0.7569 0.7234 0.0542 0.0728 0.0834 372 TYR A CA 501 C C . TYR A 68 ? 0.7867 0.7946 0.7704 0.0508 0.0688 0.0865 372 TYR A C 502 O O . TYR A 68 ? 0.8555 0.8574 0.8435 0.0495 0.0685 0.0887 372 TYR A O 503 C CB . TYR A 68 ? 0.7099 0.7062 0.6811 0.0545 0.0761 0.0766 372 TYR A CB 504 C CG . TYR A 68 ? 0.6805 0.6779 0.6467 0.0573 0.0812 0.0715 372 TYR A CG 505 C CD1 . TYR A 68 ? 0.7210 0.7198 0.6898 0.0618 0.0833 0.0742 372 TYR A CD1 506 C CD2 . TYR A 68 ? 0.6498 0.6482 0.6100 0.0550 0.0846 0.0629 372 TYR A CD2 507 C CE1 . TYR A 68 ? 0.8119 0.8123 0.7789 0.0638 0.0885 0.0683 372 TYR A CE1 508 C CE2 . TYR A 68 ? 0.7166 0.7173 0.6742 0.0565 0.0907 0.0572 372 TYR A CE2 509 C CZ . TYR A 68 ? 0.8346 0.8359 0.7964 0.0608 0.0926 0.0598 372 TYR A CZ 510 O OH . TYR A 68 ? 0.8574 0.8615 0.8195 0.0618 0.0992 0.0530 372 TYR A OH 511 N N . SER A 69 ? 0.7473 0.7616 0.7334 0.0489 0.0657 0.0866 373 SER A N 512 C CA . SER A 69 ? 0.7031 0.7168 0.6991 0.0457 0.0621 0.0889 373 SER A CA 513 C C . SER A 69 ? 0.6534 0.6769 0.6521 0.0461 0.0584 0.0913 373 SER A C 514 O O . SER A 69 ? 0.7060 0.7374 0.6977 0.0480 0.0588 0.0913 373 SER A O 515 C CB . SER A 69 ? 0.7217 0.7247 0.7180 0.0409 0.0620 0.0803 373 SER A CB 516 O OG . SER A 69 ? 0.7377 0.7404 0.7274 0.0397 0.0620 0.0715 373 SER A OG 517 N N . CYS A 70 ? 0.5531 0.5770 0.5630 0.0439 0.0548 0.0932 374 CYS A N 518 C CA . CYS A 70 ? 0.5595 0.5923 0.5735 0.0451 0.0502 0.0967 374 CYS A CA 519 C C . CYS A 70 ? 0.6279 0.6645 0.6339 0.0448 0.0495 0.0880 374 CYS A C 520 O O . CYS A 70 ? 0.6315 0.6609 0.6315 0.0424 0.0523 0.0777 374 CYS A O 521 C CB . CYS A 70 ? 0.5361 0.5672 0.5662 0.0428 0.0469 0.0982 374 CYS A CB 522 S SG . CYS A 70 ? 0.8345 0.8633 0.8754 0.0417 0.0497 0.1069 374 CYS A SG 523 N N . THR A 71 ? 0.6761 0.7245 0.6811 0.0467 0.0460 0.0923 375 THR A N 524 C CA . THR A 71 ? 0.7274 0.7831 0.7252 0.0460 0.0456 0.0841 375 THR A CA 525 C C . THR A 71 ? 0.7165 0.7825 0.7219 0.0472 0.0388 0.0875 375 THR A C 526 O O . THR A 71 ? 0.6521 0.7199 0.6675 0.0492 0.0342 0.0984 375 THR A O 527 C CB . THR A 71 ? 0.8028 0.8675 0.7878 0.0464 0.0498 0.0836 375 THR A CB 528 O OG1 . THR A 71 ? 0.8594 0.9338 0.8450 0.0479 0.0473 0.0959 375 THR A OG1 529 C CG2 . THR A 71 ? 0.8738 0.9281 0.8524 0.0459 0.0565 0.0785 375 THR A CG2 530 N N . THR A 72 ? 0.7465 0.8191 0.7473 0.0460 0.0384 0.0777 376 THR A N 531 C CA . THR A 72 ? 0.7261 0.8117 0.7325 0.0477 0.0317 0.0799 376 THR A CA 532 C C . THR A 72 ? 0.6965 0.7990 0.6905 0.0476 0.0330 0.0816 376 THR A C 533 O O . THR A 72 ? 0.6637 0.7813 0.6587 0.0486 0.0280 0.0837 376 THR A O 534 C CB . THR A 72 ? 0.7001 0.7841 0.7098 0.0455 0.0308 0.0653 376 THR A CB 535 O OG1 . THR A 72 ? 0.7142 0.7995 0.7088 0.0424 0.0376 0.0523 376 THR A OG1 536 C CG2 . THR A 72 ? 0.6406 0.7084 0.6612 0.0429 0.0310 0.0606 376 THR A CG2 537 N N . GLU A 73 ? 0.7013 0.8024 0.6846 0.0459 0.0400 0.0803 377 GLU A N 538 C CA . GLU A 73 ? 0.7911 0.9089 0.7634 0.0438 0.0432 0.0800 377 GLU A CA 539 C C . GLU A 73 ? 0.8311 0.9637 0.8055 0.0447 0.0364 0.0947 377 GLU A C 540 O O . GLU A 73 ? 0.8724 0.9992 0.8513 0.0464 0.0336 0.1064 377 GLU A O 541 C CB . GLU A 73 ? 0.8771 0.9889 0.8419 0.0421 0.0514 0.0773 377 GLU A CB 542 C CG . GLU A 73 ? 0.9595 1.0888 0.9146 0.0382 0.0567 0.0739 377 GLU A CG 543 C CD . GLU A 73 ? 1.0422 1.1762 0.9906 0.0352 0.0633 0.0583 377 GLU A CD 544 O OE1 . GLU A 73 ? 1.0457 1.1652 0.9947 0.0360 0.0647 0.0493 377 GLU A OE1 545 O OE2 . GLU A 73 ? 1.0747 1.2274 1.0167 0.0309 0.0677 0.0544 377 GLU A OE2 546 N N . GLY A 74 ? 0.7910 0.9431 0.7615 0.0432 0.0339 0.0941 378 GLY A N 547 C CA . GLY A 74 ? 0.7616 0.9291 0.7325 0.0432 0.0268 0.1087 378 GLY A CA 548 C C . GLY A 74 ? 0.7800 0.9455 0.7637 0.0483 0.0165 0.1180 378 GLY A C 549 O O . GLY A 74 ? 0.8494 1.0279 0.8341 0.0490 0.0093 0.1304 378 GLY A O 550 N N . ARG A 75 ? 0.7555 0.9050 0.7499 0.0513 0.0158 0.1118 379 ARG A N 551 C CA . ARG A 75 ? 0.7533 0.9004 0.7632 0.0559 0.0069 0.1180 379 ARG A CA 552 C C . ARG A 75 ? 0.7983 0.9573 0.8105 0.0567 0.0037 0.1075 379 ARG A C 553 O O . ARG A 75 ? 0.8478 1.0048 0.8546 0.0540 0.0096 0.0909 379 ARG A O 554 C CB . ARG A 75 ? 0.7703 0.8959 0.7929 0.0573 0.0081 0.1160 379 ARG A CB 555 C CG . ARG A 75 ? 0.7487 0.8638 0.7720 0.0573 0.0102 0.1276 379 ARG A CG 556 C CD . ARG A 75 ? 0.6662 0.7867 0.6952 0.0601 0.0030 0.1453 379 ARG A CD 557 N NE . ARG A 75 ? 0.5994 0.7147 0.6479 0.0642 -0.0036 0.1488 379 ARG A NE 558 C CZ . ARG A 75 ? 0.5872 0.7019 0.6449 0.0673 -0.0097 0.1644 379 ARG A CZ 559 N NH1 . ARG A 75 ? 0.6062 0.7252 0.6530 0.0662 -0.0102 0.1777 379 ARG A NH1 560 N NH2 . ARG A 75 ? 0.5733 0.6829 0.6514 0.0712 -0.0150 0.1662 379 ARG A NH2 561 N N . GLN A 76 ? 0.8107 0.9820 0.8309 0.0604 -0.0058 0.1172 380 GLN A N 562 C CA . GLN A 76 ? 0.8040 0.9889 0.8283 0.0620 -0.0100 0.1077 380 GLN A CA 563 C C . GLN A 76 ? 0.7430 0.9136 0.7853 0.0649 -0.0130 0.0993 380 GLN A C 564 O O . GLN A 76 ? 0.7382 0.9132 0.7819 0.0639 -0.0124 0.0833 380 GLN A O 565 C CB . GLN A 76 ? 0.8723 1.0780 0.8983 0.0652 -0.0198 0.1223 380 GLN A CB 566 C CG . GLN A 76 ? 0.9550 1.1767 0.9636 0.0602 -0.0170 0.1307 380 GLN A CG 567 C CD . GLN A 76 ? 1.0561 1.2928 1.0669 0.0626 -0.0276 0.1508 380 GLN A CD 568 O OE1 . GLN A 76 ? 1.1083 1.3509 1.1318 0.0685 -0.0374 0.1560 380 GLN A OE1 569 N NE2 . GLN A 76 ? 1.0686 1.3120 1.0674 0.0576 -0.0261 0.1620 380 GLN A NE2 570 N N . ASP A 77 ? 0.6573 0.8116 0.7137 0.0672 -0.0154 0.1090 381 ASP A N 571 C CA . ASP A 77 ? 0.6250 0.7671 0.7018 0.0686 -0.0180 0.1017 381 ASP A CA 572 C C . ASP A 77 ? 0.6740 0.7980 0.7493 0.0631 -0.0092 0.0887 381 ASP A C 573 O O . ASP A 77 ? 0.6212 0.7344 0.7133 0.0619 -0.0099 0.0820 381 ASP A O 574 C CB . ASP A 77 ? 0.6219 0.7579 0.7180 0.0738 -0.0250 0.1186 381 ASP A CB 575 C CG . ASP A 77 ? 0.6495 0.7751 0.7400 0.0727 -0.0210 0.1327 381 ASP A CG 576 O OD1 . ASP A 77 ? 0.6518 0.7740 0.7255 0.0683 -0.0130 0.1284 381 ASP A OD1 577 O OD2 . ASP A 77 ? 0.6160 0.7366 0.7193 0.0763 -0.0255 0.1476 381 ASP A OD2 578 N N . GLY A 78 ? 0.7411 0.8627 0.7973 0.0592 -0.0011 0.0852 382 GLY A N 579 C CA . GLY A 78 ? 0.7509 0.8569 0.8027 0.0540 0.0069 0.0729 382 GLY A CA 580 C C . GLY A 78 ? 0.7650 0.8549 0.8276 0.0530 0.0087 0.0796 382 GLY A C 581 O O . GLY A 78 ? 0.7652 0.8429 0.8302 0.0483 0.0131 0.0693 382 GLY A O 582 N N . HIS A 79 ? 0.7848 0.8754 0.8534 0.0567 0.0056 0.0966 383 HIS A N 583 C CA . HIS A 79 ? 0.7473 0.8248 0.8242 0.0555 0.0089 0.1031 383 HIS A CA 584 C C . HIS A 79 ? 0.7551 0.8264 0.8155 0.0524 0.0169 0.1010 383 HIS A C 585 O O . HIS A 79 ? 0.7281 0.8063 0.7716 0.0526 0.0191 0.1004 383 HIS A O 586 C CB . HIS A 79 ? 0.7030 0.7827 0.7875 0.0598 0.0046 0.1215 383 HIS A CB 587 C CG . HIS A 79 ? 0.6902 0.7654 0.7995 0.0615 0.0002 0.1246 383 HIS A CG 588 N ND1 . HIS A 79 ? 0.6796 0.7629 0.8009 0.0661 -0.0082 0.1278 383 HIS A ND1 589 C CD2 . HIS A 79 ? 0.7089 0.7732 0.8346 0.0590 0.0037 0.1247 383 HIS A CD2 590 C CE1 . HIS A 79 ? 0.6832 0.7594 0.8285 0.0667 -0.0099 0.1295 383 HIS A CE1 591 N NE2 . HIS A 79 ? 0.7041 0.7691 0.8525 0.0618 -0.0022 0.1273 383 HIS A NE2 592 N N . LEU A 80 ? 0.7420 0.8012 0.8084 0.0493 0.0214 0.0994 384 LEU A N 593 C CA . LEU A 80 ? 0.7351 0.7885 0.7885 0.0475 0.0281 0.0996 384 LEU A CA 594 C C . LEU A 80 ? 0.7279 0.7823 0.7811 0.0500 0.0288 0.1144 384 LEU A C 595 O O . LEU A 80 ? 0.7524 0.8052 0.8198 0.0509 0.0267 0.1224 384 LEU A O 596 C CB . LEU A 80 ? 0.7431 0.7848 0.8017 0.0422 0.0325 0.0906 384 LEU A CB 597 C CG . LEU A 80 ? 0.7255 0.7631 0.7778 0.0378 0.0340 0.0746 384 LEU A CG 598 C CD1 . LEU A 80 ? 0.7210 0.7479 0.7800 0.0312 0.0374 0.0680 384 LEU A CD1 599 C CD2 . LEU A 80 ? 0.7336 0.7724 0.7655 0.0390 0.0379 0.0710 384 LEU A CD2 600 N N . TRP A 81 ? 0.7031 0.7602 0.7408 0.0506 0.0323 0.1170 385 TRP A N 601 C CA . TRP A 81 ? 0.6891 0.7477 0.7243 0.0519 0.0337 0.1290 385 TRP A CA 602 C C . TRP A 81 ? 0.7530 0.8097 0.7754 0.0510 0.0398 0.1263 385 TRP A C 603 O O . TRP A 81 ? 0.8232 0.8781 0.8377 0.0501 0.0427 0.1166 385 TRP A O 604 C CB . TRP A 81 ? 0.6262 0.6960 0.6570 0.0540 0.0285 0.1391 385 TRP A CB 605 C CG . TRP A 81 ? 0.5590 0.6398 0.5751 0.0533 0.0286 0.1345 385 TRP A CG 606 C CD1 . TRP A 81 ? 0.5432 0.6312 0.5576 0.0534 0.0260 0.1271 385 TRP A CD1 607 C CD2 . TRP A 81 ? 0.6056 0.6930 0.6075 0.0517 0.0324 0.1358 385 TRP A CD2 608 N NE1 . TRP A 81 ? 0.5863 0.6854 0.5864 0.0515 0.0286 0.1239 385 TRP A NE1 609 C CE2 . TRP A 81 ? 0.6105 0.7094 0.6036 0.0502 0.0324 0.1290 385 TRP A CE2 610 C CE3 . TRP A 81 ? 0.6652 0.7511 0.6617 0.0506 0.0361 0.1408 385 TRP A CE3 611 C CZ2 . TRP A 81 ? 0.6360 0.7450 0.6166 0.0472 0.0365 0.1271 385 TRP A CZ2 612 C CZ3 . TRP A 81 ? 0.6730 0.7684 0.6569 0.0481 0.0393 0.1386 385 TRP A CZ3 613 C CH2 . TRP A 81 ? 0.6704 0.7773 0.6474 0.0462 0.0396 0.1318 385 TRP A CH2 614 N N . CYS A 82 ? 0.7492 0.8062 0.7700 0.0513 0.0420 0.1347 386 CYS A N 615 C CA . CYS A 82 ? 0.7507 0.8071 0.7617 0.0510 0.0475 0.1325 386 CYS A CA 616 C C . CYS A 82 ? 0.7293 0.7915 0.7356 0.0509 0.0479 0.1422 386 CYS A C 617 O O . CYS A 82 ? 0.7283 0.7890 0.7420 0.0509 0.0465 0.1505 386 CYS A O 618 C CB . CYS A 82 ? 0.7497 0.7965 0.7671 0.0501 0.0517 0.1285 386 CYS A CB 619 S SG . CYS A 82 ? 0.9542 0.9976 0.9876 0.0485 0.0523 0.1360 386 CYS A SG 620 N N . SER A 83 ? 0.7259 0.7947 0.7203 0.0503 0.0502 0.1405 387 SER A N 621 C CA . SER A 83 ? 0.7653 0.8395 0.7540 0.0487 0.0512 0.1478 387 SER A CA 622 C C . SER A 83 ? 0.8086 0.8760 0.8017 0.0491 0.0560 0.1484 387 SER A C 623 O O . SER A 83 ? 0.8108 0.8717 0.8088 0.0504 0.0588 0.1423 387 SER A O 624 C CB . SER A 83 ? 0.7482 0.8326 0.7247 0.0464 0.0532 0.1437 387 SER A CB 625 O OG . SER A 83 ? 0.7800 0.8609 0.7550 0.0476 0.0586 0.1353 387 SER A OG 626 N N . THR A 84 ? 0.7877 0.8574 0.7785 0.0474 0.0571 0.1556 388 THR A N 627 C CA . THR A 84 ? 0.7246 0.7902 0.7194 0.0472 0.0625 0.1560 388 THR A CA 628 C C . THR A 84 ? 0.7189 0.7905 0.7031 0.0462 0.0667 0.1520 388 THR A C 629 O O . THR A 84 ? 0.6920 0.7636 0.6767 0.0455 0.0715 0.1522 388 THR A O 630 C CB . THR A 84 ? 0.6566 0.7193 0.6577 0.0457 0.0624 0.1657 388 THR A CB 631 O OG1 . THR A 84 ? 0.7199 0.7881 0.7105 0.0433 0.0599 0.1727 388 THR A OG1 632 C CG2 . THR A 84 ? 0.4918 0.5490 0.5067 0.0470 0.0582 0.1683 388 THR A CG2 633 N N . THR A 85 ? 0.7275 0.8056 0.7032 0.0456 0.0653 0.1475 389 THR A N 634 C CA . THR A 85 ? 0.7611 0.8455 0.7293 0.0448 0.0692 0.1409 389 THR A CA 635 C C . THR A 85 ? 0.7890 0.8742 0.7569 0.0468 0.0694 0.1320 389 THR A C 636 O O . THR A 85 ? 0.8269 0.9099 0.7969 0.0475 0.0664 0.1317 389 THR A O 637 C CB . THR A 85 ? 0.7738 0.8681 0.7313 0.0391 0.0686 0.1439 389 THR A CB 638 O OG1 . THR A 85 ? 0.8033 0.9042 0.7565 0.0365 0.0642 0.1453 389 THR A OG1 639 C CG2 . THR A 85 ? 0.7621 0.8535 0.7189 0.0368 0.0686 0.1535 389 THR A CG2 640 N N . SER A 86 ? 0.7940 0.8820 0.7599 0.0479 0.0732 0.1243 390 SER A N 641 C CA . SER A 86 ? 0.7926 0.8799 0.7594 0.0500 0.0745 0.1158 390 SER A CA 642 C C . SER A 86 ? 0.7530 0.8502 0.7141 0.0453 0.0732 0.1138 390 SER A C 643 O O . SER A 86 ? 0.6842 0.7807 0.6461 0.0459 0.0738 0.1083 390 SER A O 644 C CB . SER A 86 ? 0.8375 0.9260 0.8055 0.0526 0.0787 0.1082 390 SER A CB 645 O OG . SER A 86 ? 0.9049 1.0053 0.8676 0.0483 0.0805 0.1050 390 SER A OG 646 N N . ASN A 87 ? 0.7912 0.8985 0.7461 0.0398 0.0719 0.1182 391 ASN A N 647 C CA . ASN A 87 ? 0.8554 0.9758 0.8042 0.0335 0.0707 0.1170 391 ASN A CA 648 C C . ASN A 87 ? 0.8516 0.9747 0.7969 0.0306 0.0648 0.1285 391 ASN A C 649 O O . ASN A 87 ? 0.8359 0.9607 0.7768 0.0274 0.0633 0.1358 391 ASN A O 650 C CB . ASN A 87 ? 0.9146 1.0473 0.8583 0.0274 0.0741 0.1109 391 ASN A CB 651 C CG . ASN A 87 ? 0.9292 1.0781 0.8678 0.0192 0.0742 0.1075 391 ASN A CG 652 O OD1 . ASN A 87 ? 0.9259 1.0780 0.8634 0.0181 0.0710 0.1115 391 ASN A OD1 653 N ND2 . ASN A 87 ? 0.9256 1.0866 0.8619 0.0126 0.0780 0.0991 391 ASN A ND2 654 N N . TYR A 88 ? 0.8484 0.9718 0.7957 0.0317 0.0616 0.1299 392 TYR A N 655 C CA . TYR A 88 ? 0.8579 0.9830 0.8047 0.0308 0.0551 0.1411 392 TYR A CA 656 C C . TYR A 88 ? 0.8765 1.0187 0.8142 0.0229 0.0524 0.1449 392 TYR A C 657 O O . TYR A 88 ? 0.8856 1.0310 0.8219 0.0217 0.0462 0.1557 392 TYR A O 658 C CB . TYR A 88 ? 0.8941 1.0134 0.8476 0.0353 0.0523 0.1400 392 TYR A CB 659 C CG . TYR A 88 ? 0.8862 1.0096 0.8407 0.0348 0.0450 0.1507 392 TYR A CG 660 C CD1 . TYR A 88 ? 0.8881 1.0023 0.8484 0.0374 0.0415 0.1612 392 TYR A CD1 661 C CD2 . TYR A 88 ? 0.8492 0.9867 0.7996 0.0317 0.0420 0.1504 392 TYR A CD2 662 C CE1 . TYR A 88 ? 