data_1PP4 # _entry.id 1PP4 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.286 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 1PP4 RCSB RCSB019471 WWPDB D_1000019471 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1DEO ;The same protein, orthorhombic P212121 space group, 1.55 AA, SO4 in active site ; unspecified PDB 1DEX ;The same protein, orthorhombic P212121 space group, 1.9 AA, no SO4 in active site ; unspecified PDB 1K7C ;The same protein, orthorhombic P212121 space group, 1.12 AA, SO4 in active site ; unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1PP4 _pdbx_database_status.recvd_initial_deposition_date 2003-06-16 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.SG_entry . _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_mr ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Molgaard, A.' 1 'Larsen, S.' 2 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Crystal packing in two pH-dependent crystal forms of rhamnogalacturonan acetylesterase.' 'Acta Crystallogr.,Sect.D' 60 472 478 2004 ABCRE6 DK 0907-4449 0766 ? 14993671 10.1107/S0907444903029767 1 ;Rhamnogalacturonan acetylesterase elucidates the structure and function of a new family of hydrolases ; 'Structure Fold.Des.' 8 373 383 2000 FODEFH UK 0969-2126 1263 ? ? '10.1016/S0969-2126(00)00118-0' 2 ;Crystallization and preliminary X-ray diffraction studies of the heterogeneously glycosylated enzyme rhamnogalacturonan acetylesterase from Aspergillus aculeatus ; 'Acta Crystallogr.,Sect.D' 54 1026 1029 1998 ABCRE6 DK 0907-4449 0766 ? ? 10.1107/S0907444998004132 3 ;A branched N-linked glycan at atomic resolution in the 1.12 A structure of rhamnogalacturonan acetylesterase ; 'Acta Crystallogr.,Sect.D' 58 111 119 2002 ABCRE6 DK 0907-4449 0766 ? ? 10.1107/S0907444901018479 4 ;Molecular cloning and characterization of a rhamnogalacturonan acetylesterase from Aspergillus aculeatus. Synergism between rhamnogalacturonan degrading enzymes ; J.Biol.Chem. 270 27172 27178 1995 JBCHA3 US 0021-9258 0071 ? ? 10.1074/jbc.270.45.27172 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Molgaard, A.' 1 primary 'Larsen, S.' 2 1 'Molgaard, A.' 3 1 'Kauppinen, S.' 4 1 'Larsen, S.' 5 2 'Molgaard, A.' 6 2 'Petersen, J.F.' 7 2 'Kauppinen, S.' 8 2 'Dalboge, H.' 9 2 'Johnsen, A.H.' 10 2 'Poulsen, J.C.N.' 11 2 'Larsen, S.' 12 3 'Molgaard, A.' 13 3 'Larsen, S.' 14 4 'Kauppinen, S.' 15 4 'Christgau, S.' 16 4 'Kofod, L.V.' 17 4 'Halkier, T.' 18 4 'Dorreich, K.' 19 4 'Dalboge, H.' 20 # _cell.entry_id 1PP4 _cell.length_a 75.360 _cell.length_b 75.360 _cell.length_c 212.300 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1PP4 _symmetry.space_group_name_H-M 'P 31 2 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 152 # 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 'Rhamnogalacturonan acetylesterase' 24622.881 2 3.1.1.- ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 3 water nat water 18.015 59 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name RGAE # _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 ;TTVYLAGDSTMAKNGGGSGTNGWGEYLASYLSATVVNDAVAGRSARSYTREGRFENIADVVTAGDYVIVEFGHNDGGSLS TDNGRTDCSGTGAEVCYSVYDGVNETILTFPAYLENAAKLFTAKGAKVILSSQTPNNPWETGTFVNSPTRFVEYAELAAE VAGVEYVDHWSYVDSIYETLGNATVNSYFPIDHTHTSPAGAEVVAEAFLKAVVCTGTSLKSVLTTTSFEGTCL ; _entity_poly.pdbx_seq_one_letter_code_can ;TTVYLAGDSTMAKNGGGSGTNGWGEYLASYLSATVVNDAVAGRSARSYTREGRFENIADVVTAGDYVIVEFGHNDGGSLS TDNGRTDCSGTGAEVCYSVYDGVNETILTFPAYLENAAKLFTAKGAKVILSSQTPNNPWETGTFVNSPTRFVEYAELAAE VAGVEYVDHWSYVDSIYETLGNATVNSYFPIDHTHTSPAGAEVVAEAFLKAVVCTGTSLKSVLTTTSFEGTCL ; _entity_poly.pdbx_strand_id A,B _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 THR n 1 2 THR n 1 3 VAL n 1 4 TYR n 1 5 LEU n 1 6 ALA n 1 7 GLY n 1 8 ASP n 1 9 SER n 1 10 THR n 1 11 MET n 1 12 ALA n 1 13 LYS n 1 14 ASN n 1 15 GLY n 1 16 GLY n 1 17 GLY n 1 18 SER n 1 19 GLY n 1 20 THR n 1 21 ASN n 1 22 GLY n 1 23 TRP n 1 24 GLY n 1 25 GLU n 1 26 TYR n 1 27 LEU n 1 28 ALA n 1 29 SER n 1 30 TYR n 1 31 LEU n 1 32 SER n 1 33 ALA n 1 34 THR n 1 35 VAL n 1 36 VAL n 1 37 ASN n 1 38 ASP n 1 39 ALA n 1 40 VAL n 1 41 ALA n 1 42 GLY n 1 43 ARG n 1 44 SER n 1 45 ALA n 1 46 ARG n 1 47 SER n 1 48 TYR n 1 49 THR n 1 50 ARG n 1 51 GLU n 1 52 GLY n 1 53 ARG n 1 54 PHE n 1 55 GLU n 1 56 ASN n 1 57 ILE n 1 58 ALA n 1 59 ASP n 1 60 VAL n 1 61 VAL n 1 62 THR n 1 63 ALA n 1 64 GLY n 1 65 ASP n 1 66 TYR n 1 67 VAL n 1 68 ILE n 1 69 VAL n 1 70 GLU n 1 71 PHE n 1 72 GLY n 1 73 HIS n 1 74 ASN n 1 75 ASP n 1 76 GLY n 1 77 GLY n 1 78 SER n 1 79 LEU n 1 80 SER n 1 81 THR n 1 82 ASP n 1 83 ASN n 1 84 GLY n 1 85 ARG n 1 86 THR n 1 87 ASP n 1 88 CYS n 1 89 SER n 1 90 GLY n 1 91 THR n 1 92 GLY n 1 93 ALA n 1 94 GLU n 1 95 VAL n 1 96 CYS n 1 97 TYR n 1 98 SER n 1 99 VAL n 1 100 TYR n 1 101 ASP n 1 102 GLY n 1 103 VAL n 1 104 ASN n 1 105 GLU n 1 106 THR n 1 107 ILE n 1 108 LEU n 1 109 THR n 1 110 PHE n 1 111 PRO n 1 112 ALA n 1 113 TYR n 1 114 LEU n 1 115 GLU n 1 116 ASN n 1 117 ALA n 1 118 ALA n 1 119 LYS n 1 120 LEU n 1 121 PHE n 1 122 THR n 1 123 ALA n 1 124 LYS n 1 125 GLY n 1 126 ALA n 1 127 LYS n 1 128 VAL n 1 129 ILE n 1 130 LEU n 1 131 SER n 1 132 SER n 1 133 GLN n 1 134 THR n 1 135 PRO n 1 136 ASN n 1 137 ASN n 1 138 PRO n 1 139 TRP n 1 140 GLU n 1 141 THR n 1 142 