0.9023 1.0193 0.8654 0.0378 0.0344 0.1716 392 TYR A CE1 663 C CE2 . TYR A 88 ? 0.8816 1.0238 0.8336 0.0320 0.0344 0.1610 392 TYR A CE2 664 C CZ . TYR A 88 ? 0.9189 1.0499 0.8777 0.0356 0.0302 0.1720 392 TYR A CZ 665 O OH . TYR A 88 ? 0.9461 1.0808 0.9083 0.0368 0.0223 0.1832 392 TYR A OH 666 N N . GLU A 89 ? 0.9253 1.0794 0.8577 0.0169 0.0569 0.1362 393 GLU A N 667 C CA . GLU A 89 ? 0.9693 1.1424 0.8929 0.0071 0.0549 0.1387 393 GLU A CA 668 C C . GLU A 89 ? 0.9766 1.1522 0.8926 0.0010 0.0549 0.1432 393 GLU A C 669 O O . GLU A 89 ? 0.9821 1.1608 0.8917 -0.0031 0.0494 0.1552 393 GLU A O 670 C CB . GLU A 89 ? 1.0172 1.2049 0.9404 0.0018 0.0607 0.1254 393 GLU A CB 671 C CG . GLU A 89 ? 1.0937 1.2794 1.0225 0.0068 0.0618 0.1198 393 GLU A CG 672 C CD . GLU A 89 ? 1.1983 1.3652 1.1349 0.0157 0.0661 0.1123 393 GLU A CD 673 O OE1 . GLU A 89 ? 1.2028 1.3536 1.1433 0.0225 0.0631 0.1187 393 GLU A OE1 674 O OE2 . GLU A 89 ? 1.2409 1.4095 1.1801 0.0154 0.0728 0.1001 393 GLU A OE2 675 N N . GLN A 90 ? 1.0383 1.2121 0.9549 0.0004 0.0610 0.1333 394 GLN A N 676 C CA . GLN A 90 ? 1.1514 1.3261 1.0609 -0.0050 0.0620 0.1351 394 GLN A CA 677 C C . GLN A 90 ? 1.1739 1.3362 1.0816 -0.0016 0.0574 0.1496 394 GLN A C 678 O O . GLN A 90 ? 1.2066 1.3737 1.1053 -0.0083 0.0531 0.1597 394 GLN A O 679 C CB . GLN A 90 ? 1.2039 1.3732 1.1183 -0.0013 0.0686 0.1232 394 GLN A CB 680 C CG . GLN A 90 ? 1.2789 1.4488 1.1861 -0.0062 0.0706 0.1228 394 GLN A CG 681 C CD . GLN A 90 ? 1.3392 1.5039 1.2529 -0.0007 0.0764 0.1118 394 GLN A CD 682 O OE1 . GLN A 90 ? 1.3911 1.5614 1.3108 -0.0001 0.0801 0.0997 394 GLN A OE1 683 N NE2 . GLN A 90 ? 1.3165 1.4711 1.2295 0.0034 0.0774 0.1158 394 GLN A NE2 684 N N . ASP A 91 ? 1.1202 1.2665 1.0368 0.0080 0.0587 0.1505 395 ASP A N 685 C CA . ASP A 91 ? 1.0864 1.2205 1.0058 0.0120 0.0551 0.1632 395 ASP A CA 686 C C . ASP A 91 ? 1.0143 1.1487 0.9396 0.0156 0.0494 0.1686 395 ASP A C 687 O O . ASP A 91 ? 1.0299 1.1727 0.9559 0.0150 0.0496 0.1613 395 ASP A O 688 C CB . ASP A 91 ? 1.1471 1.2675 1.0756 0.0195 0.0596 0.1601 395 ASP A CB 689 C CG . ASP A 91 ? 1.2288 1.3519 1.1534 0.0175 0.0660 0.1505 395 ASP A CG 690 O OD1 . ASP A 91 ? 1.2752 1.4082 1.1892 0.0094 0.0669 0.1483 395 ASP A OD1 691 O OD2 . ASP A 91 ? 1.2373 1.3534 1.1695 0.0236 0.0700 0.1448 395 ASP A OD2 692 N N . GLN A 92 ? 0.9767 1.1024 0.9068 0.0190 0.0447 0.1803 396 GLN A N 693 C CA . GLN A 92 ? 0.9621 1.0888 0.8991 0.0229 0.0388 0.1843 396 GLN A CA 694 C C . GLN A 92 ? 0.9318 1.0439 0.8813 0.0296 0.0362 0.1921 396 GLN A C 695 O O . GLN A 92 ? 0.9371 1.0497 0.8905 0.0310 0.0294 0.2021 396 GLN A O 696 C CB . GLN A 92 ? 1.0081 1.1500 0.9360 0.0164 0.0326 0.1921 396 GLN A CB 697 C CG . GLN A 92 ? 1.0592 1.2071 0.9928 0.0198 0.0272 0.1932 396 GLN A CG 698 C CD . GLN A 92 ? 1.1021 1.2690 1.0260 0.0124 0.0215 0.2002 396 GLN A CD 699 O OE1 . GLN A 92 ? 1.0767 1.2542 0.9887 0.0032 0.0229 0.2006 396 GLN A OE1 700 N NE2 . GLN A 92 ? 1.1362 1.3088 1.0650 0.0157 0.0149 0.2053 396 GLN A NE2 701 N N . LYS A 93 ? 0.8880 0.9886 0.8452 0.0333 0.0416 0.1872 397 LYS A N 702 C CA . LYS A 93 ? 0.8542 0.9423 0.8256 0.0382 0.0409 0.1922 397 LYS A CA 703 C C . LYS A 93 ? 0.7701 0.8529 0.7527 0.0429 0.0421 0.1828 397 LYS A C 704 O O . LYS A 93 ? 0.7298 0.8141 0.7092 0.0432 0.0460 0.1722 397 LYS A O 705 C CB . LYS A 93 ? 0.8909 0.9710 0.8631 0.0370 0.0468 0.1949 397 LYS A CB 706 C CG . LYS A 93 ? 0.9462 1.0283 0.9075 0.0319 0.0455 0.2053 397 LYS A CG 707 C CD . LYS A 93 ? 1.0310 1.1051 0.9930 0.0304 0.0528 0.2064 397 LYS A CD 708 C CE . LYS A 93 ? 1.0945 1.1697 1.0427 0.0241 0.0523 0.2156 397 LYS A CE 709 N NZ . LYS A 93 ? 1.1086 1.1777 1.0546 0.0215 0.0612 0.2140 397 LYS A NZ 710 N N . TYR A 94 ? 0.7542 0.8304 0.7504 0.0462 0.0386 0.1864 398 TYR A N 711 C CA . TYR A 94 ? 0.7466 0.8184 0.7533 0.0491 0.0388 0.1774 398 TYR A CA 712 C C . TYR A 94 ? 0.7275 0.7897 0.7520 0.0509 0.0383 0.1808 398 TYR A C 713 O O . TYR A 94 ? 0.7527 0.8117 0.7818 0.0506 0.0380 0.1906 398 TYR A O 714 C CB . TYR A 94 ? 0.7840 0.8638 0.7880 0.0500 0.0329 0.1749 398 TYR A CB 715 C CG . TYR A 94 ? 0.7656 0.8472 0.7777 0.0519 0.0253 0.1849 398 TYR A CG 716 C CD1 . TYR A 94 ? 0.7240 0.7999 0.7524 0.0550 0.0224 0.1825 398 TYR A CD1 717 C CD2 . TYR A 94 ? 0.7647 0.8540 0.7689 0.0502 0.0206 0.1968 398 TYR A CD2 718 C CE1 . TYR A 94 ? 0.7038 0.7813 0.7419 0.0577 0.0150 0.1914 398 TYR A CE1 719 C CE2 . TYR A 94 ? 0.7914 0.8818 0.8037 0.0528 0.0128 0.2073 398 TYR A CE2 720 C CZ . TYR A 94 ? 0.7833 0.8677 0.8134 0.0572 0.0100 0.2045 398 TYR A CZ 721 O OH . TYR A 94 ? 0.8472 0.9331 0.8877 0.0607 0.0018 0.2145 398 TYR A OH 722 N N . SER A 95 ? 0.7012 0.7591 0.7362 0.0520 0.0387 0.1720 399 SER A N 723 C CA . SER A 95 ? 0.6938 0.7451 0.7485 0.0526 0.0375 0.1730 399 SER A CA 724 C C . SER A 95 ? 0.6397 0.6899 0.7016 0.0528 0.0353 0.1619 399 SER A C 725 O O . SER A 95 ? 0.6231 0.6757 0.6741 0.0524 0.0360 0.1535 399 SER A O 726 C CB . SER A 95 ? 0.7181 0.7630 0.7815 0.0501 0.0450 0.1733 399 SER A CB 727 O OG . SER A 95 ? 0.7444 0.7899 0.7980 0.0484 0.0509 0.1664 399 SER A OG 728 N N . PHE A 96 ? 0.6505 0.6968 0.7312 0.0529 0.0329 0.1610 400 PHE A N 729 C CA . PHE A 96 ? 0.6678 0.7135 0.7556 0.0520 0.0306 0.1491 400 PHE A CA 730 C C . PHE A 96 ? 0.6539 0.6934 0.7479 0.0470 0.0368 0.1386 400 PHE A C 731 O O . PHE A 96 ? 0.6245 0.6606 0.7259 0.0443 0.0423 0.1412 400 PHE A O 732 C CB . PHE A 96 ? 0.6469 0.6934 0.7530 0.0541 0.0242 0.1512 400 PHE A CB 733 C CG . PHE A 96 ? 0.6124 0.6669 0.7122 0.0589 0.0165 0.1608 400 PHE A CG 734 C CD1 . PHE A 96 ? 0.5876 0.6414 0.6953 0.0617 0.0132 0.1750 400 PHE A CD1 735 C CD2 . PHE A 96 ? 0.5701 0.6335 0.6558 0.0599 0.0131 0.1557 400 PHE A CD2 736 C CE1 . PHE A 96 ? 0.5706 0.6327 0.6718 0.0655 0.0054 0.1850 400 PHE A CE1 737 C CE2 . PHE A 96 ? 0.5174 0.5911 0.5972 0.0633 0.0061 0.1646 400 PHE A CE2 738 C CZ . PHE A 96 ? 0.5426 0.6158 0.6299 0.0661 0.0017 0.1798 400 PHE A CZ 739 N N . CYS A 97 ? 0.6527 0.6912 0.7428 0.0450 0.0361 0.1266 401 CYS A N 740 C CA . CYS A 97 ? 0.6322 0.6650 0.7258 0.0392 0.0409 0.1164 401 CYS A CA 741 C C . CYS A 97 ? 0.7244 0.7556 0.8349 0.0350 0.0383 0.1065 401 CYS A C 742 O O . CYS A 97 ? 0.7882 0.8227 0.9003 0.0374 0.0327 0.1031 401 CYS A O 743 C CB . CYS A 97 ? 0.5763 0.6075 0.6508 0.0390 0.0428 0.1096 401 CYS A CB 744 S SG . CYS A 97 ? 0.7643 0.8000 0.8196 0.0441 0.0445 0.1182 401 CYS A SG 745 N N . THR A 98 ? 0.7779 0.8057 0.9013 0.0280 0.0427 0.1012 402 THR A N 746 C CA . THR A 98 ? 0.8035 0.8304 0.9444 0.0218 0.0411 0.0897 402 THR A CA 747 C C . THR A 98 ? 0.9421 0.9655 1.0707 0.0169 0.0412 0.0761 402 THR A C 748 O O . THR A 98 ? 1.0129 1.0367 1.1452 0.0148 0.0373 0.0655 402 THR A O 749 C CB . THR A 98 ? 0.7128 0.7395 0.8737 0.0141 0.0468 0.0886 402 THR A CB 750 O OG1 . THR A 98 ? 0.7044 0.7295 0.8544 0.0095 0.0527 0.0877 402 THR A OG1 751 C CG2 . THR A 98 ? 0.7157 0.7445 0.8888 0.0184 0.0482 0.1015 402 THR A CG2 752 N N . ASP A 99 ? 1.0103 1.0299 1.1239 0.0150 0.0456 0.0764 403 ASP A N 753 C CA . ASP A 99 ? 1.1059 1.1198 1.2064 0.0099 0.0464 0.0649 403 ASP A CA 754 C C . ASP A 99 ? 1.1154 1.1268 1.1924 0.0161 0.0472 0.0679 403 ASP A C 755 O O . ASP A 99 ? 1.1300 1.1450 1.2011 0.0231 0.0476 0.0787 403 ASP A O 756 C CB . ASP A 99 ? 1.1829 1.1937 1.2891 -0.0001 0.0510 0.0605 403 ASP A CB 757 C CG . ASP A 99 ? 1.2745 1.2878 1.3802 0.0017 0.0557 0.0718 403 ASP A CG 758 O OD1 . ASP A 99 ? 1.3114 1.3258 1.4056 0.0105 0.0557 0.0812 403 ASP A OD1 759 O OD2 . ASP A 99 ? 1.2927 1.3082 1.4096 -0.0065 0.0597 0.0705 403 ASP A OD2 760 N N . HIS A 100 ? 1.1023 1.1073 1.1665 0.0127 0.0479 0.0575 404 HIS A N 761 C CA . HIS A 100 ? 1.1132 1.1154 1.1571 0.0178 0.0496 0.0582 404 HIS A CA 762 C C . HIS A 100 ? 1.1241 1.1170 1.1576 0.0144 0.0536 0.0565 404 HIS A C 763 O O . HIS A 100 ? 1.1523 1.1387 1.1705 0.0151 0.0555 0.0511 404 HIS A O 764 C CB . HIS A 100 ? 1.1338 1.1367 1.1693 0.0181 0.0477 0.0477 404 HIS A CB 765 C CG . HIS A 100 ? 1.1771 1.1783 1.1936 0.0224 0.0509 0.0469 404 HIS A CG 766 N ND1 . HIS A 100 ? 1.1965 1.1881 1.1997 0.0184 0.0544 0.0363 404 HIS A ND1 767 C CD2 . HIS A 100 ? 1.1902 1.1983 1.1996 0.0293 0.0517 0.0546 404 HIS A CD2 768 C CE1 . HIS A 100 ? 1.2122 1.2047 1.2022 0.0233 0.0577 0.0374 404 HIS A CE1 769 N NE2 . HIS A 100 ? 1.1983 1.2017 1.1922 0.0296 0.0561 0.0481 404 HIS A NE2 770 N N . THR A 101 ? 1.0858 1.0785 1.1280 0.0106 0.0554 0.0612 405 THR A N 771 C CA . THR A 101 ? 1.0708 1.0563 1.1039 0.0079 0.0584 0.0617 405 THR A CA 772 C C . THR A 101 ? 0.9648 0.9483 0.9834 0.0168 0.0602 0.0672 405 THR A C 773 O O . THR A 101 ? 0.9058 0.8967 0.9252 0.0239 0.0602 0.0750 405 THR A O 774 C CB . THR A 101 ? 1.1310 1.1211 1.1762 0.0031 0.0604 0.0675 405 THR A CB 775 O OG1 . THR A 101 ? 1.1119 1.1108 1.1638 0.0097 0.0613 0.0779 405 THR A OG1 776 C CG2 . THR A 101 ? 1.1820 1.1743 1.2430 -0.0081 0.0597 0.0596 405 THR A CG2 777 N N . VAL A 102 ? 0.8975 0.8707 0.9032 0.0158 0.0619 0.0626 406 VAL A N 778 C CA . VAL A 102 ? 0.8057 0.7760 0.7993 0.0236 0.0643 0.0655 406 VAL A CA 779 C C . VAL A 102 ? 0.7929 0.7548 0.7807 0.0236 0.0662 0.0686 406 VAL A C 780 O O . VAL A 102 ? 0.8274 0.7779 0.8081 0.0182 0.0666 0.0628 406 VAL A O 781 C CB . VAL A 102 ? 0.7497 0.7150 0.7319 0.0241 0.0655 0.0560 406 VAL A CB 782 C CG1 . VAL A 102 ? 0.7549 0.7171 0.7268 0.0310 0.0693 0.0577 406 VAL A CG1 783 C CG2 . VAL A 102 ? 0.7199 0.6957 0.7071 0.0252 0.0631 0.0538 406 VAL A CG2 784 N N . LEU A 103 ? 0.7447 0.7125 0.7351 0.0297 0.0671 0.0776 407 LEU A N 785 C CA . LEU A 103 ? 0.7266 0.6888 0.7133 0.0313 0.0682 0.0818 407 LEU A CA 786 C C . LEU A 103 ? 0.7282 0.6921 0.7104 0.0411 0.0702 0.0854 407 LEU A C 787 O O . LEU A 103 ? 0.7816 0.7567 0.7692 0.0456 0.0706 0.0911 407 LEU A O 788 C CB . LEU A 103 ? 0.7143 0.6848 0.7111 0.0275 0.0676 0.0883 407 LEU A CB 789 C CG . LEU A 103 ? 0.7081 0.6802 0.7134 0.0163 0.0664 0.0842 407 LEU A CG 790 C CD1 . LEU A 103 ? 0.7258 0.7079 0.7411 0.0122 0.0676 0.0904 407 LEU A CD1 791 C CD2 . LEU A 103 ? 0.7090 0.6678 0.7058 0.0088 0.0654 0.0762 407 LEU A CD2 792 N N . VAL A 104 ? 0.7024 0.6554 0.6754 0.0438 0.0722 0.0812 408 VAL A N 793 C CA . VAL A 104 ? 0.6805 0.6355 0.6513 0.0523 0.0749 0.0823 408 VAL A CA 794 C C . VAL A 104 ? 0.6850 0.6323 0.6546 0.0567 0.0754 0.0862 408 VAL A C 795 O O . VAL A 104 ? 0.6868 0.6194 0.6495 0.0559 0.0765 0.0830 408 VAL A O 796 C CB . VAL A 104 ? 0.6733 0.6238 0.6365 0.0528 0.0783 0.0736 408 VAL A CB 797 C CG1 . VAL A 104 ? 0.6796 0.6329 0.6426 0.0601 0.0820 0.0734 408 VAL A CG1 798 C CG2 . VAL A 104 ? 0.6217 0.5825 0.5865 0.0496 0.0771 0.0705 408 VAL A CG2 799 N N . GLN A 105 ? 0.7038 0.6609 0.6799 0.0614 0.0746 0.0930 409 GLN A N 800 C CA . GLN A 105 ? 0.8082 0.7605 0.7850 0.0664 0.0742 0.0976 409 GLN A CA 801 C C . GLN A 105 ? 0.8120 0.7607 0.7881 0.0747 0.0773 0.0945 409 GLN A C 802 O O . GLN A 105 ? 0.8058 0.7660 0.7856 0.0784 0.0792 0.0930 409 GLN A O 803 C CB . GLN A 105 ? 0.8522 0.8183 0.8367 0.0678 0.0725 0.1049 409 GLN A CB 804 C CG . GLN A 105 ? 0.8889 0.8524 0.8749 0.0731 0.0712 0.1103 409 GLN A CG 805 C CD . GLN A 105 ? 0.8976 0.8767 0.8904 0.0727 0.0701 0.1166 409 GLN A CD 806 O OE1 . GLN A 105 ? 0.8816 0.8725 0.8782 0.0684 0.0712 0.1168 409 GLN A OE1 807 N NE2 . GLN A 105 ? 0.9408 0.9205 0.9353 0.0770 0.0682 0.1219 409 GLN A NE2 808 N N . THR A 106 ? 0.8206 0.7535 0.7924 0.0767 0.0782 0.0932 410 THR A N 809 C CA . THR A 106 ? 0.8091 0.7369 0.7822 0.0839 0.0823 0.0892 410 THR A CA 810 C C . THR A 106 ? 0.8996 0.8327 0.8812 0.0926 0.0808 0.0947 410 THR A C 811 O O . THR A 106 ? 0.8834 0.8216 0.8678 0.0930 0.0766 0.1022 410 THR A O 812 C CB . THR A 106 ? 0.7433 0.6499 0.7086 0.0827 0.0849 0.0850 410 THR A CB 813 O OG1 . THR A 106 ? 0.7255 0.6207 0.6893 0.0835 0.0810 0.0925 410 THR A OG1 814 C CG2 . THR A 106 ? 0.7066 0.6081 0.6626 0.0735 0.0861 0.0785 410 THR A CG2 815 N N . ARG A 107 ? 1.0026 0.9360 0.9894 0.0990 0.0848 0.0898 411 ARG A N 816 C CA . ARG A 107 ? 1.1102 1.0479 1.1067 0.1081 0.0838 0.0928 411 ARG A CA 817 C C . ARG A 107 ? 0.9980 0.9212 0.9977 0.1136 0.0881 0.0878 411 ARG A C 818 O O . ARG A 107 ? 0.9601 0.8779 0.9565 0.1103 0.0938 0.0797 411 ARG A O 819 C CB . ARG A 107 ? 1.3470 1.3056 1.3504 0.1098 0.0848 0.0900 411 ARG A CB 820 C CG . ARG A 107 ? 1.5949 1.5670 1.5955 0.1042 0.0818 0.0945 411 ARG A CG 821 C CD . ARG A 107 ? 1.8295 1.8197 1.8336 0.1039 0.0839 0.0904 411 ARG A CD 822 N NE . ARG A 107 ? 1.8785 1.8802 1.8803 0.0987 0.0818 0.0950 411 ARG A NE 823 C CZ . ARG A 107 ? 1.8676 1.8721 1.8646 0.0921 0.0822 0.0943 411 ARG A CZ 824 N NH1 . ARG A 107 ? 