GLY n 1 143 THR n 1 144 PHE n 1 145 VAL n 1 146 ASN n 1 147 SER n 1 148 PRO n 1 149 THR n 1 150 ARG n 1 151 PHE n 1 152 VAL n 1 153 GLU n 1 154 TYR n 1 155 ALA n 1 156 GLU n 1 157 LEU n 1 158 ALA n 1 159 ALA n 1 160 GLU n 1 161 VAL n 1 162 ALA n 1 163 GLY n 1 164 VAL n 1 165 GLU n 1 166 TYR n 1 167 VAL n 1 168 ASP n 1 169 HIS n 1 170 TRP n 1 171 SER n 1 172 TYR n 1 173 VAL n 1 174 ASP n 1 175 SER n 1 176 ILE n 1 177 TYR n 1 178 GLU n 1 179 THR n 1 180 LEU n 1 181 GLY n 1 182 ASN n 1 183 ALA n 1 184 THR n 1 185 VAL n 1 186 ASN n 1 187 SER n 1 188 TYR n 1 189 PHE n 1 190 PRO n 1 191 ILE n 1 192 ASP n 1 193 HIS n 1 194 THR n 1 195 HIS n 1 196 THR n 1 197 SER n 1 198 PRO n 1 199 ALA n 1 200 GLY n 1 201 ALA n 1 202 GLU n 1 203 VAL n 1 204 VAL n 1 205 ALA n 1 206 GLU n 1 207 ALA n 1 208 PHE n 1 209 LEU n 1 210 LYS n 1 211 ALA n 1 212 VAL n 1 213 VAL n 1 214 CYS n 1 215 THR n 1 216 GLY n 1 217 THR n 1 218 SER n 1 219 LEU n 1 220 LYS n 1 221 SER n 1 222 VAL n 1 223 LEU n 1 224 THR n 1 225 THR n 1 226 THR n 1 227 SER n 1 228 PHE n 1 229 GLU n 1 230 GLY n 1 231 THR n 1 232 CYS n 1 233 LEU n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus Aspergillus _entity_src_gen.pdbx_gene_src_gene RHA1 _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 ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Aspergillus aculeatus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 5053 _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 'Aspergillus oryzae' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 5062 _entity_src_gen.host_org_genus Aspergillus _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 'KSM 510' _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 PHD464 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code RHA1_ASPAC _struct_ref.pdbx_db_accession Q00017 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;TTVYLAGDSTMAKNGGGSGTNGWGEYLASYLSATVVNDAVAGRSARSYTREGRFENIADVVTAGDYVIVEFGHNDGGSLS TDNGRTDCSGTGAEVCYSVYDGVNETILTFPAYLENAAKLFTAKGAKVILSSQTPNNPWETGTFVNSPTRFVEYAELAAE VAGVEYVDHWSYVDSIYETLGNATVNSYFPIDHTHTSPAGAEVVAEAFLKAVVCTGTSLKSVLTTTSFEGTCL ; _struct_ref.pdbx_align_begin 18 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 1PP4 A 1 ? 233 ? Q00017 18 ? 250 ? 1 233 2 1 1PP4 B 1 ? 233 ? Q00017 18 ? 250 ? 1 233 # 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 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 1PP4 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.53 _exptl_crystal.density_percent_sol 65.18 _exptl_crystal.description ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 298 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 4.5 _exptl_crystal_grow.pdbx_details 'PEG 4000, 2-propanol, citrate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 291 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS II' _diffrn_detector.pdbx_collection_date 1996-07-15 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator graphite _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type RIGAKU _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 1PP4 _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I 0 _reflns.d_resolution_high 2.5 _reflns.d_resolution_low 29.6 _reflns.number_all 25036 _reflns.number_obs 24979 _reflns.percent_possible_obs 98.8 _reflns.pdbx_Rmerge_I_obs 0.087 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI ? _reflns.B_iso_Wilson_estimate 56.79 _reflns.pdbx_redundancy 5.0 _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_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.49 _reflns_shell.d_res_low 2.62 _reflns_shell.percent_possible_all 93.0 _reflns_shell.Rmerge_I_obs 0.452 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 5.6 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1PP4 _refine.ls_d_res_high 2.5 _refine.ls_d_res_low 28.18 _refine.pdbx_ls_sigma_F 2.0 _refine.pdbx_ls_sigma_I ? _refine.ls_number_reflns_all 24979 _refine.ls_number_reflns_obs 24456 _refine.ls_number_reflns_R_free 2413 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_obs ? _refine.ls_R_factor_R_work 0.182 _refine.ls_R_factor_R_free 0.222 _refine.ls_redundancy_reflns_obs ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.ls_percent_reflns_R_free ? _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_starting_model 'pdb entry 1deo' _refine.pdbx_ls_cross_valid_method ? _refine.pdbx_R_Free_selection_details '10% chosen randomly' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.solvent_model_details ? _refine.solvent_model_param_bsol ? _refine.solvent_model_param_ksol ? _refine.occupancy_max ? _refine.occupancy_min ? _refine.pdbx_isotropic_thermal_model ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][2] ? _refine.aniso_B[2][3] ? _refine.aniso_B[3][3] ? _refine.details ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.overall_SU_B ? _refine.overall_SU_ML ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 3470 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 56 _refine_hist.number_atoms_solvent 59 _refine_hist.number_atoms_total 3585 _refine_hist.d_res_high 2.5 _refine_hist.d_res_low 28.18 # 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 x_bond_d 0.007 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 1.306 ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used ? _refine_ls_shell.d_res_high 2.50 _refine_ls_shell.d_res_low 2.61 _refine_ls_shell.number_reflns_R_work 2657 _refine_ls_shell.R_factor_R_work 0.316 _refine_ls_shell.percent_reflns_obs ? _refine_ls_shell.R_factor_R_free 0.348 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 291 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.R_factor_all ? # _struct.entry_id 1PP4 _struct.title 'The crystal structure of rhamnogalacturonan acetylesterase in space group P3121' _struct.pdbx_descriptor 'Rhamnogalacturonan acetylesterase (E.C.3.1.1.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1PP4 _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'GDS(L) hydrolase, HYDROLASE' # 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 1 ? C N N 2 ? D N N 2 ? E N N 2 ? F N N 2 ? G N N 3 ? H N N 3 ? # loop_ _struct_biol.id _struct_biol.details _struct_biol.pdbx_parent_biol_id 1 ;The biological assembly is a monomer represented by either the A or the B chain in the asymmetric unit ; ? 2 ? ? # 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 GLY A 22 ? LEU A 31 ? GLY A 22 LEU A 31 5 ? 10 HELX_P HELX_P2 2 SER A 44 ? GLU A 51 ? SER A 44 GLU A 51 1 ? 8 HELX_P HELX_P3 3 GLY A 52 ? VAL A 61 ? GLY A 52 VAL A 61 1 ? 10 HELX_P HELX_P4 4 SER A 78 ? ASP A 82 ? SER A 78 ASP A 82 5 ? 5 HELX_P HELX_P5 5 THR A 109 ? LYS A 124 ? THR A 109 LYS A 124 1 ? 16 HELX_P HELX_P6 6 THR A 149 ? GLY A 163 ? THR A 149 GLY A 163 1 ? 15 HELX_P HELX_P7 7 ASP A 168 ? SER A 187 ? ASP A 168 SER A 187 1 ? 20 HELX_P HELX_P8 8 SER A 197 ? GLY A 216 ? SER A 197 GLY A 216 1 ? 20 HELX_P HELX_P9 9 THR A 217 ? LEU A 223 ? THR A 217 LEU A 223 5 ? 7 HELX_P HELX_P10 10 GLY B 22 ? LEU B 31 ? GLY B 22 LEU B 31 5 ? 10 HELX_P HELX_P11 11 SER B 44 ? GLU B 51 ? SER B 44 GLU B 51 1 ? 8 HELX_P HELX_P12 12 GLY B 52 ? VAL B 61 ? GLY B 52 VAL B 61 1 ? 10 HELX_P HELX_P13 13 SER B 78 ? ASP B 82 ? SER B 78 ASP B 82 5 ? 5 HELX_P HELX_P14 14 THR B 109 ? LYS B 124 ? THR B 109 LYS B 124 1 ? 16 HELX_P HELX_P15 15 THR B 149 ? GLY B 163 ? THR B 149 GLY B 163 1 ? 15 HELX_P HELX_P16 16 ASP B 168 ? SER B 187 ? ASP B 168 SER B 187 1 ? 20 HELX_P HELX_P17 17 SER B 197 ? GLY B 216 ? SER B 197 GLY B 216 1 ? 20 HELX_P HELX_P18 18 THR B 217 ? LEU B 223 ? THR B 217 LEU B 223 5 ? 7 # _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 88 SG ? ? ? 1_555 A CYS 96 SG ? ? A CYS 88 A CYS 96 1_555 ? ? ? ? ? ? ? 2.023 ? disulf2 disulf ? ? A CYS 214 SG ? ? ? 1_555 A CYS 232 SG ? ? A CYS 214 A CYS 232 1_555 ? ? ? ? ? ? ? 2.032 ? disulf3 disulf ? ? B CYS 88 SG ? ? ? 1_555 B CYS 96 SG ? ? B CYS 88 B CYS 96 1_555 ? ? ? ? ? ? ? 2.025 ? disulf4 disulf ? ? B CYS 214 SG ? ? ? 