1.8645 1.8632 1.8575 0.0895 0.0843 0.0889 411 ARG A NH1 825 N NH2 . ARG A 107 ? 1.8489 1.8628 1.8457 0.0881 0.0807 0.0988 411 ARG A NH2 826 N N . GLY A 108 ? 0.9448 0.8623 0.9518 0.1219 0.0858 0.0927 412 GLY A N 827 C CA . GLY A 108 ? 0.9445 0.8464 0.9566 0.1279 0.0900 0.0889 412 GLY A CA 828 C C . GLY A 108 ? 0.9605 0.8400 0.9606 0.1227 0.0918 0.0888 412 GLY A C 829 O O . GLY A 108 ? 0.9682 0.8435 0.9574 0.1158 0.0878 0.0939 412 GLY A O 830 N N . GLY A 109 ? 0.9857 0.8510 0.9880 0.1250 0.0987 0.0819 413 GLY A N 831 C CA . GLY A 109 ? 0.9722 0.8143 0.9623 0.1203 0.1016 0.0809 413 GLY A CA 832 C C . GLY A 109 ? 0.9876 0.8135 0.9736 0.1230 0.0946 0.0931 413 GLY A C 833 O O . GLY A 109 ? 0.9979 0.8300 0.9932 0.1308 0.0885 0.1018 413 GLY A O 834 N N . ASN A 110 ? 0.9658 0.7719 0.9369 0.1158 0.0952 0.0936 414 ASN A N 835 C CA . ASN A 110 ? 0.8831 0.6712 0.8479 0.1165 0.0890 0.1050 414 ASN A CA 836 C C . ASN A 110 ? 0.8587 0.6501 0.8109 0.1057 0.0822 0.1106 414 ASN A C 837 O O . ASN A 110 ? 0.8994 0.6735 0.8406 0.1007 0.0788 0.1167 414 ASN A O 838 C CB . ASN A 110 ? 0.8677 0.6274 0.8245 0.1155 0.0955 0.1010 414 ASN A CB 839 C CG . ASN A 110 ? 0.8781 0.6322 0.8198 0.1036 0.1024 0.0890 414 ASN A CG 840 O OD1 . ASN A 110 ? 0.8282 0.5989 0.7659 0.0963 0.1010 0.0849 414 ASN A OD1 841 N ND2 . ASN A 110 ? 0.9114 0.6422 0.8452 0.1017 0.1102 0.0829 414 ASN A ND2 842 N N . SER A 111 ? 0.8030 0.6166 0.7572 0.1012 0.0805 0.1083 415 SER A N 843 C CA . SER A 111 ? 0.7882 0.6064 0.7330 0.0895 0.0756 0.1111 415 SER A CA 844 C C . SER A 111 ? 0.7896 0.6295 0.7425 0.0903 0.0690 0.1198 415 SER A C 845 O O . SER A 111 ? 0.7541 0.6034 0.7033 0.0805 0.0664 0.1202 415 SER A O 846 C CB . SER A 111 ? 0.7803 0.6027 0.7183 0.0805 0.0803 0.0993 415 SER A CB 847 O OG . SER A 111 ? 0.8252 0.6281 0.7535 0.0779 0.0870 0.0904 415 SER A OG 848 N N . ASN A 112 ? 0.8243 0.6729 0.7892 0.1017 0.0670 0.1256 416 ASN A N 849 C CA . ASN A 112 ? 0.7870 0.6565 0.7593 0.1030 0.0615 0.1337 416 ASN A CA 850 C C . ASN A 112 ? 0.6826 0.5721 0.6559 0.0954 0.0623 0.1298 416 ASN A C 851 O O . ASN A 112 ? 0.6236 0.5258 0.5979 0.0900 0.0586 0.1356 416 ASN A O 852 C CB . ASN A 112 ? 0.8169 0.6806 0.7839 0.0987 0.0549 0.1451 416 ASN A CB 853 C CG . ASN A 112 ? 0.9027 0.7563 0.8747 0.1102 0.0516 0.1535 416 ASN A CG 854 O OD1 . ASN A 112 ? 0.9087 0.7659 0.8923 0.1224 0.0536 0.1513 416 ASN A OD1 855 N ND2 . ASN A 112 ? 1.0068 0.8483 0.9710 0.1061 0.0463 0.1633 416 ASN A ND2 856 N N . GLY A 113 ? 0.6653 0.5580 0.6389 0.0948 0.0675 0.1202 417 GLY A N 857 C CA . GLY A 113 ? 0.6382 0.5489 0.6139 0.0893 0.0682 0.1170 417 GLY A CA 858 C C . GLY A 113 ? 0.6430 0.5508 0.6111 0.0765 0.0673 0.1151 417 GLY A C 859 O O . GLY A 113 ? 0.6816 0.6043 0.6532 0.0711 0.0666 0.1154 417 GLY A O 860 N N . ALA A 114 ? 0.6100 0.4984 0.5680 0.0714 0.0678 0.1122 418 ALA A N 861 C CA . ALA A 114 ? 0.6130 0.4980 0.5638 0.0586 0.0672 0.1076 418 ALA A CA 862 C C . ALA A 114 ? 0.6648 0.5596 0.6178 0.0568 0.0705 0.0992 418 ALA A C 863 O O . ALA A 114 ? 0.7018 0.6027 0.6590 0.0645 0.0735 0.0967 418 ALA A O 864 C CB . ALA A 114 ? 0.6162 0.4779 0.5543 0.0536 0.0682 0.1038 418 ALA A CB 865 N N . LEU A 115 ? 0.6714 0.5682 0.6220 0.0462 0.0696 0.0948 419 LEU A N 866 C CA . LEU A 115 ? 0.6688 0.5734 0.6209 0.0445 0.0719 0.0872 419 LEU A CA 867 C C . LEU A 115 ? 0.6631 0.5540 0.6052 0.0440 0.0760 0.0775 419 LEU A C 868 O O . LEU A 115 ? 0.6461 0.5195 0.5788 0.0410 0.0769 0.0751 419 LEU A O 869 C CB . LEU A 115 ? 0.6583 0.5703 0.6139 0.0338 0.0694 0.0852 419 LEU A CB 870 C CG . LEU A 115 ? 0.6857 0.6121 0.6517 0.0317 0.0669 0.0934 419 LEU A CG 871 C CD1 . LEU A 115 ? 0.7118 0.6446 0.6831 0.0201 0.0658 0.0893 419 LEU A CD1 872 C CD2 . LEU A 115 ? 0.6809 0.6220 0.6549 0.0412 0.0681 0.0983 419 LEU A CD2 873 N N . CYS A 116 ? 0.7105 0.6100 0.6543 0.0464 0.0789 0.0717 420 CYS A N 874 C CA . CYS A 116 ? 0.7634 0.6545 0.6981 0.0438 0.0834 0.0608 420 CYS A CA 875 C C . CYS A 116 ? 0.7851 0.6685 0.7130 0.0327 0.0817 0.0545 420 CYS A C 876 O O . CYS A 116 ? 0.8029 0.6958 0.7370 0.0272 0.0777 0.0556 420 CYS A O 877 C CB . CYS A 116 ? 0.7533 0.6598 0.6919 0.0463 0.0856 0.0566 420 CYS A CB 878 S SG . CYS A 116 ? 0.8985 0.8127 0.8425 0.0567 0.0898 0.0589 420 CYS A SG 879 N N . HIS A 117 ? 0.7832 0.6493 0.6989 0.0287 0.0852 0.0470 421 HIS A N 880 C CA . HIS A 117 ? 0.7774 0.6367 0.6851 0.0170 0.0843 0.0377 421 HIS A CA 881 C C . HIS A 117 ? 0.7226 0.5865 0.6258 0.0152 0.0886 0.0250 421 HIS A C 882 O O . HIS A 117 ? 0.7503 0.6071 0.6455 0.0180 0.0952 0.0186 421 HIS A O 883 C CB . HIS A 117 ? 0.8073 0.6444 0.7020 0.0110 0.0853 0.0360 421 HIS A CB 884 C CG . HIS A 117 ? 0.8728 0.7039 0.7596 -0.0031 0.0837 0.0264 421 HIS A CG 885 N ND1 . HIS A 117 ? 0.9073 0.7332 0.7838 -0.0088 0.0882 0.0113 421 HIS A ND1 886 C CD2 . HIS A 117 ? 0.8388 0.6706 0.7276 -0.0135 0.0784 0.0282 421 HIS A CD2 887 C CE1 . HIS A 117 ? 0.8927 0.7151 0.7649 -0.0220 0.0854 0.0039 421 HIS A CE1 888 N NE2 . HIS A 117 ? 0.8498 0.6757 0.7296 -0.0255 0.0795 0.0139 421 HIS A NE2 889 N N . PHE A 118 ? 0.6824 0.5590 0.5916 0.0103 0.0852 0.0210 422 PHE A N 890 C CA . PHE A 118 ? 0.7659 0.6491 0.6714 0.0085 0.0883 0.0091 422 PHE A CA 891 C C . PHE A 118 ? 0.8316 0.7086 0.7305 -0.0034 0.0872 -0.0034 422 PHE A C 892 O O . PHE A 118 ? 0.9096 0.7888 0.8155 -0.0100 0.0818 -0.0019 422 PHE A O 893 C CB . PHE A 118 ? 0.7722 0.6769 0.6906 0.0139 0.0852 0.0138 422 PHE A CB 894 C CG . PHE A 118 ? 0.8084 0.7209 0.7319 0.0240 0.0868 0.0235 422 PHE A CG 895 C CD1 . PHE A 118 ? 0.8481 0.7580 0.7650 0.0283 0.0937 0.0194 422 PHE A CD1 896 C CD2 . PHE A 118 ? 0.8231 0.7464 0.7586 0.0283 0.0822 0.0353 422 PHE A CD2 897 C CE1 . PHE A 118 ? 0.8373 0.7556 0.7602 0.0363 0.0954 0.0265 422 PHE A CE1 898 C CE2 . PHE A 118 ? 0.8469 0.7780 0.7866 0.0365 0.0838 0.0425 422 PHE A CE2 899 C CZ . PHE A 118 ? 0.8340 0.7629 0.7679 0.0404 0.0901 0.0379 422 PHE A CZ 900 N N . PRO A 119 ? 0.7889 0.6587 0.6746 -0.0069 0.0932 -0.0170 423 PRO A N 901 C CA . PRO A 119 ? 0.8418 0.7095 0.7202 -0.0003 0.1012 -0.0197 423 PRO A CA 902 C C . PRO A 119 ? 0.9019 0.7475 0.7697 0.0000 0.1059 -0.0177 423 PRO A C 903 O O . PRO A 119 ? 0.8585 0.6881 0.7185 -0.0079 0.1040 -0.0190 423 PRO A O 904 C CB . PRO A 119 ? 0.8326 0.7038 0.7016 -0.0064 0.1059 -0.0369 423 PRO A CB 905 C CG . PRO A 119 ? 0.7744 0.6360 0.6383 -0.0180 0.1022 -0.0450 423 PRO A CG 906 C CD . PRO A 119 ? 0.7649 0.6305 0.6428 -0.0184 0.0933 -0.0324 423 PRO A CD 907 N N . PHE A 120 ? 0.8938 0.7386 0.7622 0.0085 0.1119 -0.0145 424 PHE A N 908 C CA . PHE A 120 ? 0.8903 0.7134 0.7496 0.0097 0.1177 -0.0140 424 PHE A CA 909 C C . PHE A 120 ? 0.9382 0.7566 0.7868 0.0081 0.1293 -0.0283 424 PHE A C 910 O O . PHE A 120 ? 0.9506 0.7871 0.8024 0.0095 0.1331 -0.0349 424 PHE A O 911 C CB . PHE A 120 ? 0.8612 0.6845 0.7316 0.0204 0.1160 0.0005 424 PHE A CB 912 C CG . PHE A 120 ? 0.9012 0.7440 0.7828 0.0287 0.1189 0.0021 424 PHE A CG 913 C CD1 . PHE A 120 ? 0.8926 0.7322 0.7742 0.0334 0.1283 -0.0022 424 PHE A CD1 914 C CD2 . PHE A 120 ? 0.9248 0.7892 0.8176 0.0309 0.1126 0.0077 424 PHE A CD2 915 C CE1 . PHE A 120 ? 0.8813 0.7405 0.7734 0.0391 0.1311 -0.0017 424 PHE A CE1 916 C CE2 . PHE A 120 ? 0.9050 0.7874 0.8066 0.0370 0.1150 0.0093 424 PHE A CE2 917 C CZ . PHE A 120 ? 0.8833 0.7639 0.7845 0.0406 0.1241 0.0043 424 PHE A CZ 918 N N . LEU A 121 ? 0.9560 0.7505 0.7914 0.0045 0.1353 -0.0330 425 LEU A N 919 C CA . LEU A 121 ? 0.9827 0.7707 0.8061 0.0011 0.1479 -0.0484 425 LEU A CA 920 C C . LEU A 121 ? 1.0239 0.8037 0.8512 0.0091 0.1570 -0.0458 425 LEU A C 921 O O . LEU A 121 ? 1.0367 0.7956 0.8628 0.0121 0.1565 -0.0375 425 LEU A O 922 C CB . LEU A 121 ? 1.0468 0.8127 0.8506 -0.0106 0.1504 -0.0591 425 LEU A CB 923 C CG . LEU A 121 ? 1.0535 0.8125 0.8424 -0.0160 0.1646 -0.0776 425 LEU A CG 924 C CD1 . LEU A 121 ? 1.0229 0.8023 0.8086 -0.0226 0.1651 -0.0924 425 LEU A CD1 925 C CD2 . LEU A 121 ? 1.0594 0.7868 0.8291 -0.0243 0.1688 -0.0826 425 LEU A CD2 926 N N . TYR A 122 ? 1.0424 0.8395 0.8754 0.0120 0.1654 -0.0531 426 TYR A N 927 C CA . TYR A 122 ? 1.0430 0.8355 0.8820 0.0181 0.1759 -0.0537 426 TYR A CA 928 C C . TYR A 122 ? 1.0511 0.8490 0.8818 0.0123 0.1908 -0.0722 426 TYR A C 929 O O . TYR A 122 ? 1.0123 0.8313 0.8406 0.0076 0.1915 -0.0811 426 TYR A O 930 C CB . TYR A 122 ? 1.0149 0.8281 0.8738 0.0275 0.1716 -0.0430 426 TYR A CB 931 C CG . TYR A 122 ? 1.0468 0.8603 0.9154 0.0328 0.1829 -0.0460 426 TYR A CG 932 C CD1 . TYR A 122 ? 1.0648 0.8538 0.9350 0.0375 0.1866 -0.0417 426 TYR A CD1 933 C CD2 . TYR A 122 ? 1.0727 0.9119 0.9501 0.0326 0.1898 -0.0531 426 TYR A CD2 934 C CE1 . TYR A 122 ? 1.1083 0.8978 0.9904 0.0423 0.1973 -0.0454 426 TYR A CE1 935 C CE2 . TYR A 122 ? 1.1035 0.9448 0.9919 0.0359 0.2009 -0.0574 426 TYR A CE2 936 C CZ . TYR A 122 ? 1.1367 0.9528 1.0283 0.0410 0.2048 -0.0540 426 TYR A CZ 937 O OH . TYR A 122 ? 1.1663 0.9846 1.0717 0.0443 0.2164 -0.0593 426 TYR A OH 938 N N . ASN A 123 ? 1.1279 0.9071 0.9548 0.0126 0.2031 -0.0779 427 ASN A N 939 C CA . ASN A 123 ? 1.1998 0.9819 1.0177 0.0059 0.2197 -0.0968 427 ASN A CA 940 C C . ASN A 123 ? 1.2370 1.0253 1.0381 -0.0044 0.2194 -0.1099 427 ASN A C 941 O O . ASN A 123 ? 1.2614 1.0708 1.0602 -0.0090 0.2278 -0.1236 427 ASN A O 942 C CB . ASN A 123 ? 1.1823 0.9923 1.0156 0.0090 0.2278 -0.1009 427 ASN A CB 943 C CG . ASN A 123 ? 1.2092 1.0099 1.0573 0.0164 0.2346 -0.0959 427 ASN A CG 944 O OD1 . ASN A 123 ? 1.2154 0.9865 1.0601 0.0191 0.2363 -0.0917 427 ASN A OD1 945 N ND2 . ASN A 123 ? 1.2322 1.0582 1.0972 0.0194 0.2384 -0.0965 427 ASN A ND2 946 N N . ASN A 124 ? 1.1878 0.9593 0.9781 -0.0085 0.2094 -0.1060 428 ASN A N 947 C CA . ASN A 124 ? 1.1602 0.9343 0.9348 -0.0190 0.2085 -0.1195 428 ASN A CA 948 C C . ASN A 124 ? 1.1629 0.9702 0.9463 -0.0187 0.2011 -0.1208 428 ASN A C 949 O O . ASN A 124 ? 1.1648 0.9844 0.9389 -0.0259 0.2054 -0.1364 428 ASN A O 950 C CB . ASN A 124 ? 1.1597 0.9246 0.9173 -0.0272 0.2260 -0.1399 428 ASN A CB 951 C CG . ASN A 124 ? 1.2215 0.9765 0.9585 -0.0393 0.2253 -0.1539 428 ASN A CG 952 O OD1 . ASN A 124 ? 1.2118 0.9459 0.9408 -0.0432 0.2165 -0.1482 428 ASN A OD1 953 N ND2 . ASN A 124 ? 1.2676 1.0390 0.9956 -0.0461 0.2348 -0.1733 428 ASN A ND2 954 N N . HIS A 125 ? 1.1563 0.9779 0.9573 -0.0104 0.1902 -0.1046 429 HIS A N 955 C CA . HIS A 125 ? 1.1446 0.9949 0.9546 -0.0095 0.1816 -0.1029 429 HIS A CA 956 C C . HIS A 125 ? 1.0771 0.9277 0.8988 -0.0046 0.1660 -0.0853 429 HIS A C 957 O O . HIS A 125 ? 1.0438 0.8835 0.8729 0.0017 0.1629 -0.0720 429 HIS A O 958 C CB . HIS A 125 ? 1.2333 1.1102 1.0540 -0.0051 0.1880 -0.1039 429 HIS A CB 959 C CG . HIS A 125 ? 1.3376 1.2439 1.1657 -0.0047 0.1799 -0.1024 429 HIS A CG 960 N ND1 . HIS A 125 ? 1.3501 1.2712 1.1938 0.0023 0.1695 -0.0867 429 HIS A ND1 961 C CD2 . HIS A 125 ? 1.3889 1.3123 1.2110 -0.0103 0.1805 -0.1146 429 HIS A CD2 962 C CE1 . HIS A 125 ? 1.3474 1.2921 1.1944 0.0011 0.1639 -0.0881 429 HIS A CE1 963 N NE2 . HIS A 125 ? 1.3789 1.3262 1.2137 -0.0061 0.1700 -0.1047 429 HIS A NE2 964 N N . ASN A 126 ? 1.0792 0.9430 0.9035 -0.0077 0.1566 -0.0860 430 ASN A N 965 C CA . ASN A 126 ? 1.1011 0.9665 0.9368 -0.0048 0.1429 -0.0712 430 ASN A CA 966 C C . ASN A 126 ? 1.0278 0.9176 0.8801 0.0031 0.1371 -0.0599 430 ASN A C 967 O O . ASN A 126 ? 1.0163 0.9274 0.8716 0.0025 0.1363 -0.0648 430 ASN A O 968 C CB . ASN A 126 ? 1.1604 1.0242 0.9917 -0.0135 0.1360 -0.0785 430 ASN A CB 969 C CG . ASN A 126 ? 1.2418 1.0785 1.0585 -0.0221 0.1377 -0.0842 430 ASN A CG 970 O OD1 . ASN A 126 ? 1.2026 1.0210 1.0174 -0.0197 0.1381 -0.0748 430 ASN A OD1 971 N ND2 . ASN A 126 ? 1.3687 1.2031 1.1748 -0.0325 0.1382 -0.0999 430 ASN A ND2 972 N N . TYR A 127 ? 0.9972 0.8842 0.8598 0.0102 0.1329 -0.0447 431 TYR A N 973 C CA . TYR A 127 ? 0.9898 0.8979 0.8667 0.0171 0.1279 -0.0338 431 TYR A CA 974 C C . TYR A 127 ? 1.0059 0.9178 0.8923 0.0179 0.1158 -0.0228 431 TYR A C 975 O O . TYR A 127 ? 1.0381 0.9351 0.9250 0.0172 0.1116 -0.0163 431 TYR A O 976 C CB . TYR A 127 ? 0.9920 0.8975 0.8752 0.0244 0.1320 -0.0259 431 TYR A CB 977 C CG . TYR A 127 ? 1.0367 0.9395 0.9140 0.0235 0.1451 -0.0369 431 TYR A CG 978 C CD1 . TYR A 127 ? 1.0866 1.0118 0.9668 0.0230 0.1512 -0.0430 431 TYR A CD1 979 C CD2 . TYR A 127 ? 1.0680 0.9464 0.9372 0.0226 0.1519 -0.0410 431 TYR A CD2 980 C CE1 . TYR A 127 ? 1.1425 1.0673 1.0189 0.0211 0.1648 -0.0542 431 TYR A CE1 981 C CE2 . TYR A 127 ? 1.1456 1.0209 1.0108 0.0215 0.1653 -0.0516 431 TYR A CE2 982 C CZ . TYR A 127 ? 1.1952 1.0945 1.0646 0.0205 0.1723 -0.0588 431 TYR A CZ 983 O OH . TYR A 127 ? 1.2527 1.1511 1.1197 0.0183 0.1871 -0.0706 431 TYR A OH 984 N N . THR A 128 ? 0.9692 0.9015 0.8635 0.0189 0.1108 -0.0204 432 THR A N 985 C CA . THR A 128 ? 0.9265 0.8641 0.8317 0.0194 0.1005 -0.0108 432 THR A CA 986 C C . THR A 128 ? 0.8736 0.8228 0.7902 0.0269 0.0973 0.0034 432 THR A C 987 O O . THR A 128 ? 0.8902 0.8469 0.8167 0.0282 0.0900 0.0121 432 THR A O 988 C CB . THR A 128 ? 0.9389 0.8904 0.8470 0.0158 0.0963 -0.0171 432 THR A CB 989 O OG1 . THR A 128 ? 0.9152 0.8865 0.8246 0.0192 0.0985 -0.0176 432 THR A OG1 990 C CG2 . THR A 128 ? 0.9463 0.8877 0.8431 0.0075 0.0995 -0.0333 432 THR A CG2 991 N N . ASP A 129 ? 0.8508 0.8012 0.7659 0.0313 0.1033 0.0047 433 ASP A N 992 C CA . ASP A 129 ? 0.8799 0.8411 0.8045 0.0375 0.1012 0.0161 433 ASP A CA 993 C C . ASP A 129 ? 0.9532 0.9068 0.8767 0.0413 0.1082 0.0155 433 ASP A C 994 O O . ASP A 129 ? 1.0269 0.9715 0.9426 0.0392 0.1161 0.0057 433 ASP A O 995 C CB . ASP A 129 ? 0.8751 0.8592 0.8032 0.0378 0.1002 0.0168 433 ASP A CB 996 C CG . ASP A 129 ? 0.9038 0.8991 0.8401 0.0426 0.0978 0.0278 433 ASP A CG 997 O OD1 . ASP A 129 ? 0.9164 0.9034 0.8575 0.0460 0.0952 0.0356 433 ASP A OD1 998 O OD2 . ASP A 129 ? 0.8957 0.9093 0.8333 0.0422 0.0985 0.0284 433 ASP A OD2 999 N N . CYS A 130 ? 0.9401 0.8971 0.8718 0.0468 0.1059 0.0254 434 CYS A N 1000 C CA . CYS A 130 ? 0.9500 0.9019 0.8840 0.0512 0.1119 0.0248 434 CYS A CA 1001 C C . CYS A 130 ? 0.9765 0.9388 0.9082 0.0489 0.1209 0.0144 434 CYS A C 1002 O O . CYS A 130 ? 0.9495 0.9279 0.8792 0.0450 0.1209 0.0108 434 CYS A O 1003 C CB . CYS A 130 ? 0.9299 0.8905 0.8739 0.0567 0.1079 0.0351 434 CYS A CB 1004 S SG . CYS A 130 ? 0.7366 0.6901 0.6847 0.0587 0.0987 0.0470 434 CYS A SG 1005 N N . THR A 131 ? 1.0081 0.9624 0.9412 0.0511 0.1289 0.0096 435 THR A N 1006 C CA . THR A 131 ? 0.9943 0.9588 0.9267 0.0477 0.1395 -0.0018 435 THR A CA 1007 C C . THR A 131 ? 0.9481 0.9120 0.8903 0.0518 0.1461 -0.0032 435 THR A C 1008 O O . THR A 131 ? 0.8692 0.8223 0.8177 0.0581 0.1422 0.0044 435 THR A O 1009 C CB . THR A 131 ? 1.0107 0.9626 0.9313 0.0426 0.1471 -0.0138 435 THR A CB 1010 O OG1 . THR A 131 ? 1.0389 1.0038 0.9596 0.0385 0.1588 -0.0257 435 THR A OG1 1011 C CG2 . THR A 131 ? 1.0050 0.9289 0.9224 0.0455 0.1490 -0.0131 435 THR A CG2 1012 N N . SER A 132 ? 0.9967 0.9738 0.9412 0.0476 0.1564 -0.0138 436 SER A N 1013 C CA . SER A 132 ? 1.0483 1.0261 1.0042 0.0499 0.1646 -0.0184 436 SER A CA 1014 C C . SER A 132 ? 1.0211 0.9865 0.9734 0.0470 0.1779 -0.0312 436 SER A C 1015 O O . SER A 132 ? 1.0051 0.9661 0.9677 0.0490 0.1865 -0.0366 436 SER A O 1016 C CB . SER A 132 ? 1.1159 1.1227 1.0802 0.0458 0.1668 -0.0209 436 SER A CB 1017 O OG . SER A 132 ? 1.1839 1.2090 1.1405 0.0376 0.1700 -0.0274 436 SER A OG 1018 N N . GLU A 133 ? 1.0218 0.9815 0.9602 0.0419 0.1800 -0.0369 437 GLU A N 1019 C CA . GLU A 133 ? 1.1008 1.0481 1.0329 0.0379 0.1934 -0.0502 437 GLU A CA 1020 C C . GLU A 133 ? 1.1628 1.0864 1.1024 0.0441 0.1984 -0.0493 437 GLU A C 1021 O O . GLU A 133 ? 1.1830 1.0905 1.1248 0.0513 0.1888 -0.0375 437 GLU A O 1022 C CB . GLU A 133 ? 1.1617 1.0959 1.0764 0.0339 0.1913 -0.0534 437 GLU A CB 1023 C CG . GLU A 133 ? 1.2270 1.1841 1.1347 0.0277 0.1883 -0.0572 437 GLU A CG 1024 C CD . GLU A 133 ? 1.2757 1.2529 1.1820 0.0201 0.2021 -0.0723 437 GLU A CD 1025 O OE1 . GLU A 133 ? 1.2607 1.2391 1.1753 0.0194 0.2139 -0.0790 437 GLU A OE1 1026 O OE2 . GLU A 133 ? 1.3087 1.3016 1.2065 0.0144 0.2014 -0.0779 437 GLU A OE2 1027 N N . GLY A 134 ? 1.2378 1.1601 1.1820 0.0412 0.2136 -0.0619 438 GLY A N 1028 C CA . GLY A 134 ? 1.3142 1.2131 1.2670 0.0472 0.2196 -0.0619 438 GLY A CA 1029 C C . GLY A 134 ? 1.3565 1.2627 1.3295 0.0545 0.2158 -0.0553 438 GLY A C 1030 O O . GLY A 134 ? 1.4053 1.2951 1.3896 0.0605 0.2205 -0.0555 438 GLY A O 1031 N N . ARG A 135 ? 1.3345 1.2651 1.3124 0.0540 0.2073 -0.0498 439 ARG A N 1032 C CA . ARG A 135 ? 1.3360 1.2763 1.3319 0.0598 0.2032 -0.0448 439 ARG A CA 1033 C C . ARG A 135 ? 1.4033 1.3738 1.4111 0.0525 0.2117 -0.0556 439 ARG A C 1034 O O . ARG A 135 ? 1.4164 1.4103 1.4182 0.0454 0.2091 -0.0562 439 ARG A O 1035 C CB . ARG A 135 ? 1.2641 1.2075 1.2570 0.0648 0.1866 -0.0296 439 ARG A CB 1036 C CG . ARG A 135 ? 1.2611 1.1799 1.2552 0.0748 0.1783 -0.0180 439 ARG A CG 1037 C CD . ARG A 135 ? 1.2775 1.2027 1.2898 0.0823 0.1752 -0.0143 439 ARG A CD 1038 N NE . ARG A 135 ? 1.3259 1.2291 1.3406 0.0922 0.1679 -0.0035 439 ARG A NE 1039 C CZ . ARG A 135 ? 1.3594 1.2662 1.3875 0.1003 0.1619 0.0026 439 ARG A CZ 1040 N NH1 . ARG A 135 ? 1.3424 1.2731 1.3822 0.0989 0.1626 -0.0020 439 ARG A NH1 1041 N NH2 . ARG A 135 ? 1.3784 1.2662 1.4076 0.1090 0.1551 0.0129 439 ARG A NH2 1042 N N . ARG A 136 ? 1.4431 1.4131 1.4685 0.0536 0.2220 -0.0641 440 ARG A N 1043 C CA . ARG A 136 ? 1.4498 1.4493 1.4899 0.0460 0.2299 -0.0748 440 ARG A CA 1044 C C . ARG A 136 ? 1.4312 1.4481 1.4750 0.0477 0.2169 -0.0653 440 ARG A C 1045 O O . ARG A 136 ? 1.4286 1.4741 1.4747 0.0388 0.2180 -0.0698 440 ARG A O 1046 C CB . ARG A 136 ? 1.4876 1.4800 1.5492 0.0485 0.2421 -0.0850 440 ARG A CB 1047 C CG . ARG A 136 ? 1.5228 1.5461 1.6023 0.0387 0.2523 -0.0987 440 ARG A CG 1048 C CD . ARG A 136 ? 1.5865 1.6001 1.6903 0.0423 0.2639 -0.1088 440 ARG A CD 1049 N NE . ARG A 136 ? 1.6644 1.6473 1.7640 0.0471 0.2722 -0.1106 440 ARG A NE 1050 C CZ . ARG A 136 ? 1.7186 1.6887 1.8370 0.0495 0.2852 -0.1203 440 ARG A CZ 1051 N NH1 . ARG A 136 ? 1.7307 1.7176 1.8754 0.0475 0.2917 -0.1304 440 ARG A NH1 1052 N NH2 . ARG A 136 ? 1.7427 1.6829 1.8540 0.0535 0.2921 -0.1206 440 ARG A NH2 1053 N N . ASP A 137 ? 1.4147 1.4143 1.4578 0.0586 0.2047 -0.0522 441 ASP A N 1054 C CA . ASP A 137 ? 1.3846 1.3967 1.4313 0.0617 0.1928 -0.0432 441 ASP A CA 1055 C C . ASP A 137 ? 1.3276 1.3586 1.3603 0.0549 0.1850 -0.0373 441 ASP A C 1056 O O . ASP A 137 ? 1.3001 1.3524 1.3372 0.0510 0.1814 -0.0367 441 ASP A O 1057 C CB . ASP A 137 ? 1.4318 1.4206 1.4783 0.0743 0.1822 -0.0302 441 ASP A CB 1058 C CG . ASP A 137 ? 1.4565 1.4574 1.5097 0.0783 0.1723 -0.0231 441 ASP A CG 1059 O OD1 . ASP A 137 ? 1.4566 1.4821 1.5107 0.0709 0.1718 -0.0264 441 ASP A OD1 1060 O OD2 . ASP A 137 ? 1.4717 1.4579 1.5284 0.0885 0.1651 -0.0144 441 ASP A OD2 1061 N N . ASN A 138 ? 1.3264 1.3490 1.3427 0.0533 0.1824 -0.0332 442 ASN A N 1062 C CA . ASN A 138 ? 1.3052 1.3419 1.3089 0.0487 0.1738 -0.0261 442 ASN A CA 1063 C C . ASN A 138 ? 1.2581 1.2867 1.2577 0.0558 0.1597 -0.0111 442 ASN A C 1064 O O . ASN A 138 ? 1.2417 1.2835 1.2352 0.0528 0.1522 -0.0044 442 ASN A O 1065 C CB . ASN A 138 ? 1.2987 1.3670 1.3060 0.0387 0.1770 -0.0318 442 ASN A CB 1066 C CG . ASN A 138 ? 1.3276 1.4089 1.3321 0.0289 0.1889 -0.0445 442 ASN A CG 1067 O OD1 . ASN A 138 ? 1.3483 1.4145 1.3510 0.0297 0.1976 -0.0517 442 ASN A OD1 1068 N ND2 . ASN A 138 ? 1.3252 1.4353 1.3284 0.0189 0.1899 -0.0472 442 ASN A ND2 1069 N N . MET A 139 ? 1.1971 1.2045 1.2007 0.0650 0.1566 -0.0059 443 MET A N 1070 C CA . MET A 139 ? 1.0831 1.0816 1.0822 0.0710 0.1447 0.0076 443 MET A CA 1071 C C . MET A 139 ? 1.0355 1.0206 1.0205 0.0695 0.1410 0.0117 443 MET A C 1072 O O . MET A 139 ? 1.0543 1.0273 1.0340 0.0675 0.1476 0.0050 443 MET A O 1073 C CB . MET A 139 ? 1.0355 1.0184 1.0442 0.0807 0.1427 0.0116 443 MET A CB 1074 C CG . MET A 139 ? 1.0036 1.0002 1.0276 0.0831 0.1443 0.0078 443 MET A CG 1075 S SD . MET A 139 ? 1.3050 1.3245 1.3273 0.0801 0.1359 0.0140 443 MET A SD 1076 C CE . MET A 139 ? 1.5918 1.5963 1.6086 0.0883 0.1248 0.0289 443 MET A CE 1077 N N . LYS A 140 ? 0.9707 0.9585 0.9501 0.0697 0.1313 0.0216 444 LYS A N 1078 C CA . LYS A 140 ? 0.9330 0.9096 0.9011 0.0674 0.1273 0.0246 444 LYS A CA 1079 C C . LYS A 140 ? 0.9171 0.8710 0.8835 0.0725 0.1234 0.0307 444 LYS A C 1080 O O . LYS A 140 ? 0.9090 0.8613 0.8816 0.0781 0.1181 0.0388 444 LYS A O 1081 C CB . LYS A 140 ? 0.9041 0.8942 0.8686 0.0643 0.1194 0.0315 444 LYS A CB 1082 C CG . LYS A 140 ? 0.8698 0.8814 0.8330 0.0580 0.1223 0.0265 444 LYS A CG 1083 C CD . LYS A 140 ? 0.8693 0.8794 0.8259 0.0530 0.1301 0.0154 444 LYS A CD 1084 C CE . LYS A 140 ? 0.8795 0.9143 0.8352 0.0462 0.1333 0.0104 444 LYS A CE 1085 N NZ . LYS A 140 ? 0.9205 0.9567 0.8692 0.0407 0.1416 -0.0012 444 LYS A NZ 1086 N N . TRP A 141 ? 0.8955 0.8328 0.8530 0.0699 0.1263 0.0264 445 TRP A N 1087 C CA . TRP A 141 ? 0.8564 0.7719 0.8104 0.0729 0.1226 0.0321 445 TRP A CA 1088 C C . TRP A 141 ? 0.8365 0.7426 0.7779 0.0661 0.1206 0.0300 445 TRP A C 1089 O O . TRP A 141 ? 0.8051 0.7173 0.7402 0.0604 0.1247 0.0213 445 TRP A O 1090 C CB . TRP A 141 ? 0.8668 0.7655 0.8236 0.0770 0.1299 0.0279 445 TRP A CB 1091 C CG . TRP A 141 ? 0.8488 0.7413 0.7982 0.0715 0.1403 0.0152 445 TRP A CG 1092 C CD1 . TRP A 141 ? 0.8112 0.7181 0.7644 0.0684 0.1496 0.0046 445 TRP A CD1 1093 C CD2 . TRP A 141 ? 0.8481 0.7194 0.7843 0.0673 0.1433 0.0110 445 TRP A CD2 1094 N NE1 . TRP A 141 ? 0.7781 0.6750 0.7218 0.0630 0.1588 -0.0062 445 TRP A NE1 1095 C CE2 . TRP A 141 ? 0.8222 0.6962 0.7547 0.0624 0.1551 -0.0028 445 TRP A CE2 1096 C CE3 . TRP A 141 ? 0.8583 0.7098 0.7851 0.0661 0.1375 0.0168 445 TRP A CE3 1097 C CZ2 . TRP A 141 ? 0.8459 0.7022 0.7648 0.0569 0.1616 -0.0113 445 TRP A CZ2 1098 C CZ3 . TRP A 141 ? 0.8904 0.7237 0.8034 0.0600 0.1432 0.0086 445 TRP A CZ3 1099 C CH2 . TRP A 141 ? 0.8868 0.7220 0.7956 0.0558 0.1553 -0.0055 445 TRP A CH2 1100 N N . CYS A 142 ? 0.8455 0.7381 0.7836 0.0663 0.1142 0.0374 446 CYS A N 1101 C CA . CYS A 142 ? 0.7735 0.6565 0.7005 0.0587 0.1118 0.0347 446 CYS A CA 1102 C C . CYS A 142 ? 0.7790 0.6378 0.6991 0.0581 0.1117 0.0368 446 CYS A C 1103 O O . CYS A 142 ? 0.7714 0.6231 0.6973 0.0647 0.1100 0.0446 446 CYS A O 1104 C CB . CYS A 142 ? 0.7061 0.6003 0.6366 0.0562 0.1029 0.0420 446 CYS A CB 1105 S SG . CYS A 142 ? 0.8757 0.7664 0.8132 0.0607 0.0957 0.0559 446 CYS A SG 1106 N N . GLY A 143 ? 0.7837 0.6301 0.6912 0.0500 0.1133 0.0295 447 GLY A N 1107 C CA . GLY A 143 ? 0.8250 0.6483 0.7233 0.0469 0.1120 0.0320 447 GLY A CA 1108 C C . GLY A 143 ? 0.8233 0.6499 0.7241 0.0437 0.1020 0.0418 447 GLY A C 1109 O O . GLY A 143 ? 0.8507 0.6918 0.7545 0.0392 0.0980 0.0408 447 GLY A O 1110 N N . THR A 144 ? 0.7573 0.5714 0.6578 0.0458 0.0981 0.0514 448 THR A N 1111 C CA . THR A 144 ? 0.7413 0.5610 0.6450 0.0418 0.0895 0.0607 448 THR A CA 1112 C C . THR A 144 ? 0.8024 0.6068 0.6929 0.0294 0.0874 0.0577 448 THR A C 1113 O O . THR A 144 ? 0.8805 0.6888 0.7728 0.0234 0.0810 0.0642 448 THR A O 1114 C CB . THR A 144 ? 0.7969 0.6181 0.7097 0.0507 0.0854 0.0741 448 THR A CB 1115 O OG1 . THR A 144 ? 0.8755 0.6760 0.7832 0.0554 0.0885 0.0757 448 THR A OG1 1116 C CG2 . THR A 144 ? 0.7790 0.6198 0.7056 0.0604 0.0862 0.0763 448 THR A CG2 1117 N N . THR A 145 ? 0.8030 0.5908 0.6801 0.0246 0.0935 0.0469 449 THR A N 1118 C CA . THR A 145 ? 0.7680 0.5434 0.6311 0.0106 0.0924 0.0398 449 THR A CA 1119 C C . THR A 145 ? 0.8218 0.6015 0.6789 0.0051 0.0980 0.0235 449 THR A C 1120 O O . THR A 145 ? 0.8010 0.5930 0.6646 0.0122 0.1024 0.0196 449 THR A O 1121 C CB . THR A 145 ? 0.7270 0.4752 0.5758 0.0078 0.0943 0.0416 449 THR A CB 1122 O OG1 . THR A 145 ? 0.7372 0.4728 0.5793 0.0122 0.1042 0.0327 449 THR A OG1 1123 C CG2 . THR A 145 ? 0.6835 0.4285 0.5395 0.0157 0.0888 0.0587 449 THR A CG2 1124 N N . GLN A 146 ? 0.8943 0.6654 0.7392 -0.0081 0.0978 0.0134 450 GLN A N 1125 C CA . GLN A 146 ? 0.8988 0.6760 0.7385 -0.0135 0.1026 -0.0029 450 GLN A CA 1126 C C . GLN A 146 ? 0.8988 0.6623 0.7264 -0.0111 0.1132 -0.0128 450 GLN A C 1127 O O . GLN A 146 ? 0.9249 0.6968 0.7496 -0.0126 0.1190 -0.0258 450 GLN A O 1128 C CB . GLN A 146 ? 0.8700 0.6441 0.7017 -0.0292 0.0991 -0.0127 450 GLN A CB 1129 C CG . GLN A 146 ? 0.8645 0.6128 0.6767 -0.0395 0.1016 -0.0176 450 GLN A CG 1130 C CD . GLN A 146 ? 0.9044 0.6516 0.7076 -0.0561 0.1002 -0.0327 450 GLN A CD 1131 O OE1 . GLN A 146 ? 0.9633 0.7244 0.7771 -0.0627 0.0933 -0.0319 450 GLN A OE1 1132 N NE2 . GLN A 146 ? 0.9096 0.6410 0.6939 -0.0636 0.1075 -0.0479 450 GLN A NE2 1133 N N . ASN A 147 ? 0.8531 0.5963 0.6746 -0.0075 0.1162 -0.0065 451 ASN A N 1134 C CA . ASN A 147 ? 0.9254 0.6540 0.7370 -0.0053 0.1277 -0.0154 451 ASN A CA 1135 C C . ASN A 147 ? 0.9498 0.6715 0.7704 0.0077 0.1302 -0.0039 451 ASN A C 1136 O O . ASN A 147 ? 0.9929 0.6980 0.8118 0.0094 0.1262 0.0074 451 ASN A O 1137 C CB . ASN A 147 ? 1.0147 0.7180 0.8044 -0.0177 0.1315 -0.0251 451 ASN A CB 1138 C CG . ASN A 147 ? 1.1355 0.8214 0.9144 -0.0160 0.1449 -0.0346 451 ASN A CG 1139 O OD1 . ASN A 147 ? 1.1743 0.8631 0.9637 -0.0046 0.1505 -0.0306 451 ASN A OD1 1140 N ND2 . ASN A 147 ? 1.1969 0.8650 0.9551 -0.0280 0.1507 -0.0482 451 ASN A ND2 1141 N N . TYR A 148 ? 