1_555 B CYS 232 SG ? ? B CYS 214 B CYS 232 1_555 ? ? ? ? ? ? ? 2.036 ? covale1 covale ? ? A ASN 104 ND2 ? ? ? 1_555 D NAG . C1 ? ? A ASN 104 A NAG 302 1_555 ? ? ? ? ? ? ? 1.467 ? covale2 covale ? ? A ASN 182 ND2 ? ? ? 1_555 C NAG . C1 ? ? A ASN 182 A NAG 301 1_555 ? ? ? ? ? ? ? 1.467 ? covale3 covale ? ? B ASN 104 ND2 ? ? ? 1_555 F NAG . C1 ? ? B ASN 104 B NAG 302 1_555 ? ? ? ? ? ? ? 1.454 ? covale4 covale ? ? B ASN 182 ND2 ? ? ? 1_555 E NAG . C1 ? ? B ASN 182 B NAG 301 1_555 ? ? ? ? ? ? ? 1.467 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 2 ? C ? 5 ? D ? 2 ? # 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 ? parallel A 2 3 ? parallel A 3 4 ? parallel A 4 5 ? parallel B 1 2 ? anti-parallel C 1 2 ? parallel C 2 3 ? parallel C 3 4 ? parallel C 4 5 ? parallel D 1 2 ? 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 THR A 34 ? ASN A 37 ? THR A 34 ASN A 37 A 2 THR A 2 ? GLY A 7 ? THR A 2 GLY A 7 A 3 TYR A 66 ? GLU A 70 ? TYR A 66 GLU A 70 A 4 LYS A 127 ? SER A 131 ? LYS A 127 SER A 131 A 5 GLU A 165 ? VAL A 167 ? GLU A 165 VAL A 167 B 1 CYS A 96 ? TYR A 100 ? CYS A 96 TYR A 100 B 2 VAL A 103 ? ILE A 107 ? VAL A 103 ILE A 107 C 1 THR B 34 ? ASN B 37 ? THR B 34 ASN B 37 C 2 THR B 2 ? ALA B 6 ? THR B 2 ALA B 6 C 3 TYR B 66 ? VAL B 69 ? TYR B 66 VAL B 69 C 4 LYS B 127 ? SER B 131 ? LYS B 127 SER B 131 C 5 GLU B 165 ? VAL B 167 ? GLU B 165 VAL B 167 D 1 CYS B 96 ? TYR B 100 ? CYS B 96 TYR B 100 D 2 VAL B 103 ? ILE B 107 ? VAL B 103 ILE B 107 # 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 O VAL A 36 ? O VAL A 36 N VAL A 3 ? N VAL A 3 A 2 3 N TYR A 4 ? N TYR A 4 O TYR A 66 ? O TYR A 66 A 3 4 N VAL A 69 ? N VAL A 69 O SER A 131 ? O SER A 131 A 4 5 N LEU A 130 ? N LEU A 130 O GLU A 165 ? O GLU A 165 B 1 2 N CYS A 96 ? N CYS A 96 O ILE A 107 ? O ILE A 107 C 1 2 O VAL B 36 ? O VAL B 36 N VAL B 3 ? N VAL B 3 C 2 3 N TYR B 4 ? N TYR B 4 O TYR B 66 ? O TYR B 66 C 3 4 N VAL B 69 ? N VAL B 69 O SER B 131 ? O SER B 131 C 4 5 N LEU B 130 ? N LEU B 130 O GLU B 165 ? O GLU B 165 D 1 2 N CYS B 96 ? N CYS B 96 O ILE B 107 ? O ILE B 107 # 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 ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG A 301' AC2 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 302' AC3 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG B 301' AC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 302' # 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 1 ASN A 182 ? ASN A 182 . ? 1_555 ? 2 AC2 3 TYR A 97 ? TYR A 97 . ? 1_555 ? 3 AC2 3 VAL A 99 ? VAL A 99 . ? 1_555 ? 4 AC2 3 ASN A 104 ? ASN A 104 . ? 1_555 ? 