0.8825 0.6181 0.7137 0.0162 0.1366 -0.0071 452 TYR A N 1142 C CA . TYR A 148 ? 0.9009 0.6323 0.7434 0.0281 0.1399 0.0012 452 TYR A CA 1143 C C . TYR A 148 ? 0.9719 0.6775 0.8039 0.0275 0.1510 -0.0054 452 TYR A C 1144 O O . TYR A 148 ? 1.0087 0.6972 0.8440 0.0340 0.1505 0.0044 452 TYR A O 1145 C CB . TYR A 148 ? 0.9275 0.6842 0.7854 0.0355 0.1433 -0.0011 452 TYR A CB 1146 C CG . TYR A 148 ? 0.9610 0.7143 0.8317 0.0465 0.1484 0.0038 452 TYR A CG 1147 C CD1 . TYR A 148 ? 0.9672 0.7227 0.8510 0.0555 0.1402 0.0187 452 TYR A CD1 1148 C CD2 . TYR A 148 ? 0.9783 0.7271 0.8491 0.0473 0.1619 -0.0076 452 TYR A CD2 1149 C CE1 . TYR A 148 ? 1.0348 0.7876 0.9320 0.0656 0.1444 0.0219 452 TYR A CE1 1150 C CE2 . TYR A 148 ? 1.0164 0.7624 0.9016 0.0567 0.1670 -0.0044 452 TYR A CE2 1151 C CZ . TYR A 148 ? 1.0648 0.8126 0.9635 0.0661 0.1578 0.0103 452 TYR A CZ 1152 O OH . TYR A 148 ? 1.1048 0.8505 1.0196 0.0758 0.1623 0.0124 452 TYR A OH 1153 N N . ASP A 149 ? 0.9744 0.6778 0.7941 0.0197 0.1613 -0.0223 453 ASP A N 1154 C CA . ASP A 149 ? 1.0076 0.6865 0.8158 0.0174 0.1739 -0.0310 453 ASP A CA 1155 C C . ASP A 149 ? 0.9785 0.6269 0.7764 0.0159 0.1691 -0.0207 453 ASP A C 1156 O O . ASP A 149 ? 1.0148 0.6431 0.8144 0.0218 0.1750 -0.0167 453 ASP A O 1157 C CB . ASP A 149 ? 1.0772 0.7570 0.8684 0.0058 0.1835 -0.0512 453 ASP A CB 1158 C CG . ASP A 149 ? 1.1500 0.8569 0.9505 0.0078 0.1920 -0.0623 453 ASP A CG 1159 O OD1 . ASP A 149 ? 1.1812 0.9031 1.0005 0.0176 0.1919 -0.0553 453 ASP A OD1 1160 O OD2 . ASP A 149 ? 1.1702 0.8844 0.9590 -0.0010 0.1989 -0.0786 453 ASP A OD2 1161 N N . ALA A 150 ? 0.9223 0.5682 0.7107 0.0075 0.1583 -0.0161 454 ALA A N 1162 C CA . ALA A 150 ? 0.9214 0.5408 0.6982 0.0033 0.1526 -0.0060 454 ALA A CA 1163 C C . ALA A 150 ? 0.9370 0.5592 0.7296 0.0142 0.1416 0.0150 454 ALA A C 1164 O O . ALA A 150 ? 0.9185 0.5200 0.7117 0.0205 0.1420 0.0250 454 ALA A O 1165 C CB . ALA A 150 ? 0.8816 0.4992 0.6419 -0.0125 0.1463 -0.0117 454 ALA A CB 1166 N N . ASP A 151 ? 0.9143 0.5625 0.7200 0.0166 0.1321 0.0214 455 ASP A N 1167 C CA . ASP A 151 ? 0.9171 0.5718 0.7367 0.0252 0.1214 0.0401 455 ASP A CA 1168 C C . ASP A 151 ? 0.8501 0.5117 0.6893 0.0415 0.1242 0.0463 455 ASP A C 1169 O O . ASP A 151 ? 0.8052 0.4570 0.6511 0.0499 0.1198 0.0598 455 ASP A O 1170 C CB . ASP A 151 ? 1.0148 0.6947 0.8413 0.0207 0.1115 0.0436 455 ASP A CB 1171 C CG . ASP A 151 ? 1.1254 0.7977 0.9364 0.0048 0.1060 0.0417 455 ASP A CG 1172 O OD1 . ASP A 151 ? 1.1524 0.8032 0.9523 0.0005 0.1033 0.0490 455 ASP A OD1 1173 O OD2 . ASP A 151 ? 1.1761 0.8642 0.9868 -0.0039 0.1043 0.0329 455 ASP A OD2 1174 N N . GLN A 152 ? 0.8827 0.5625 0.7313 0.0453 0.1313 0.0362 456 GLN A N 1175 C CA . GLN A 152 ? 0.9411 0.6299 0.8089 0.0587 0.1353 0.0388 456 GLN A CA 1176 C C . GLN A 152 ? 0.9631 0.6711 0.8474 0.0672 0.1244 0.0526 456 GLN A C 1177 O O . GLN A 152 ? 0.9698 0.6798 0.8695 0.0787 0.1246 0.0587 456 GLN A O 1178 C CB . GLN A 152 ? 0.9890 0.6513 0.8571 0.0648 0.1422 0.0406 456 GLN A CB 1179 C CG . GLN A 152 ? 1.0968 0.7417 0.9507 0.0574 0.1561 0.0250 456 GLN A CG 1180 C CD . GLN A 152 ? 1.2280 0.8839 1.0951 0.0626 0.1692 0.0133 456 GLN A CD 1181 O OE1 . GLN A 152 ? 1.2898 0.9471 1.1754 0.0737 0.1709 0.0183 456 GLN A OE1 1182 N NE2 . GLN A 152 ? 1.2537 0.9191 1.1122 0.0540 0.1787 -0.0032 456 GLN A NE2 1183 N N . LYS A 153 ? 0.9415 0.6642 0.8234 0.0610 0.1157 0.0564 457 LYS A N 1184 C CA . LYS A 153 ? 0.9252 0.6678 0.8213 0.0675 0.1066 0.0680 457 LYS A CA 1185 C C . LYS A 153 ? 0.9360 0.7052 0.8409 0.0679 0.1080 0.0614 457 LYS A C 1186 O O . LYS A 153 ? 0.9654 0.7419 0.8629 0.0589 0.1087 0.0534 457 LYS A O 1187 C CB . LYS A 153 ? 0.9101 0.6525 0.7996 0.0598 0.0964 0.0773 457 LYS A CB 1188 C CG . LYS A 153 ? 0.9251 0.6401 0.7995 0.0538 0.0951 0.0813 457 LYS A CG 1189 C CD . LYS A 153 ? 0.9494 0.6489 0.8300 0.0655 0.0948 0.0917 457 LYS A CD 1190 C CE . LYS A 153 ? 0.9595 0.6721 0.8519 0.0723 0.0844 0.1075 457 LYS A CE 1191 N NZ . LYS A 153 ? 1.0121 0.7081 0.9098 0.0832 0.0826 0.1186 457 LYS A NZ 1192 N N . PHE A 154 ? 0.9352 0.7191 0.8560 0.0780 0.1083 0.0646 458 PHE A N 1193 C CA . PHE A 154 ? 0.8908 0.6991 0.8195 0.0784 0.1102 0.0587 458 PHE A CA 1194 C C . PHE A 154 ? 0.8883 0.7156 0.8307 0.0852 0.1034 0.0682 458 PHE A C 1195 O O . PHE A 154 ? 0.8436 0.6664 0.7913 0.0913 0.0982 0.0783 458 PHE A O 1196 C CB . PHE A 154 ? 0.8316 0.6409 0.7652 0.0815 0.1211 0.0477 458 PHE A CB 1197 C CG . PHE A 154 ? 0.8163 0.6245 0.7650 0.0925 0.1231 0.0513 458 PHE A CG 1198 C CD1 . PHE A 154 ? 0.7948 0.6247 0.7578 0.0973 0.1243 0.0491 458 PHE A CD1 1199 C CD2 . PHE A 154 ? 0.8707 0.6562 0.8197 0.0978 0.1233 0.0567 458 PHE A CD2 1200 C CE1 . PHE A 154 ? 0.7904 0.6204 0.7689 0.1069 0.1261 0.0506 458 PHE A CE1 1201 C CE2 . PHE A 154 ? 0.8925 0.6774 0.8578 0.1086 0.1247 0.0595 458 PHE A CE2 1202 C CZ . PHE A 154 ? 0.8525 0.6602 0.8332 0.1131 0.1262 0.0557 458 PHE A CZ 1203 N N . GLY A 155 ? 0.8854 0.7344 0.8327 0.0839 0.1035 0.0647 459 GLY A N 1204 C CA . GLY A 155 ? 0.8112 0.6795 0.7706 0.0897 0.0991 0.0710 459 GLY A CA 1205 C C . GLY A 155 ? 0.7725 0.6593 0.7373 0.0894 0.1037 0.0633 459 GLY A C 1206 O O . GLY A 155 ? 0.7466 0.6336 0.7054 0.0841 0.1093 0.0542 459 GLY A O 1207 N N . PHE A 156 ? 0.7619 0.6654 0.7372 0.0945 0.1016 0.0667 460 PHE A N 1208 C CA . PHE A 156 ? 0.7348 0.6572 0.7144 0.0928 0.1052 0.0603 460 PHE A CA 1209 C C . PHE A 156 ? 0.7412 0.6788 0.7184 0.0882 0.0999 0.0645 460 PHE A C 1210 O O . PHE A 156 ? 0.7621 0.7048 0.7424 0.0901 0.0943 0.0727 460 PHE A O 1211 C CB . PHE A 156 ? 0.6839 0.6157 0.6765 0.0998 0.1074 0.0586 460 PHE A CB 1212 C CG . PHE A 156 ? 0.6777 0.5982 0.6759 0.1034 0.1149 0.0513 460 PHE A CG 1213 C CD1 . PHE A 156 ? 0.7074 0.6170 0.7144 0.1120 0.1138 0.0551 460 PHE A CD1 1214 C CD2 . PHE A 156 ? 0.6729 0.5941 0.6684 0.0979 0.1235 0.0404 460 PHE A CD2 1215 C CE1 . PHE A 156 ? 0.7341 0.6320 0.7481 0.1156 0.1213 0.0483 460 PHE A CE1 1216 C CE2 . PHE A 156 ? 0.6986 0.6094 0.7004 0.1005 0.1321 0.0327 460 PHE A CE2 1217 C CZ . PHE A 156 ? 0.7211 0.6193 0.7328 0.1095 0.1310 0.0367 460 PHE A CZ 1218 N N . CYS A 157 ? 0.7553 0.7006 0.7274 0.0820 0.1022 0.0590 461 CYS A N 1219 C CA . CYS A 157 ? 0.7732 0.7317 0.7438 0.0778 0.0974 0.0630 461 CYS A CA 1220 C C . CYS A 157 ? 0.8044 0.7802 0.7825 0.0806 0.0958 0.0667 461 CYS A C 1221 O O . CYS A 157 ? 0.8326 0.8149 0.8161 0.0834 0.0998 0.0622 461 CYS A O 1222 C CB . CYS A 157 ? 0.7550 0.7192 0.7196 0.0715 0.1001 0.0562 461 CYS A CB 1223 S SG . CYS A 157 ? 0.9742 0.9197 0.9283 0.0669 0.1033 0.0487 461 CYS A SG 1224 N N . PRO A 158 ? 0.7325 0.7157 0.7112 0.0790 0.0906 0.0739 462 PRO A N 1225 C CA . PRO A 158 ? 0.7037 0.7027 0.6873 0.0803 0.0892 0.0775 462 PRO A CA 1226 C C . PRO A 158 ? 0.7543 0.7672 0.7370 0.0771 0.0920 0.0726 462 PRO A C 1227 O O . PRO A 158 ? 0.7657 0.7782 0.7444 0.0735 0.0948 0.0669 462 PRO A O 1228 C CB . PRO A 158 ? 0.6141 0.6155 0.5969 0.0770 0.0845 0.0848 462 PRO A CB 1229 C CG . PRO A 158 ? 0.6713 0.6580 0.6517 0.0756 0.0828 0.0859 462 PRO A CG 1230 C CD . PRO A 158 ? 0.7099 0.6864 0.6852 0.0750 0.0864 0.0782 462 PRO A CD 1231 N N . MET A 159 ? 0.7303 0.7567 0.7161 0.0774 0.0914 0.0744 463 MET A N 1232 C CA . MET A 159 ? 0.7236 0.7653 0.7080 0.0728 0.0932 0.0709 463 MET A CA 1233 C C . MET A 159 ? 0.7367 0.7883 0.7197 0.0706 0.0894 0.0781 463 MET A C 1234 O O . MET A 159 ? 0.6797 0.7299 0.6654 0.0738 0.0877 0.0826 463 MET A O 1235 C CB . MET A 159 ? 0.7185 0.7667 0.7088 0.0744 0.0981 0.0628 463 MET A CB 1236 C CG . MET A 159 ? 0.6883 0.7227 0.6838 0.0801 0.1013 0.0582 463 MET A CG 1237 S SD . MET A 159 ? 1.5420 1.5855 1.5482 0.0815 0.1077 0.0472 463 MET A SD 1238 C CE . MET A 159 ? 1.5245 1.5825 1.5268 0.0712 0.1130 0.0392 463 MET A CE 1239 N N . ALA A 160 ? 0.7763 0.8382 0.7548 0.0649 0.0884 0.0795 464 ALA A N 1240 C CA . ALA A 160 ? 0.7721 0.8421 0.7487 0.0624 0.0852 0.0867 464 ALA A CA 1241 C C . ALA A 160 ? 0.8001 0.8770 0.7790 0.0639 0.0870 0.0848 464 ALA A C 1242 O O . ALA A 160 ? 0.7530 0.8349 0.7346 0.0643 0.0905 0.0768 464 ALA A O 1243 C CB . ALA A 160 ? 0.7506 0.8320 0.7219 0.0559 0.0839 0.0881 464 ALA A CB 1244 N N . ALA A 161 ? 0.8075 0.8853 0.7863 0.0645 0.0853 0.0911 465 ALA A N 1245 C CA . ALA A 161 ? 0.7889 0.8741 0.7692 0.0659 0.0873 0.0886 465 ALA A CA 1246 C C . ALA A 161 ? 0.8872 0.9849 0.8658 0.0616 0.0898 0.0806 465 ALA A C 1247 O O . ALA A 161 ? 0.9321 1.0328 0.9161 0.0645 0.0925 0.0725 465 ALA A O 1248 C CB . ALA A 161 ? 0.7139 0.8020 0.6916 0.0639 0.0863 0.0958 465 ALA A CB 1249 N N . HIS A 162 ? 0.9045 1.0101 0.8765 0.0543 0.0887 0.0827 466 HIS A N 1250 C CA . HIS A 162 ? 0.9398 1.0597 0.9094 0.0476 0.0911 0.0751 466 HIS A CA 1251 C C . HIS A 162 ? 0.9477 1.0696 0.9237 0.0479 0.0949 0.0647 466 HIS A C 1252 O O . HIS A 162 ? 0.9582 1.0920 0.9366 0.0432 0.0983 0.0553 466 HIS A O 1253 C CB . HIS A 162 ? 0.9659 1.0941 0.9263 0.0389 0.0885 0.0811 466 HIS A CB 1254 C CG . HIS A 162 ? 0.9657 1.0935 0.9252 0.0370 0.0871 0.0828 466 HIS A CG 1255 N ND1 . HIS A 162 ? 0.9340 1.0513 0.8935 0.0406 0.0835 0.0909 466 HIS A ND1 1256 C CD2 . HIS A 162 ? 0.9460 1.0843 0.9049 0.0313 0.0894 0.0762 466 HIS A CD2 1257 C CE1 . HIS A 162 ? 0.9277 1.0487 0.8858 0.0378 0.0833 0.0891 466 HIS A CE1 1258 N NE2 . HIS A 162 ? 0.9115 1.0456 0.8690 0.0320 0.0872 0.0805 466 HIS A NE2 1259 N N . GLU A 163 ? 0.9158 1.0259 0.8950 0.0527 0.0950 0.0654 467 GLU A N 1260 C CA . GLU A 163 ? 0.9060 1.0157 0.8912 0.0531 0.0999 0.0556 467 GLU A CA 1261 C C . GLU A 163 ? 0.9084 1.0057 0.9026 0.0623 0.1017 0.0520 467 GLU A C 1262 O O . GLU A 163 ? 0.8676 0.9604 0.8676 0.0639 0.1060 0.0447 467 GLU A O 1263 C CB . GLU A 163 ? 0.8954 1.0013 0.8766 0.0508 0.0999 0.0570 467 GLU A CB 1264 C CG . GLU A 163 ? 0.9162 1.0394 0.8932 0.0407 0.1019 0.0533 467 GLU A CG 1265 C CD . GLU A 163 ? 0.9761 1.0973 0.9513 0.0391 0.1041 0.0507 467 GLU A CD 1266 O OE1 . GLU A 163 ? 1.0037 1.1084 0.9803 0.0455 0.1044 0.0510 467 GLU A OE1 1267 O OE2 . GLU A 163 ? 0.9841 1.1210 0.9557 0.0307 0.1059 0.0479 467 GLU A OE2 1268 N N . GLU A 164 ? 0.9006 0.9925 0.8960 0.0681 0.0987 0.0574 468 GLU A N 1269 C CA . GLU A 164 ? 0.8905 0.9718 0.8941 0.0771 0.0992 0.0558 468 GLU A CA 1270 C C . GLU A 164 ? 0.8857 0.9723 0.8996 0.0785 0.1040 0.0440 468 GLU A C 1271 O O . GLU A 164 ? 0.8688 0.9700 0.8837 0.0715 0.1071 0.0363 468 GLU A O 1272 C CB . GLU A 164 ? 0.9280 1.0095 0.9318 0.0816 0.0960 0.0618 468 GLU A CB 1273 C CG . GLU A 164 ? 1.0082 1.0802 1.0070 0.0825 0.0922 0.0725 468 GLU A CG 1274 C CD . GLU A 164 ? 1.1096 1.1817 1.1115 0.0877 0.0906 0.0767 468 GLU A CD 1275 O OE1 . GLU A 164 ? 1.1472 1.2182 1.1564 0.0942 0.0912 0.0728 468 GLU A OE1 1276 O OE2 . GLU A 164 ? 1.1354 1.2093 1.1334 0.0853 0.0890 0.0836 468 GLU A OE2 1277 N N . ILE A 165 ? 0.8851 0.9603 0.9075 0.0871 0.1046 0.0428 469 ILE A N 1278 C CA . ILE A 165 ? 0.8235 0.9012 0.8589 0.0899 0.1094 0.0316 469 ILE A CA 1279 C C . ILE A 165 ? 0.7476 0.8194 0.7927 0.1006 0.1071 0.0327 469 ILE A C 1280 O O . ILE A 165 ? 0.6819 0.7424 0.7236 0.1065 0.1027 0.0425 469 ILE A O 1281 C CB . ILE A 165 ? 0.8638 0.9312 0.9019 0.0892 0.1146 0.0270 469 ILE A CB 1282 C CG1 . ILE A 165 ? 0.8936 0.9751 0.9282 0.0778 0.1193 0.0198 469 ILE A CG1 1283 C CG2 . ILE A 165 ? 0.8907 0.9517 0.9444 0.0963 0.1186 0.0191 469 ILE A CG2 1284 C CD1 . ILE A 165 ? 0.9071 0.9823 0.9455 0.0759 0.1265 0.0126 469 ILE A CD1 1285 N N . CYS A 166 ? 0.7472 0.8285 0.8050 0.1024 0.1101 0.0220 470 CYS A N 1286 C CA . CYS A 166 ? 0.7258 0.8022 0.7961 0.1135 0.1083 0.0213 470 CYS A CA 1287 C C . CYS A 166 ? 0.8233 0.8956 0.9094 0.1161 0.1142 0.0104 470 CYS A C 1288 O O . CYS A 166 ? 0.8139 0.8989 0.9056 0.1082 0.1199 -0.0016 470 CYS A O 1289 C CB . CYS A 166 ? 0.6777 0.7711 0.7511 0.1142 0.1064 0.0170 470 CYS A CB 1290 S SG . CYS A 166 ? 0.6847 0.7845 0.7415 0.1109 0.1014 0.0280 470 CYS A SG 1291 N N . THR A 167 ? 0.9534 1.0085 1.0473 0.1263 0.1132 0.0145 471 THR A N 1292 C CA . THR A 167 ? 1.0362 1.0850 1.1471 0.1298 0.1194 0.0046 471 THR A CA 1293 C C . THR A 167 ? 1.1044 1.1565 1.2340 0.1404 0.1173 0.0001 471 THR A C 1294 O O . THR A 167 ? 1.1091 1.1569 1.2376 0.1495 0.1103 0.0098 471 THR A O 1295 C CB . THR A 167 ? 1.0370 1.0617 1.1444 0.1333 0.1211 0.0109 471 THR A CB 1296 O OG1 . THR A 167 ? 1.0662 1.0762 1.1716 0.1436 0.1139 0.0237 471 THR A OG1 1297 C CG2 . THR A 167 ? 1.0393 1.0618 1.1285 0.1233 0.1225 0.0147 471 THR A CG2 1298 N N . THR A 168 ? 1.1418 1.2033 1.2895 0.1387 0.1237 -0.0153 472 THR A N 1299 C CA . THR A 168 ? 1.1463 1.2121 1.3152 0.1487 0.1223 -0.0220 472 THR A CA 1300 C C . THR A 168 ? 1.2330 1.2752 1.4113 0.1620 0.1205 -0.0139 472 THR A C 1301 O O . THR A 168 ? 1.2224 1.2460 1.3929 0.1612 0.1230 -0.0075 472 THR A O 1302 C CB . THR A 168 ? 1.0580 1.1395 1.2464 0.1421 0.1307 -0.0423 472 THR A CB 1303 O OG1 . THR A 168 ? 1.0428 1.1101 1.2454 0.1441 0.1383 -0.0475 472 THR A OG1 1304 C CG2 . THR A 168 ? 1.0190 1.1194 1.1951 0.1253 0.1346 -0.0496 472 THR A CG2 1305 N N . ASN A 169 ? 1.3444 1.3876 1.5388 0.1742 0.1160 -0.0142 473 ASN A N 1306 C CA . ASN A 169 ? 1.4684 1.4894 1.6725 0.1876 0.1132 -0.0052 473 ASN A CA 1307 C C . ASN A 169 ? 1.5095 1.5154 1.7264 0.1864 0.1229 -0.0130 473 ASN A C 1308 O O . ASN A 169 ? 1.5191 1.5007 1.7327 0.1918 0.1228 -0.0031 473 ASN A O 1309 C CB . ASN A 169 ? 1.5124 1.5409 1.7354 0.2008 0.1071 -0.0064 473 ASN A CB 1310 C CG . ASN A 169 ? 1.5485 1.5554 1.7747 0.2151 0.1002 0.0093 473 ASN A CG 1311 O OD1 . ASN A 169 ? 1.5711 1.5561 1.7852 0.2144 0.1006 0.0204 473 ASN A OD1 1312 N ND2 . ASN A 169 ? 1.5384 1.5521 1.7805 0.2277 0.0938 0.0102 473 ASN A ND2 1313 N N . GLU A 170 ? 1.5178 1.5388 1.7487 0.1781 0.1318 -0.0313 474 GLU A N 1314 C CA . GLU A 170 ? 1.5421 1.5530 1.7867 0.1747 0.1433 -0.0416 474 GLU A CA 1315 C C . GLU A 170 ? 1.5395 1.5440 1.7631 0.1625 0.1493 -0.0391 474 GLU A C 1316 O O . GLU A 170 ? 1.5523 1.5437 1.7816 0.1602 0.1588 -0.0441 474 GLU A O 1317 C CB . GLU A 170 ? 1.5605 1.5929 1.8301 0.1687 0.1515 -0.0636 474 GLU A CB 1318 C CG . GLU A 170 ? 1.5860 1.6234 1.8813 0.1815 0.1469 -0.0690 474 GLU A CG 1319 C CD . GLU A 170 ? 1.5814 1.6382 1.9048 0.1748 0.1562 -0.0930 474 GLU A CD 1320 O OE1 . GLU A 170 ? 1.5789 1.6452 1.9020 0.1596 0.1669 -0.1050 474 GLU A OE1 1321 O OE2 . GLU A 170 ? 1.5551 1.6191 1.9017 0.1843 0.1529 -0.1004 474 GLU A OE2 1322 N N . GLY A 171 ? 1.5095 1.5234 1.7093 0.1548 0.1442 -0.0319 475 GLY A N 1323 C CA . GLY A 171 ? 1.4503 1.4575 1.6290 0.1451 0.1476 -0.0274 475 GLY A CA 1324 C C . GLY A 171 ? 1.3829 1.4127 1.5505 0.1297 0.1510 -0.0346 475 GLY A C 1325 O O . GLY A 171 ? 1.3835 1.4099 1.5319 0.1226 0.1514 -0.0289 475 GLY A O 1326 N N . VAL A 172 ? 1.3319 1.3850 1.5114 0.1241 0.1531 -0.0473 476 VAL A N 1327 C CA . VAL A 172 ? 1.2894 1.3651 1.4588 0.1085 0.1561 -0.0542 476 VAL A CA 1328 C C . VAL A 172 ? 1.2810 1.3594 1.4257 0.1061 0.1469 -0.0403 476 VAL A C 1329 O O . VAL A 172 ? 1.3201 1.3921 1.4599 0.1153 0.1382 -0.0296 476 VAL A O 1330 C CB . VAL A 172 ? 1.2595 1.3598 1.4460 0.1023 0.1592 -0.0706 476 VAL A CB 1331 C CG1 . VAL A 172 ? 1.2335 1.3568 1.4089 0.0845 0.1627 -0.0775 476 VAL A CG1 1332 C CG2 . VAL A 172 ? 1.2940 1.3922 1.5089 0.1051 0.1685 -0.0855 476 VAL A CG2 1333 N N . MET A 173 ? 1.2000 1.2888 1.3302 0.0935 0.1493 -0.0406 477 MET A N 1334 C CA . MET A 173 ? 1.1143 1.2045 1.2224 0.0907 0.1414 -0.0275 477 MET A CA 1335 C C . MET A 173 ? 1.0499 1.1636 1.1530 0.0811 0.1393 -0.0317 477 MET A C 1336 O O . MET A 173 ? 1.0692 1.2008 1.1768 0.0693 0.1454 -0.0436 477 MET A O 1337 C CB . MET A 173 ? 1.0964 1.1794 1.1897 0.0848 0.1436 -0.0222 477 MET A CB 1338 C CG . MET A 173 ? 1.1083 1.1658 1.2011 0.0935 0.1445 -0.0162 477 MET A CG 1339 S SD . MET A 173 ? 1.3505 1.4009 1.4253 0.0860 0.1474 -0.0124 477 MET A SD 1340 C CE . MET A 173 ? 0.9957 1.0141 1.0691 0.0974 0.1462 -0.0045 477 MET A CE 1341 N N . TYR A 174 ? 0.9725 1.0864 1.0658 0.0851 0.1312 -0.0221 478 TYR A N 1342 C CA . TYR A 174 ? 0.8910 1.0243 0.9768 0.0764 0.1289 -0.0245 478 TYR A CA 1343 C C . TYR A 174 ? 0.8736 1.0033 0.9387 0.0738 0.1230 -0.0099 478 TYR A C 1344 O O . TYR A 174 ? 0.8575 0.9705 0.9166 0.0815 0.1192 0.0019 478 TYR A O 1345 C CB . TYR A 174 ? 0.8603 0.9996 0.9553 0.0831 0.1259 -0.0290 478 TYR A CB 1346 C CG . TYR A 174 ? 0.8611 1.0118 0.9772 0.0816 0.1317 -0.0470 478 TYR A CG 1347 C CD1 . TYR A 174 ? 0.8663 1.0391 0.9842 0.0706 0.1337 -0.0597 478 TYR A CD1 1348 C CD2 . TYR A 174 ? 0.8414 0.9808 0.9762 0.0903 0.1355 -0.0519 478 TYR A CD2 1349 C CE1 . TYR A 174 ? 0.8421 1.0269 0.9812 0.0680 0.1393 -0.0780 478 TYR A CE1 1350 C CE2 . TYR A 174 ? 0.8374 0.9876 0.9945 0.0888 0.1413 -0.0694 478 TYR A CE2 1351 C CZ . TYR A 174 ? 0.8331 1.0068 0.9929 0.0774 0.1431 -0.0829 478 TYR A CZ 1352 O OH . TYR A 174 ? 0.8107 0.9966 0.9944 0.0747 0.1491 -0.1020 478 TYR A OH 1353 N N . ARG A 175 ? 0.8410 0.9864 0.8957 0.0625 0.1225 -0.0108 479 ARG A N 1354 C CA . ARG A 175 ? 0.8321 0.9747 0.8691 0.0600 0.1170 0.0028 479 ARG A CA 1355 C C . ARG A 175 ? 0.7224 0.8696 0.7542 0.0620 0.1129 0.0064 479 ARG A C 1356 O O . ARG A 175 ? 0.6636 0.8187 0.7043 0.0642 0.1140 -0.0028 479 ARG A O 1357 C CB . ARG A 175 ? 0.9323 1.0872 0.9593 0.0465 0.1185 0.0025 479 ARG A CB 1358 C CG . ARG A 175 ? 1.0418 1.1923 1.0702 0.0444 0.1224 0.0014 479 ARG A CG 1359 C CD . ARG A 175 ? 1.1672 1.3295 1.1831 0.0325 0.1217 0.0051 479 ARG A CD 1360 N NE . ARG A 175 ? 1.2531 1.4083 1.2553 0.0345 0.1144 0.0201 479 ARG A NE 1361 C CZ . ARG A 175 ? 1.2865 1.4489 1.2774 0.0267 0.1117 0.0269 479 ARG A CZ 1362 N NH1 . ARG A 175 ? 1.2610 1.4395 1.2511 0.0158 0.1155 0.0206 479 ARG A NH1 1363 N NH2 . ARG A 175 ? 1.3029 1.4575 1.2843 0.0295 0.1055 0.0401 479 ARG A NH2 1364 N N . ILE A 176 ? 0.7069 0.8498 0.7251 0.0611 0.1086 0.0189 480 ILE A N 1365 C CA . ILE A 176 ? 0.7188 0.8649 0.7311 0.0628 0.1058 0.0231 480 ILE A CA 1366 C C . ILE A 176 ? 0.7174 0.8815 0.7273 0.0535 0.1080 0.0126 480 ILE A C 1367 O O . ILE A 176 ? 0.7735 0.9476 0.7781 0.0421 0.1095 0.0090 480 ILE A O 1368 C CB . ILE A 176 ? 0.7507 0.8898 0.7500 0.0612 0.1021 0.0374 480 ILE A CB 1369 C CG1 . ILE A 176 ? 0.8255 0.9483 0.8265 0.0673 0.1004 0.0454 480 ILE A CG1 1370 C CG2 . ILE A 176 ? 0.7203 0.8604 0.7158 0.0645 0.1007 0.0419 480 ILE A CG2 1371 C CD1 . ILE A 176 ? 0.8880 1.0009 0.8997 0.0782 0.1003 0.0441 480 ILE A CD1 1372 N N . GLY A 177 ? 0.6556 0.8251 0.6692 0.0577 0.1081 0.0073 481 GLY A N 1373 C CA . GLY A 177 ? 0.6429 0.8293 0.6535 0.0486 0.1104 -0.0042 481 GLY A CA 1374 C C . GLY A 177 ? 0.7230 0.9200 0.7489 0.0466 0.1141 -0.0215 481 GLY A C 1375 O O . GLY A 177 ? 0.7907 1.0018 0.8184 0.0415 0.1160 -0.0341 481 GLY A O 1376 N N . ASP A 178 ? 0.7169 0.9074 0.7543 0.0499 0.1159 -0.0233 482 ASP A N 1377 C CA . ASP A 178 ? 0.7321 0.9316 0.7878 0.0486 0.1205 -0.0402 482 ASP A CA 1378 C C . ASP A 178 ? 0.7876 0.9876 0.8570 0.0600 0.1197 -0.0472 482 ASP A C 1379 O O . ASP A 178 ? 0.7926 0.9813 0.8607 0.0720 0.1157 -0.0367 482 ASP A O 1380 C CB . ASP A 178 ? 0.7213 0.9106 0.7869 0.0516 0.1234 -0.0395 482 ASP A CB 1381 C CG . ASP A 178 ? 0.7310 0.9258 0.7868 0.0388 0.1256 -0.0373 482 ASP A CG 1382 O OD1 . ASP A 178 ? 0.7712 0.9765 0.8123 0.0279 0.1239 -0.0348 482 ASP A OD1 1383 O OD2 . ASP A 178 ? 0.6994 0.8881 0.7617 0.0395 0.1291 -0.0380 482 ASP A OD2 1384 N N . GLN A 179 ? 0.8180 1.0324 0.9014 0.0557 0.1234 -0.0654 483 GLN A N 1385 C CA . GLN A 179 ? 0.8585 1.0752 0.9577 0.0671 0.1224 -0.0736 483 GLN A CA 1386 C C . GLN A 179 ? 0.9062 1.1203 1.0307 0.0729 0.1260 -0.0843 483 GLN A C 1387 O O . GLN A 179 ? 0.9523 1.1759 1.0857 0.0621 0.1317 -0.0969 483 GLN A O 1388 C CB . GLN A 179 ? 0.8571 1.0934 0.9533 0.0592 0.1232 -0.0875 483 GLN A CB 1389 C CG . GLN A 179 ? 0.8899 1.1272 0.9627 0.0558 0.1203 -0.0773 483 GLN A CG 1390 C CD . GLN A 179 ? 0.9456 1.2011 1.0152 0.0491 0.1217 -0.0924 483 GLN A CD 1391 O OE1 . GLN A 179 ? 0.9706 1.2366 1.0578 0.0521 0.1232 -0.1089 483 GLN A OE1 1392 N NE2 . GLN A 179 ? 0.9475 1.2067 0.9950 0.0398 0.1216 -0.0873 483 GLN A NE2 1393 N N . TRP A 180 ? 0.9025 1.1042 1.0388 0.0895 0.1229 -0.0789 484 TRP A N 1394 C CA . TRP A 180 ? 0.8956 1.0923 1.0576 0.0977 0.1258 -0.0878 484 TRP A CA 1395 C C . TRP A 180 ? 0.8792 1.0891 1.0581 0.1039 0.1246 -0.1019 484 TRP A C 1396 O O . TRP A 180 ? 0.8055 1.0182 0.9772 0.1109 0.1194 -0.0966 484 TRP A O 1397 C CB . TRP A 180 ? 0.9307 1.1033 1.0939 0.1122 0.1225 -0.0712 484 TRP A CB 1398 C CG . TRP A 180 ? 1.0205 1.1840 1.2094 0.1228 0.1249 -0.0774 484 TRP A CG 1399 C CD1 . TRP A 180 ? 1.0308 1.1857 1.2309 0.1203 0.1315 -0.0818 484 TRP A CD1 1400 C CD2 . TRP A 180 ? 1.0994 1.2613 1.3065 0.1378 0.1210 -0.0796 484 TRP A CD2 1401 N NE1 . TRP A 180 ? 1.0517 1.1979 1.2764 0.1328 0.1323 -0.0865 484 TRP A NE1 1402 C CE2 . TRP A 180 ? 1.1012 1.2516 1.3308 0.1441 0.1252 -0.0847 484 TRP A CE2 1403 C CE3 . TRP A 180 ? 1.1017 1.2717 1.3085 0.1464 0.1146 -0.0779 484 TRP A CE3 1404 C CZ2 . TRP A 180 ? 1.1225 1.2679 1.3749 0.1596 0.1223 -0.0870 484 TRP A CZ2 1405 C CZ3 . TRP A 180 ? 1.0871 1.2543 1.3160 0.1615 0.1115 -0.0806 484 TRP A CZ3 1406 C CH2 . TRP A 180 ? 1.0986 1.2530 1.3503 0.1684 0.1148 -0.0845 484 TRP A CH2 1407 N N . ASP A 181 ? 0.9856 1.2052 1.1879 0.1007 0.1299 -0.1208 485 ASP A N 1408 C CA . ASP A 181 ? 1.1349 1.3698 1.3551 0.1050 0.1291 -0.1373 485 ASP A CA 1409 C C . ASP A 181 ? 1.2984 1.5270 1.5510 0.1167 0.1312 -0.1459 485 ASP A C 1410 O O . ASP A 181 ? 1.3422 1.5664 1.6080 0.1117 0.1379 -0.1519 485 ASP A O 1411 C CB . ASP A 181 ? 1.1292 1.3885 1.3466 0.0857 0.1337 -0.1572 485 ASP A CB 1412 C CG . ASP A 181 ? 1.1460 1.4230 1.3793 0.0885 0.1328 -0.1761 485 ASP A CG 1413 O OD1 . ASP A 181 ? 1.1588 1.4322 1.4176 0.1030 0.1316 -0.1811 485 ASP A OD1 1414 O OD2 . ASP A 181 ? 1.1614 1.4562 1.3817 0.0759 0.1334 -0.1863 485 ASP A OD2 1415 N N . LYS A 182 ? 1.4230 1.6517 1.6889 0.1323 0.1257 -0.1464 486 LYS A N 1416 C CA . LYS A 182 ? 1.5384 1.7624 1.8376 0.1447 0.1268 -0.1552 486 LYS A CA 1417 C C . LYS A 182 ? 1.6001 1.8450 1.9177 0.1481 0.1249 -0.1743 486 LYS A C 1418 O O . LYS A 182 ? 1.5972 1.8511 1.9025 0.1526 0.1190 -0.1711 486 LYS A O 1419 C CB . LYS A 182 ? 1.5799 1.7791 1.8809 0.1641 0.1207 -0.1339 486 LYS A CB 1420 C CG . LYS A 182 ? 1.6267 1.8153 1.9612 0.1769 0.1224 -0.1397 486 LYS A CG 1421 C CD . LYS A 182 ? 1.6640 1.8244 1.9949 0.1922 0.1175 -0.1166 486 LYS A CD 1422 C CE . LYS A 182 ? 1.6886 1.8351 2.0520 0.2039 0.1204 -0.1213 486 LYS A CE 1423 N NZ . LYS A 182 ? 1.6933 1.8104 2.0507 0.2166 0.1163 -0.0987 486 LYS A NZ 1424 N N . GLN A 183 ? 1.6771 1.9307 2.0251 0.1455 0.1307 -0.1954 487 GLN A N 1425 C CA . GLN A 183 ? 1.7658 2.0410 2.1347 0.1471 0.1298 -0.2174 487 GLN A CA 1426 C C . GLN A 183 ? 1.8438 2.1110 2.2500 0.1653 0.1285 -0.2221 487 GLN A C 1427 O O . GLN A 183 ? 1.8599 2.1172 2.2875 0.1647 0.1351 -0.2268 487 GLN A O 1428 C CB . GLN A 183 ? 1.7865 2.0847 2.1605 0.1241 0.1384 -0.2430 487 GLN A CB 1429 C CG . GLN A 183 ? 1.7975 2.1036 2.1354 0.1051 0.1397 -0.2385 487 GLN A CG 1430 C CD . GLN A 183 ? 1.7943 2.1126 2.1352 0.0820 0.1493 -0.2541 487 GLN A CD 1431 O OE1 . GLN A 183 ? 1.7998 2.1177 2.1683 0.0803 0.1561 -0.2657 487 GLN A OE1 1432 N NE2 . GLN A 183 ? 1.7802 2.1099 2.0927 0.0637 0.1502 -0.2543 487 GLN A NE2 1433 N N . HIS A 184 ? 1.8861 2.1581 2.3003 0.1815 0.1202 -0.2205 488 HIS A N 1434 C CA . HIS A 184 ? 1.9338 2.1995 2.3842 0.2004 0.1174 -0.2244 488 HIS A CA 1435 C C . HIS A 184 ? 1.9844 2.2760 2.4561 0.2032 0.1150 -0.2480 488 HIS A C 1436 O O . HIS A 184 ? 1.9843 2.2799 2.4577 0.2193 0.1061 -0.2417 488 HIS A O 1437 C CB . HIS A 184 ? 1.9112 2.1542 2.3542 0.2215 0.1080 -0.1959 488 HIS A CB 1438 C CG . HIS A 184 ? 1.8831 2.0967 2.3306 0.2264 0.1110 -0.1804 488 HIS A CG 1439 N ND1 . HIS A 184 ? 1.8761 2.0733 2.3536 0.2435 0.1094 -0.1771 488 HIS A ND1 1440 C CD2 . HIS A 184 ? 1.8634 2.0611 2.2890 0.2163 0.1158 -0.1679 488 HIS A CD2 1441 C CE1 . HIS A 184 ? 1.8741 2.0459 2.3466 0.2430 0.1137 -0.1635 488 HIS A CE1 1442 N NE2 . HIS A 184 ? 1.8659 2.0382 2.3071 0.2267 0.1176 -0.1583 488 HIS A NE2 1443 N N . ASP A 185 ? 2.0484 2.3593 2.5358 0.1865 0.1233 -0.2758 489 ASP A N 1444 C CA . ASP A 185 ? 2.1220 2.4585 2.6338 0.1867 0.1226 -0.3030 489 ASP A CA 1445 C C . ASP A 185 ? 2.1591 2.5174 2.6429 0.1787 0.1189 -0.3089 489 ASP A C 1446 O O . ASP A 185 ? 2.1717 2.5526 2.6706 0.1790 0.1175 -0.3311 489 ASP A O 1447 C CB . ASP A 185 ? 2.1645 2.4941 2.7100 0.2126 0.1154 -0.3005 489 ASP A CB 1448 C CG . ASP A 185 ? 2.1831 2.5381 2.7637 0.2128 0.1163 -0.3324 489 ASP A CG 1449 O OD1 . ASP A 185 ? 2.1777 2.5556 2.7565 0.1914 0.1231 -0.3577 489 ASP A OD1 1450 O OD2 . ASP A 185 ? 2.1983 2.5506 2.8088 0.2340 0.1100 -0.3323 489 ASP A OD2 1451 N N . MET A 186 ? 2.1647 2.5160 2.6083 0.1711 0.1179 -0.2898 490 MET A N 1452 C CA . MET A 186 ? 2.1562 2.5236 2.5694 0.1648 0.1149 -0.2906 490 MET A CA 1453 C C . MET A 186 ? 2.1560 2.5246 2.5694 0.1866 0.1054 -0.2791 490 MET A C 1454 O O . MET A 186 ? 2.1538 2.5288 2.5383 0.1853 0.1025 -0.2703 490 MET A O 1455 C CB . MET A 186 ? 2.1497 2.5458 2.5666 0.1456 0.1204 -0.3230 490 MET A CB 1456 C CG . MET A 186 ? 