5 AC3 1 ASN B 182 ? ASN B 182 . ? 1_555 ? 6 AC4 4 VAL B 99 ? VAL B 99 . ? 1_555 ? 7 AC4 4 ASN B 104 ? ASN B 104 . ? 1_555 ? 8 AC4 4 HOH H . ? HOH B 304 . ? 1_555 ? 9 AC4 4 HOH H . ? HOH B 330 . ? 1_555 ? # _database_PDB_matrix.entry_id 1PP4 _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 1PP4 _atom_sites.fract_transf_matrix[1][1] 0.01327 _atom_sites.fract_transf_matrix[1][2] 0.00766 _atom_sites.fract_transf_matrix[1][3] 0.00000 _atom_sites.fract_transf_matrix[2][1] 0.00000 _atom_sites.fract_transf_matrix[2][2] 0.01532 _atom_sites.fract_transf_matrix[2][3] 0.00000 _atom_sites.fract_transf_matrix[3][1] 0.00000 _atom_sites.fract_transf_matrix[3][2] 0.00000 _atom_sites.fract_transf_matrix[3][3] 0.00471 _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 . THR A 1 1 ? 6.971 37.374 54.455 1.00 53.35 ? 1 THR A N 1 ATOM 2 C CA . THR A 1 1 ? 6.531 38.669 53.861 1.00 55.07 ? 1 THR A CA 1 ATOM 3 C C . THR A 1 1 ? 5.983 38.451 52.455 1.00 56.92 ? 1 THR A C 1 ATOM 4 O O . THR A 1 1 ? 6.415 37.538 51.745 1.00 57.94 ? 1 THR A O 1 ATOM 5 C CB . THR A 1 1 ? 7.693 39.672 53.785 1.00 52.65 ? 1 THR A CB 1 ATOM 6 O OG1 . THR A 1 1 ? 8.216 39.888 55.097 1.00 61.15 ? 1 THR A OG1 1 ATOM 7 C CG2 . THR A 1 1 ? 7.223 41.005 53.233 1.00 54.23 ? 1 THR A CG2 1 ATOM 8 N N . THR A 1 2 ? 5.034 39.300 52.058 1.00 54.03 ? 2 THR A N 1 ATOM 9 C CA . THR A 1 2 ? 4.420 39.208 50.743 1.00 48.43 ? 2 THR A CA 1 ATOM 10 C C . THR A 1 2 ? 4.491 40.543 50.001 1.00 48.24 ? 2 THR A C 1 ATOM 11 O O . THR A 1 2 ? 4.331 41.611 50.603 1.00 45.88 ? 2 THR A O 1 ATOM 12 C CB . THR A 1 2 ? 2.945 38.760 50.847 1.00 52.50 ? 2 THR A CB 1 ATOM 13 O OG1 . THR A 1 2 ? 2.847 37.621 51.710 1.00 54.30 ? 2 THR A OG1 1 ATOM 14 C CG2 . THR A 1 2 ? 2.410 38.370 49.480 1.00 49.04 ? 2 THR A CG2 1 ATOM 15 N N . VAL A 1 3 ? 4.762 40.457 48.697 1.00 48.07 ? 3 VAL A N 1 ATOM 16 C CA . VAL A 1 3 ? 4.859 41.615 47.808 1.00 45.76 ? 3 VAL A CA 1 ATOM 17 C C . VAL A 1 3 ? 3.748 41.534 46.774 1.00 42.31 ? 3 VAL A C 1 ATOM 18 O O . VAL A 1 3 ? 3.690 40.594 45.985 1.00 43.54 ? 3 VAL A O 1 ATOM 19 C CB . VAL A 1 3 ? 6.204 41.647 47.052 1.00 44.70 ? 3 VAL A CB 1 ATOM 20 C CG1 . VAL A 1 3 ? 6.276 42.868 46.152 1.00 44.36 ? 3 VAL A CG1 1 ATOM 21 C CG2 . VAL A 1 3 ? 7.352 41.665 48.033 1.00 48.06 ? 3 VAL A CG2 1 ATOM 22 N N . TYR A 1 4 ? 2.850 42.510 46.810 1.00 39.87 ? 4 TYR A N 1 ATOM 23 C CA . TYR A 1 4 ? 1.742 42.556 45.874 1.00 38.53 ? 4 TYR A CA 1 ATOM 24 C C . TYR A 1 4 ? 2.027 43.537 44.756 1.00 40.26 ? 4 TYR A C 1 ATOM 25 O O . TYR A 1 4 ? 2.549 44.626 44.995 1.00 39.55 ? 4 TYR A O 1 ATOM 26 C CB . TYR A 1 4 ? 0.457 42.957 46.588 1.00 39.95 ? 