2.1544 2.5712 2.5950 0.1563 0.1164 -0.3437 490 MET A CG 1457 S SD . MET A 186 ? 2.3083 2.7594 2.7439 0.1320 0.1222 -0.3809 490 MET A SD 1458 C CE . MET A 186 ? 1.1303 1.5868 1.5186 0.1301 0.1187 -0.3670 490 MET A CE 1459 N N . GLY A 187 ? 2.1395 2.5028 2.5863 0.2062 0.1008 -0.2792 491 GLY A N 1460 C CA . GLY A 187 ? 2.0884 2.4516 2.5373 0.2281 0.0909 -0.2650 491 GLY A CA 1461 C C . GLY A 187 ? 2.0272 2.3708 2.4441 0.2321 0.0872 -0.2325 491 GLY A C 1462 O O . GLY A 187 ? 2.0263 2.3766 2.4257 0.2396 0.0815 -0.2209 491 GLY A O 1463 N N . HIS A 188 ? 1.9770 2.2976 2.3870 0.2261 0.0911 -0.2192 492 HIS A N 1464 C CA . HIS A 188 ? 1.9273 2.2290 2.3063 0.2258 0.0890 -0.1911 492 HIS A CA 1465 C C . HIS A 188 ? 1.8116 2.1066 2.1712 0.2049 0.0972 -0.1920 492 HIS A C 1466 O O . HIS A 188 ? 1.8245 2.1114 2.2004 0.1991 0.1030 -0.1998 492 HIS A O 1467 C CB . HIS A 188 ? 1.9991 2.2749 2.3901 0.2440 0.0834 -0.1686 492 HIS A CB 1468 C CG . HIS A 188 ? 2.0407 2.3219 2.4508 0.2654 0.0742 -0.1645 492 HIS A CG 1469 N ND1 . HIS A 188 ? 2.0487 2.3338 2.4407 0.2745 0.0666 -0.1466 492 HIS A ND1 1470 C CD2 . HIS A 188 ? 2.0619 2.3464 2.5085 0.2794 0.0713 -0.1758 492 HIS A CD2 1471 C CE1 . HIS A 188 ? 2.0590 2.3504 2.4743 0.2931 0.0590 -0.1464 492 HIS A CE1 1472 N NE2 . HIS A 188 ? 2.0706 2.3610 2.5197 0.2971 0.0612 -0.1637 492 HIS A NE2 1473 N N . MET A 189 ? 1.6652 1.9646 1.9911 0.1936 0.0980 -0.1844 493 MET A N 1474 C CA . MET A 189 ? 1.5211 1.8140 1.8263 0.1748 0.1044 -0.1820 493 MET A CA 1475 C C . MET A 189 ? 1.4048 1.6844 1.6782 0.1746 0.1016 -0.1565 493 MET A C 1476 O O . MET A 189 ? 1.3964 1.6833 1.6558 0.1798 0.0974 -0.1490 493 MET A O 1477 C CB . MET A 189 ? 1.4795 1.7956 1.7770 0.1551 0.1102 -0.2051 493 MET A CB 1478 C CG . MET A 189 ? 1.4460 1.7767 1.7177 0.1510 0.1084 -0.2046 493 MET A CG 1479 S SD . MET A 189 ? 1.9990 2.3442 2.2455 0.1231 0.1158 -0.2189 493 MET A SD 1480 C CE . MET A 189 ? 1.4737 1.7957 1.7062 0.1149 0.1183 -0.1990 493 MET A CE 1481 N N . MET A 190 ? 1.2906 1.5522 1.5536 0.1678 0.1044 -0.1445 494 MET A N 1482 C CA . MET A 190 ? 1.1336 1.3812 1.3693 0.1673 0.1019 -0.1210 494 MET A CA 1483 C C . MET A 190 ? 1.0302 1.2725 1.2475 0.1499 0.1073 -0.1188 494 MET A C 1484 O O . MET A 190 ? 0.9942 1.2288 1.2221 0.1451 0.1117 -0.1232 494 MET A O 1485 C CB . MET A 190 ? 1.1253 1.3503 1.3682 0.1834 0.0968 -0.1012 494 MET A CB 1486 C CG . MET A 190 ? 1.1472 1.3548 1.3656 0.1800 0.0957 -0.0793 494 MET A CG 1487 S SD . MET A 190 ? 1.0148 1.1992 1.2368 0.1979 0.0884 -0.0557 494 MET A SD 1488 C CE . MET A 190 ? 3.4964 3.6985 3.7138 0.2073 0.0817 -0.0511 494 MET A CE 1489 N N . ARG A 191 ? 1.0007 1.2478 1.1912 0.1405 0.1074 -0.1120 495 ARG A N 1490 C CA . ARG A 191 ? 0.9811 1.2225 1.1523 0.1255 0.1110 -0.1062 495 ARG A CA 1491 C C . ARG A 191 ? 0.8713 1.0964 1.0224 0.1293 0.1075 -0.0824 495 ARG A C 1492 O O . ARG A 191 ? 0.8362 1.0645 0.9770 0.1344 0.1042 -0.0743 495 ARG A O 1493 C CB . ARG A 191 ? 1.1054 1.3660 1.2625 0.1084 0.1148 -0.1199 495 ARG A CB 1494 C CG . ARG A 191 ? 1.2821 1.5587 1.4572 0.0992 0.1195 -0.1447 495 ARG A CG 1495 C CD . ARG A 191 ? 1.4243 1.7213 1.5848 0.0833 0.1223 -0.1594 495 ARG A CD 1496 N NE . ARG A 191 ? 1.5182 1.8328 1.6977 0.0739 0.1267 -0.1853 495 ARG A NE 1497 C CZ . ARG A 191 ? 1.5624 1.8864 1.7380 0.0544 0.1318 -0.1964 495 ARG A CZ 1498 N NH1 . ARG A 191 ? 1.5766 1.8936 1.7294 0.0433 0.1326 -0.1830 495 ARG A NH1 1499 N NH2 . ARG A 191 ? 1.5687 1.9103 1.7640 0.0454 0.1360 -0.2214 495 ARG A NH2 1500 N N . CYS A 192 ? 0.7917 1.0008 0.9381 0.1259 0.1087 -0.0724 496 CYS A N 1501 C CA . CYS A 192 ? 0.7361 0.9293 0.8656 0.1286 0.1056 -0.0514 496 CYS A CA 1502 C C . CYS A 192 ? 0.7209 0.9130 0.8309 0.1138 0.1083 -0.0471 496 CYS A C 1503 O O . CYS A 192 ? 0.7070 0.9037 0.8195 0.1034 0.1126 -0.0567 496 CYS A O 1504 C CB . CYS A 192 ? 0.7350 0.9076 0.8753 0.1395 0.1036 -0.0413 496 CYS A CB 1505 S SG . CYS A 192 ? 1.0702 1.2405 1.2314 0.1587 0.0984 -0.0403 496 CYS A SG 1506 N N . THR A 193 ? 0.7302 0.9173 0.8218 0.1127 0.1059 -0.0326 497 THR A N 1507 C CA . THR A 193 ? 0.7155 0.9002 0.7892 0.1003 0.1074 -0.0264 497 THR A CA 1508 C C . THR A 193 ? 0.6959 0.8615 0.7632 0.1042 0.1049 -0.0092 497 THR A C 1509 O O . THR A 193 ? 0.7434 0.9008 0.8104 0.1134 0.1014 0.0015 497 THR A O 1510 C CB . THR A 193 ? 0.7067 0.9027 0.7635 0.0928 0.1079 -0.0255 497 THR A CB 1511 O OG1 . THR A 193 ? 0.7926 1.0068 0.8540 0.0883 0.1104 -0.0431 497 THR A OG1 1512 C CG2 . THR A 193 ? 0.6434 0.8366 0.6833 0.0802 0.1090 -0.0188 497 THR A CG2 1513 N N . CYS A 194 ? 0.6481 0.8081 0.7102 0.0962 0.1068 -0.0074 498 CYS A N 1514 C CA . CYS A 194 ? 0.6449 0.7876 0.7008 0.0986 0.1048 0.0066 498 CYS A CA 1515 C C . CYS A 194 ? 0.6540 0.7956 0.6929 0.0941 0.1025 0.0185 498 CYS A C 1516 O O . CYS A 194 ? 0.6696 0.8156 0.6978 0.0839 0.1036 0.0194 498 CYS A O 1517 C CB . CYS A 194 ? 0.6834 0.8221 0.7408 0.0920 0.1082 0.0031 498 CYS A CB 1518 S SG . CYS A 194 ? 0.7505 0.8684 0.8002 0.0946 0.1062 0.0176 498 CYS A SG 1519 N N . VAL A 195 ? 0.6974 0.8338 0.7348 0.1014 0.0996 0.0277 499 VAL A N 1520 C CA . VAL A 195 ? 0.7563 0.8912 0.7806 0.0973 0.0984 0.0386 499 VAL A CA 1521 C C . VAL A 195 ? 0.7946 0.9132 0.8151 0.0975 0.0963 0.0497 499 VAL A C 1522 O O . VAL A 195 ? 0.7853 0.9020 0.7960 0.0908 0.0960 0.0561 499 VAL A O 1523 C CB . VAL A 195 ? 0.7447 0.8855 0.7693 0.1028 0.0975 0.0418 499 VAL A CB 1524 C CG1 . VAL A 195 ? 0.7663 0.9038 0.7804 0.0985 0.0972 0.0534 499 VAL A CG1 1525 C CG2 . VAL A 195 ? 0.6851 0.8437 0.7105 0.1007 0.1002 0.0296 499 VAL A CG2 1526 N N . GLY A 196 ? 0.8394 0.9461 0.8680 0.1050 0.0948 0.0516 500 GLY A N 1527 C CA . GLY A 196 ? 0.8754 0.9664 0.9004 0.1047 0.0931 0.0599 500 GLY A CA 1528 C C . GLY A 196 ? 0.8925 0.9772 0.9138 0.1068 0.0901 0.0711 500 GLY A C 1529 O O . GLY A 196 ? 0.8571 0.9316 0.8828 0.1130 0.0878 0.0754 500 GLY A O 1530 N N . ASN A 197 ? 0.9341 1.0250 0.9478 0.1009 0.0903 0.0758 501 ASN A N 1531 C CA . ASN A 197 ? 0.9860 1.0731 0.9974 0.1004 0.0886 0.0853 501 ASN A CA 1532 C C . ASN A 197 ? 1.0476 1.1183 1.0591 0.1013 0.0860 0.0909 501 ASN A C 1533 O O . ASN A 197 ? 1.0592 1.1257 1.0721 0.1028 0.0841 0.0971 501 ASN A O 1534 C CB . ASN A 197 ? 0.9964 1.0927 1.0123 0.1056 0.0885 0.0861 501 ASN A CB 1535 C CG . ASN A 197 ? 1.0671 1.1798 1.0795 0.1019 0.0919 0.0823 501 ASN A CG 1536 O OD1 . ASN A 197 ? 1.0702 1.1856 1.0759 0.0950 0.0939 0.0810 501 ASN A OD1 1537 N ND2 . ASN A 197 ? 1.1040 1.2280 1.1203 0.1064 0.0927 0.0805 501 ASN A ND2 1538 N N . GLY A 198 ? 1.0521 1.1145 1.0615 0.0991 0.0864 0.0880 502 GLY A N 1539 C CA . GLY A 198 ? 0.9908 1.0375 0.9987 0.0990 0.0847 0.0912 502 GLY A CA 1540 C C . GLY A 198 ? 0.9712 1.0079 0.9847 0.1063 0.0842 0.0896 502 GLY A C 1541 O O . GLY A 198 ? 0.9703 0.9932 0.9821 0.1062 0.0843 0.0889 502 GLY A O 1542 N N . ARG A 199 ? 0.9833 1.0268 1.0036 0.1128 0.0836 0.0887 503 ARG A N 1543 C CA . ARG A 199 ? 1.0185 1.0518 1.0453 0.1208 0.0821 0.0891 503 ARG A CA 1544 C C . ARG A 199 ? 0.9641 1.0000 1.0001 0.1261 0.0849 0.0795 503 ARG A C 1545 O O . ARG A 199 ? 0.9076 0.9380 0.9522 0.1344 0.0837 0.0793 503 ARG A O 1546 C CB . ARG A 199 ? 1.1026 1.1409 1.1323 0.1252 0.0786 0.0963 503 ARG A CB 1547 C CG . ARG A 199 ? 1.2225 1.2456 1.2544 0.1305 0.0752 0.1024 503 ARG A CG 1548 C CD . ARG A 199 ? 1.3021 1.3311 1.3329 0.1299 0.0715 0.1117 503 ARG A CD 1549 N NE . ARG A 199 ? 1.3743 1.3904 1.4069 0.1350 0.0673 0.1185 503 ARG A NE 1550 C CZ . ARG A 199 ? 1.4203 1.4372 1.4500 0.1321 0.0637 0.1277 503 ARG A CZ 1551 N NH1 . ARG A 199 ? 1.4224 1.4527 1.4488 0.1240 0.0647 0.1300 503 ARG A NH1 1552 N NH2 . ARG A 199 ? 1.4309 1.4354 1.4613 0.1364 0.0594 0.1345 503 ARG A NH2 1553 N N . GLY A 200 ? 0.9218 0.9663 0.9566 0.1208 0.0887 0.0715 504 GLY A N 1554 C CA . GLY A 200 ? 0.8476 0.8974 0.8923 0.1232 0.0923 0.0604 504 GLY A CA 1555 C C . GLY A 200 ? 0.7821 0.8446 0.8358 0.1294 0.0911 0.0570 504 GLY A C 1556 O O . GLY A 200 ? 0.8248 0.8874 0.8912 0.1358 0.0923 0.0500 504 GLY A O 1557 N N . GLU A 201 ? 0.6994 0.7733 0.7472 0.1272 0.0892 0.0611 505 GLU A N 1558 C CA . GLU A 201 ? 0.7002 0.7872 0.7544 0.1331 0.0878 0.0589 505 GLU A CA 1559 C C . GLU A 201 ? 0.6938 0.7965 0.7548 0.1320 0.0909 0.0451 505 GLU A C 1560 O O . GLU A 201 ? 0.6449 0.7550 0.7001 0.1229 0.0941 0.0391 505 GLU A O 1561 C CB . GLU A 201 ? 0.7534 0.8484 0.7985 0.1297 0.0864 0.0667 505 GLU A CB 1562 C CG . GLU A 201 ? 0.8343 0.9452 0.8842 0.1348 0.0857 0.0642 505 GLU A CG 1563 C CD . GLU A 201 ? 0.9106 1.0295 0.9521 0.1305 0.0859 0.0718 505 GLU A CD 1564 O OE1 . GLU A 201 ? 0.9672 1.0772 1.0014 0.1247 0.0857 0.0798 505 GLU A OE1 1565 O OE2 . GLU A 201 ? 0.9227 1.0577 0.9658 0.1325 0.0869 0.0686 505 GLU A OE2 1566 N N . TRP A 202 ? 0.7061 0.8145 0.7797 0.1410 0.0896 0.0402 506 TRP A N 1567 C CA . TRP A 202 ? 0.6771 0.8024 0.7589 0.1405 0.0921 0.0258 506 TRP A CA 1568 C C . TRP A 202 ? 0.6741 0.8153 0.7541 0.1433 0.0906 0.0256 506 TRP A C 1569 O O . TRP A 202 ? 0.7106 0.8496 0.7913 0.1505 0.0868 0.0352 506 TRP A O 1570 C CB . TRP A 202 ? 0.7023 0.8233 0.8034 0.1494 0.0923 0.0179 506 TRP A CB 1571 C CG . TRP A 202 ? 0.7616 0.8711 0.8672 0.1458 0.0962 0.0135 506 TRP A CG 1572 C CD1 . TRP A 202 ? 0.7782 0.8675 0.8856 0.1498 0.0958 0.0209 506 TRP A CD1 1573 C CD2 . TRP A 202 ? 0.7911 0.9100 0.8999 0.1362 0.1019 -0.0003 506 TRP A CD2 1574 N NE1 . TRP A 202 ? 0.7852 0.8711 0.8970 0.1438 0.1017 0.0122 506 TRP A NE1 1575 C CE2 . TRP A 202 ? 0.8006 0.9054 0.9138 0.1351 0.1053 -0.0007 506 TRP A CE2 1576 C CE3 . TRP A 202 ? 0.7768 0.9155 0.8846 0.1272 0.1048 -0.0128 506 TRP A CE3 1577 C CZ2 . TRP A 202 ? 0.8107 0.9225 0.9283 0.1254 0.1119 -0.0131 506 TRP A CZ2 1578 C CZ3 . TRP A 202 ? 0.7788 0.9237 0.8905 0.1171 0.1104 -0.0246 506 TRP A CZ3 1579 C CH2 . TRP A 202 ? 0.8025 0.9350 0.9196 0.1162 0.1140 -0.0246 506 TRP A CH2 1580 N N . THR A 203 ? 0.6578 0.8160 0.7346 0.1366 0.0938 0.0144 507 THR A N 1581 C CA . THR A 203 ? 0.6379 0.8136 0.7151 0.1395 0.0937 0.0095 507 THR A CA 1582 C C . THR A 203 ? 0.6305 0.8193 0.7206 0.1404 0.0956 -0.0088 507 THR A C 1583 O O . THR A 203 ? 0.6385 0.8313 0.7268 0.1307 0.0992 -0.0190 507 THR A O 1584 C CB . THR A 203 ? 0.6380 0.8229 0.6977 0.1293 0.0968 0.0115 507 THR A CB 1585 O OG1 . THR A 203 ? 0.6781 0.8683 0.7315 0.1179 0.1006 0.0014 507 THR A OG1 1586 C CG2 . THR A 203 ? 0.6531 0.8249 0.7023 0.1266 0.0956 0.0278 507 THR A CG2 1587 N N . CYS A 204 ? 0.6315 0.8281 0.7355 0.1515 0.0929 -0.0132 508 CYS A N 1588 C CA . CYS A 204 ? 0.6565 0.8634 0.7778 0.1541 0.0941 -0.0311 508 CYS A CA 1589 C C . CYS A 204 ? 0.6885 0.9177 0.8128 0.1566 0.0943 -0.0431 508 CYS A C 1590 O O . CYS A 204 ? 0.7218 0.9580 0.8394 0.1610 0.0925 -0.0356 508 CYS A O 1591 C CB . CYS A 204 ? 0.6712 0.8644 0.8126 0.1666 0.0908 -0.0284 508 CYS A CB 1592 S SG . CYS A 204 ? 1.3477 1.5155 1.4863 0.1630 0.0922 -0.0183 508 CYS A SG 1593 N N . ILE A 205 ? 0.6856 0.9277 0.8206 0.1528 0.0972 -0.0629 509 ILE A N 1594 C CA . ILE A 205 ? 0.6633 0.9277 0.8041 0.1553 0.0975 -0.0781 509 ILE A CA 1595 C C . ILE A 205 ? 0.6496 0.9177 0.8183 0.1648 0.0958 -0.0917 509 ILE A C 1596 O O . ILE A 205 ? 0.6939 0.9560 0.8737 0.1600 0.0983 -0.1002 509 ILE A O 1597 C CB . ILE A 205 ? 0.7029 0.9829 0.8293 0.1389 0.1034 -0.0934 509 ILE A CB 1598 C CG1 . ILE A 205 ? 0.7477 1.0233 0.8476 0.1292 0.1058 -0.0803 509 ILE A CG1 1599 C CG2 . ILE A 205 ? 0.7095 1.0129 0.8422 0.1415 0.1042 -0.1113 509 ILE A CG2 1600 C CD1 . ILE A 205 ? 0.7954 1.0535 0.8866 0.1208 0.1067 -0.0700 509 ILE A CD1 1601 N N . ALA A 206 ? 0.6244 0.9033 0.8056 0.1779 0.0917 -0.0943 510 ALA A N 1602 C CA . ALA A 206 ? 0.6178 0.9000 0.8282 0.1889 0.0892 -0.1065 510 ALA A CA 1603 C C . ALA A 206 ? 0.6982 1.0059 0.9175 0.1941 0.0880 -0.1229 510 ALA A C 1604 O O . ALA A 206 ? 0.6764 0.9972 0.8799 0.1935 0.0879 -0.1199 510 ALA A O 1605 C CB . ALA A 206 ? 0.5408 0.8036 0.7643 0.2049 0.0830 -0.0886 510 ALA A CB 1606 N N . TYR A 207 ? 0.8072 1.1227 1.0527 0.1988 0.0878 -0.1413 511 TYR A N 1607 C CA . TYR A 207 ? 0.8966 1.2357 1.1557 0.2066 0.0856 -0.1574 511 TYR A CA 1608 C C . TYR A 207 ? 0.9538 1.2871 1.2446 0.2263 0.0789 -0.1551 511 TYR A C 1609 O O . TYR A 207 ? 0.9287 1.2411 1.2333 0.2303 0.0784 -0.1480 511 TYR A O 1610 C CB . TYR A 207 ? 0.9686 1.3269 1.2309 0.1920 0.0919 -0.1864 511 TYR A CB 1611 C CG . TYR A 207 ? 1.0581 1.4222 1.2886 0.1722 0.0982 -0.1888 511 TYR A CG 1612 C CD1 . TYR A 207 ? 1.0943 1.4735 1.3042 0.1700 0.0993 -0.1887 511 TYR A CD1 1613 C CD2 . TYR A 207 ? 1.1260 1.4808 1.3473 0.1556 0.1034 -0.1912 511 TYR A CD2 1614 C CE1 . TYR A 207 ? 1.1202 1.5029 1.3014 0.1522 0.1055 -0.1905 511 TYR A CE1 1615 C CE2 . TYR A 207 ? 1.1473 1.5065 1.3398 0.1380 0.1085 -0.1921 511 TYR A CE2 1616 C CZ . TYR A 207 ? 1.1347 1.5066 1.3074 0.1366 0.1095 -0.1916 511 TYR A CZ 1617 O OH . TYR A 207 ? 1.1246 1.4991 1.2690 0.1194 0.1149 -0.1920 511 TYR A OH 1618 N N . SER A 208 ? 1.0478 1.3996 1.3499 0.2388 0.0741 -0.1608 512 SER A N 1619 C CA . SER A 208 ? 1.1441 1.4919 1.4765 0.2592 0.0665 -0.1571 512 SER A CA 1620 C C . SER A 208 ? 1.2342 1.6021 1.5956 0.2628 0.0668 -0.1856 512 SER A C 1621 O O . SER A 208 ? 1.2241 1.6084 1.5811 0.2477 0.0734 -0.2087 512 SER A O 1622 C CB . SER A 208 ? 1.1387 1.4908 1.4637 0.2734 0.0586 -0.1369 512 SER A CB 1623 O OG . SER A 208 ? 1.1174 1.4933 1.4204 0.2660 0.0613 -0.1423 512 SER A OG 1624 N N . GLN A 209 ? 1.3296 1.6964 1.7212 0.2822 0.0596 -0.1840 513 GLN A N 1625 C CA . GLN A 209 ? 1.4022 1.7871 1.8263 0.2876 0.0592 -0.2110 513 GLN A CA 1626 C C . GLN A 209 ? 1.4186 1.8174 1.8604 0.3095 0.0492 -0.2068 513 GLN A C 1627 O O . GLN A 209 ? 1.4118 1.8394 1.8572 0.3106 0.0485 -0.2255 513 GLN A O 1628 C CB . GLN A 209 ? 1.4588 1.8254 1.9126 0.2883 0.0621 -0.2181 513 GLN A CB 1629 C CG . GLN A 209 ? 1.5293 1.9146 2.0191 0.2894 0.0640 -0.2501 513 GLN A CG 1630 C CD . GLN A 209 ? 1.5360 1.9030 2.0557 0.2883 0.0688 -0.2571 513 GLN A CD 1631 O OE1 . GLN A 209 ? 1.5585 1.8979 2.0731 0.2895 0.0698 -0.2368 513 GLN A OE1 1632 N NE2 . GLN A 209 ? 1.5204 1.9038 2.0718 0.2851 0.0724 -0.2872 513 GLN A NE2 # 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 TYR 1 305 305 TYR TYR A . n A 1 2 GLY 2 306 306 GLY GLY A . n A 1 3 ASP 3 307 307 ASP ASP A . n A 1 4 CYS 4 308 308 CYS CYS A . n A 1 5 VAL 5 309 309 VAL VAL A . n A 1 6 THR 6 310 310 THR THR A . n A 1 7 ASP 7 311 311 ASP ASP A . n A 1 8 SER 8 312 312 SER SER A . n A 1 9 GLY 9 313 313 GLY GLY A . n A 1 10 VAL 10 314 314 VAL VAL A . n A 1 11 VAL 11 315 315 VAL VAL A . n A 1 12 TYR 12 316 316 TYR TYR A . n A 1 13 SER 13 317 317 SER SER A . n A 1 14 VAL 14 318 318 VAL VAL A . n A 1 15 GLY 15 319 319 GLY GLY A . n A 1 16 MET 16 320 320 MET MET A . n A 1 17 GLN 17 321 321 GLN GLN A . n A 1 18 TRP 18 322 322 TRP TRP A . n A 1 19 LEU 19 323 323 LEU LEU A . n A 1 20 LYS 20 324 324 LYS LYS A . n A 1 21 THR 21 325 325 THR THR A . n A 1 22 GLN 22 326 326 GLN GLN A . n A 1 23 GLY 23 327 327 GLY GLY A . n A 1 24 ASN 24 328 328 ASN ASN A . n A 1 25 LYS 25 329 329 LYS LYS A . n A 1 26 GLN 26 330 330 GLN GLN A . n A 1 27 MET 27 331 331 MET MET A . n A 1 28 LEU 28 332 332 LEU LEU A . n A 1 29 CYS 29 333 333 CYS CYS A . n A 1 30 THR 30 334 334 THR THR A . n A 1 31 CYS 31 335 335 CYS CYS A . n A 1 32 LEU 32 336 336 LEU LEU A . n A 1 33 GLY 33 337 337 GLY GLY A . n A 1 34 ASN 34 338 338 ASN ASN A . n A 1 35 GLY 35 339 339 GLY GLY A . n A 1 36 VAL 36 340 340 VAL VAL A . n A 1 37 SER 37 341 341 SER SER A . n A 1 38 CYS 38 342 342 CYS CYS A . n A 1 39 GLN 39 343 343 GLN GLN A . n A 1 40 GLU 40 344 344 GLU GLU A . n A 1 41 THR 41 345 345 THR THR A . n A 1 42 ALA 42 346 346 ALA ALA A . n A 1 43 VAL 43 347 347 VAL VAL A . n A 1 44 THR 44 348 348 THR THR A . n A 1 45 GLN 45 349 349 GLN GLN A . n A 1 46 THR 46 350 350 THR THR A . n A 1 47 TYR 47 351 351 TYR TYR A . n A 1 48 GLY 48 352 352 GLY GLY A . n A 1 49 GLY 49 353 353 GLY GLY A . n A 1 50 ASN 50 354 354 ASN ASN A . n A 1 51 SER 51 355 355 SER SER A . n A 1 52 ASN 52 356 356 ASN ASN A . n A 1 53 GLY 53 357 357 GLY GLY A . n A 1 54 GLU 54 358 358 GLU GLU A . n A 1 55 PRO 55 359 359 PRO PRO A . n A 1 56 CYS 56 360 360 CYS CYS A . n A 1 57 VAL 57 361 361 VAL VAL A . n A 1 58 LEU 58 362 362 LEU LEU A . n A 1 59 PRO 59 363 363 PRO PRO A . n A 1 60 PHE 60 364 364 PHE PHE A . n A 1 61 THR 61 365 365 THR THR A . n A 1 62 TYR 62 366 366 TYR TYR A . n A 1 63 ASN 63 367 367 ASN ASN A . n A 1 64 GLY 64 368 368 GLY GLY A . n A 1 65 ARG 65 369 369 ARG ARG A . n A 1 66 THR 66 370 370 THR THR A . n A 1 67 PHE 67 371 371 PHE PHE A . n A 1 68 TYR 68 372 372 TYR TYR A . n A 1 69 SER 69 373 373 SER SER A . n A 1 70 CYS 70 374 374 CYS CYS A . n A 1 71 THR 71 375 375 THR THR A . n A 1 72 THR 72 376 376 THR THR A . n A 1 73 GLU 73 377 377 GLU GLU A . n A 1 74 GLY 74 378 378 GLY GLY A . n A 1 75 ARG 75 379 379 ARG ARG A . n A 1 76 GLN 76 380 380 GLN GLN A . n A 1 77 ASP 77 381 381 ASP ASP A . n A 1 78 GLY 78 382 382 GLY GLY A . n A 1 79 HIS 79 383 383 HIS HIS A . n A 1 80 LEU 80 384 384 LEU LEU A . n A 1 81 TRP 81 385 385 TRP TRP A . n A 1 82 CYS 82 386 386 CYS CYS A . n A 1 83 SER 83 387 387 SER SER A . n A 1 84 THR 84 388 388 THR THR A . n A 1 85 THR 85 389 389 THR THR A . n A 1 86 SER 86 390 390 SER SER A . n A 1 87 ASN 87 391 391 ASN ASN A . n A 1 88 TYR 88 392 392 TYR TYR A . n A 1 89 GLU 89 393 393 GLU GLU A . n A 1 90 GLN 90 394 394 GLN GLN A . n A 1 91 ASP 91 395 395 ASP ASP A . n A 1 92 GLN 92 396 396 GLN GLN A . n A 1 93 LYS 93 397 397 LYS LYS A . n A 1 94 TYR 94 398 398 TYR TYR A . n A 1 95 SER 95 399 399 SER SER A . n A 1 96 PHE 96 400 400 PHE PHE A . n A 1 97 CYS 97 401 401 CYS CYS A . n A 1 98 THR 98 402 402 THR THR A . n A 1 99 ASP 99 403 403 ASP ASP A . n A 1 100 HIS 100 404 404 HIS HIS A . n A 1 101 THR 101 405 405 THR THR A . n A 1 102 VAL 102 406 406 VAL VAL A . n A 1 103 LEU 103 407 407 LEU LEU A . n A 1 104 VAL 104 408 408 VAL VAL A . n A 1 105 GLN 105 409 409 GLN GLN A . n A 1 106 THR 106 410 410 THR THR A . n A 1 107 ARG 107 411 411 ARG ARG A . n A 1 108 GLY 108 412 412 GLY GLY A . n A 1 109 GLY 109 413 413 GLY GLY A . n A 1 110 ASN 110 414 414 ASN ASN A . n A 1 111 SER 111 415 415 SER SER A . n A 1 112 ASN 112 416 416 ASN ASN A . n A 1 113 GLY 113 417 417 GLY GLY A . n A 1 114 ALA 114 418 418 ALA ALA A . n A 1 115 LEU 115 419 419 LEU LEU A . n A 1 116 CYS 116 420 420 CYS CYS A . n A 1 117 HIS 117 421 421 HIS HIS A . n A 1 118 PHE 118 422 422 PHE PHE A . n A 1 119 PRO 119 423 423 PRO PRO A . n A 1 120 PHE 120 424 424 PHE PHE A . n A 1 121 LEU 121 425 425 LEU LEU A . n A 1 122 TYR 122 426 426 TYR TYR A . n A 1 123 ASN 123 427 427 ASN ASN A . n A 1 124 ASN 124 428 428 ASN ASN A . n A 1 125 HIS 125 429 429 HIS HIS A . n A 1 126 ASN 126 430 430 ASN ASN A . n A 1 127 TYR 127 431 431 TYR TYR A . n A 1 128 THR 128 432 432 THR THR A . n A 1 129 ASP 129 433 433 ASP ASP A . n A 1 130 CYS 130 434 434 CYS CYS A . n A 1 131 THR 131 435 435 THR THR A . n A 1 132 SER 132 436 436 SER SER A . n A 1 133 GLU 133 437 437 GLU GLU A . n A 1 134 GLY 134 438 438 GLY GLY A . n A 1 135 ARG 135 439 439 ARG ARG A . n A 1 136 ARG 136 440 440 ARG ARG A . n A 1 137 ASP 137 441 441 ASP ASP A . n A 1 138 ASN 138 442 442 ASN ASN A . n A 1 139 MET 139 443 443 MET MET A . n A 1 140 LYS 140 444 444 LYS LYS A . n A 1 141 TRP 141 445 445 TRP TRP A . n A 1 142 CYS 142 446 446 CYS CYS A . n A 1 143 GLY 143 447 447 GLY GLY A . n A 1 144 THR 144 448 448 THR THR A . n A 1 145 THR 145 449 449 THR THR A . n A 1 146 GLN 146 450 450 GLN GLN A . n A 1 147 ASN 147 451 451 ASN ASN A . n A 1 148 TYR 148 452 452 TYR TYR A . n A 1 149 ASP 149 453 453 ASP ASP A . n A 1 150 ALA 150 454 454 ALA ALA A . n A 1 151 ASP 151 455 455 ASP ASP A . n A 1 152 GLN 152 456 456 GLN GLN A . n A 1 153 LYS 153 457 457 LYS LYS A . n A 1 154 PHE 154 458 458 PHE PHE A . n A 1 155 GLY 155 459 459 GLY GLY A . n A 1 156 PHE 156 460 460 PHE PHE A . n A 1 157 CYS 157 461 461 CYS CYS A . n A 1 158 PRO 158 462 462 PRO PRO A . n A 1 159 MET 159 463 463 MET MET A . n A 1 160 ALA 160 464 464 ALA ALA A . n A 1 161 ALA 161 465 465 ALA ALA A . n A 1 162 HIS 162 466 466 HIS HIS A . n A 1 163 GLU 163 467 467 GLU GLU A . n A 1 164 GLU 164 468 468 GLU GLU A . n A 1 165 ILE 165 469 469 ILE ILE A . n A 1 166 CYS 166 470 470 CYS CYS A . n A 1 167 THR 167 471 471 THR THR A . n A 1 168 THR 168 472 472 THR THR A . n A 1 169 ASN 169 473 473 ASN ASN A . n A 1 170 GLU 170 474 474 GLU GLU A . n A 1 171 GLY 171 475 475 GLY GLY A . n A 1 172 VAL 172 476 476 VAL VAL A . n A 1 173 MET 173 477 477 MET MET A . n A 1 174 TYR 174 478 478 TYR TYR A . n A 1 175 ARG 175 479 479 ARG ARG A . n A 1 176 ILE 176 480 480 ILE ILE A . n A 1 177 GLY 177 481 481 GLY GLY A . n A 1 178 ASP 178 482 482 ASP ASP A . n A 1 179 GLN 179 483 483 GLN GLN A . n A 1 180 TRP 180 484 484 TRP TRP A . n A 1 181 ASP 181 485 485 ASP ASP A . n A 1 182 LYS 182 486 486 LYS LYS A . n A 1 183 GLN 183 487 487 GLN GLN A . n A 1 184 HIS 184 488 488 HIS HIS A . n A 1 185 ASP 185 489 489 ASP ASP A . n A 1 186 MET 186 490 490 MET MET A . n A 1 187 GLY 187 491 491 GLY GLY A . n A 1 188 HIS 188 492 492 HIS HIS A . n A 1 189 MET 189 493 493 MET MET A . n A 1 190 MET 190 494 494 MET MET A . n A 1 191 ARG 191 495 495 ARG ARG A . n A 1 192 CYS 192 496 496 CYS CYS A . n A 1 193 THR 193 497 497 THR THR A . n A 1 194 CYS 194 498 498 CYS CYS A . n A 1 195 VAL 195 499 499 VAL VAL A . n A 1 196 GLY 196 500 500 GLY GLY A . n A 1 197 ASN 197 501 501 ASN ASN A . n A 1 198 GLY 198 502 502 GLY GLY A . n A 1 199 ARG 199 503 503 ARG ARG A . n A 1 200 GLY 200 504 504 GLY GLY A . n A 1 201 GLU 201 505 505 GLU GLU A . n A 1 202 TRP 202 506 506 TRP TRP A . n A 1 203 THR 203 507 507 THR THR A . n A 1 204 CYS 204 508 508 CYS CYS A . n A 1 205 ILE 205 509 509 ILE ILE A . n A 1 206 ALA 206 510 510 ALA ALA A . n A 1 207 TYR 207 511 511 TYR TYR A . n A 1 208 SER 208 512 512 SER SER A . n A 1 209 GLN 209 513 513 GLN GLN A . n A 1 210 LEU 210 514 ? ? ? A . n A 1 211 ARG 211 515 ? ? ? A . n A 1 212 GLY 212 516 ? ? ? A . n A 1 213 THR 213 517 ? ? ? A . n A 1 214 LYS 214 518 ? ? ? A . n A 1 215 HIS 215 519 ? ? ? A . n A 1 216 HIS 216 520 ? ? ? A . n A 1 217 HIS 217 521 ? ? ? A . n A 1 218 HIS 218 522 ? ? ? A . n A 1 219 HIS 219 523 ? ? ? A . n A 1 220 HIS 220 524 ? ? ? A . n # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 126 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 430 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _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,F # _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 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 530 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id F _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # 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 2010-08-25 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x -2.5081 _pdbx_refine_tls.origin_y -23.3915 _pdbx_refine_tls.origin_z 36.3732 _pdbx_refine_tls.T[1][1] 0.2979 _pdbx_refine_tls.T[2][2] 0.2836 _pdbx_refine_tls.T[3][3] 0.2803 _pdbx_refine_tls.T[1][2] 0.0792 _pdbx_refine_tls.T[1][3] 0.0836 _pdbx_refine_tls.T[2][3] 0.0861 _pdbx_refine_tls.L[1][1] 1.2030 _pdbx_refine_tls.L[2][2] 0.1318 _pdbx_refine_tls.L[3][3] 0.6996 _pdbx_refine_tls.L[1][2] 0.9195 _pdbx_refine_tls.L[1][3] -0.4607 _pdbx_refine_tls.L[2][3] 0.7422 _pdbx_refine_tls.S[1][1] 0.0391 _pdbx_refine_tls.S[1][2] -0.2030 _pdbx_refine_tls.S[1][3] 0.1946 _pdbx_refine_tls.S[2][1] 0.0021 _pdbx_refine_tls.S[2][2] 0.0414 _pdbx_refine_tls.S[2][3] 0.1163 _pdbx_refine_tls.S[3][1] -0.2242 _pdbx_refine_tls.S[3][2] -0.1353 _pdbx_refine_tls.S[3][3] -0.0444 # _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_auth_asym_id ? _pdbx_refine_tls_group.beg_auth_seq_id ? _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id ? _pdbx_refine_tls_group.end_auth_seq_id ? _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details 'chain A' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal MAR345dtb 'data collection' . ? 1 PHASER phasing . ? 2 PHENIX refinement '(phenix.refine: 1.6_289)' ? 3 XSCALE 'data scaling' . ? 4 SCALA 'data scaling' . ? 5 # 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 GLU A 393 ? ? -94.78 -60.53 2 1 GLN A 396 ? ? -152.22 45.74 3 1 GLU A 437 ? ? -38.93 139.53 4 1 ASN A 442 ? ? 80.28 17.91 5 1 PRO A 462 ? ? -59.77 171.88 6 1 MET A 490 ? ? 71.70 -22.74 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A LEU 514 ? A LEU 210 2 1 Y 1 A ARG 515 ? A ARG 211 3 1 Y 1 A GLY 516 ? A GLY 212 4 1 Y 1 A THR 517 ? A THR 213 5 1 Y 1 A LYS 518 ? A LYS 214 6 1 Y 1 A HIS 519 ? A HIS 215 7 1 Y 1 A HIS 520 ? A HIS 216 8 1 Y 1 A HIS 521 ? A HIS 217 9 1 Y 1 A HIS 522 ? A HIS 218 10 1 Y 1 A HIS 523 ? A HIS 219 11 1 Y 1 A HIS 524 ? A HIS 220 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 '(4S)-2-METHYL-2,4-PENTANEDIOL' MPD 4 '(4R)-2-METHYLPENTANE-2,4-DIOL' MRD 5 water HOH # 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 NAG 1 525 514 NAG NAG A . C 3 MPD 1 526 515 MPD MPD A . D 4 MRD 1 527 516 MRD MRD A . E 4 MRD 1 528 517 MRD MRD A . F 5 HOH 1 529 518 HOH HOH A . F 5 HOH 2 530 519 HOH HOH A . #