4 TYR A CB 1 ATOM 27 C CG . TYR A 1 4 ? -0.031 41.921 47.550 1.00 40.29 ? 4 TYR A CG 1 ATOM 28 C CD1 . TYR A 1 4 ? 0.445 41.887 48.856 1.00 41.92 ? 4 TYR A CD1 1 ATOM 29 C CD2 . TYR A 1 4 ? -0.952 40.954 47.152 1.00 42.68 ? 4 TYR A CD2 1 ATOM 30 C CE1 . TYR A 1 4 ? 0.018 40.911 49.750 1.00 47.33 ? 4 TYR A CE1 1 ATOM 31 C CE2 . TYR A 1 4 ? -1.386 39.972 48.032 1.00 47.11 ? 4 TYR A CE2 1 ATOM 32 C CZ . TYR A 1 4 ? -0.895 39.955 49.334 1.00 51.49 ? 4 TYR A CZ 1 ATOM 33 O OH . TYR A 1 4 ? -1.297 38.980 50.223 1.00 53.01 ? 4 TYR A OH 1 ATOM 34 N N . LEU A 1 5 ? 1.669 43.144 43.537 1.00 41.83 ? 5 LEU A N 1 ATOM 35 C CA . LEU A 1 5 ? 1.872 43.980 42.367 1.00 36.74 ? 5 LEU A CA 1 ATOM 36 C C . LEU A 1 5 ? 0.541 44.387 41.771 1.00 35.03 ? 5 LEU A C 1 ATOM 37 O O . LEU A 1 5 ? -0.315 43.550 41.516 1.00 32.04 ? 5 LEU A O 1 ATOM 38 C CB . LEU A 1 5 ? 2.674 43.225 41.317 1.00 38.95 ? 5 LEU A CB 1 ATOM 39 C CG . LEU A 1 5 ? 4.037 42.705 41.754 1.00 37.90 ? 5 LEU A CG 1 ATOM 40 C CD1 . LEU A 1 5 ? 4.624 41.872 40.641 1.00 36.56 ? 5 LEU A CD1 1 ATOM 41 C CD2 . LEU A 1 5 ? 4.951 43.868 42.091 1.00 37.18 ? 5 LEU A CD2 1 ATOM 42 N N . ALA A 1 6 ? 0.363 45.689 41.593 1.00 35.08 ? 6 ALA A N 1 ATOM 43 C CA . ALA A 1 6 ? -0.844 46.231 40.989 1.00 32.48 ? 6 ALA A CA 1 ATOM 44 C C . ALA A 1 6 ? -0.357 46.993 39.768 1.00 32.02 ? 6 ALA A C 1 ATOM 45 O O . ALA A 1 6 ? 0.514 47.859 39.881 1.00 29.26 ? 6 ALA A O 1 ATOM 46 C CB . ALA A 1 6 ? -1.551 47.165 41.953 1.00 29.73 ? 6 ALA A CB 1 ATOM 47 N N . GLY A 1 7 ? -0.870 46.630 38.598 1.00 31.04 ? 7 GLY A N 1 ATOM 48 C CA . GLY A 1 7 ? -0.452 47.296 37.383 1.00 30.41 ? 7 GLY A CA 1 ATOM 49 C C . GLY A 1 7 ? -1.276 46.865 36.193 1.00 35.15 ? 7 GLY A C 1 ATOM 50 O O . GLY A 1 7 ? -2.352 46.278 36.361 1.00 35.53 ? 7 GLY A O 1 ATOM 51 N N . ASP A 1 8 ? -0.765 47.139 34.992 1.00 34.31 ? 8 ASP A N 1 ATOM 52 C CA . ASP A 1 8 ? -1.473 46.793 33.763 1.00 33.72 ? 8 ASP A CA 1 ATOM 53 C C . ASP A 1 8 ? -0.777 45.684 32.981 1.00 34.77 ? 8 ASP A C 1 ATOM 54 O O . ASP A 1 8 ? -0.028 44.898 33.566 1.00 35.67 ? 8 ASP A O 1 ATOM 55 C CB . ASP A 1 8 ? -1.665 48.038 32.895 1.00 30.07 ? 8 ASP A CB 1 ATOM 56 C CG . ASP A 1 8 ? -0.358 48.737 32.587 1.00 33.68 ? 8 ASP A CG 1 ATOM 57 O OD1 . ASP A 1 8 ? 0.675 48.042 32.466 1.00 33.11 ? 8 ASP A OD1 1 ATOM 58 O OD2 . ASP A 1 8 ? -0.359 49.985 32.476 1.00 36.88 ? 8 ASP A OD2 1 ATOM 59 N N . SER A 1 9 ? -0.991 45.661 31.660 1.00 36.53 ? 9 SER A N 1 ATOM 60 C CA . SER A 1 9 ? -0.424 44.641 30.770 1.00 33.54 ? 9 SER A CA 1 ATOM 61 C C . SER A 1 9 ? 1.082 44.644 30.638 1.00 32.43 ? 9 SER A C 1 ATOM 62 O O . SER A 1 9 ? 1.650 43.722 30.068 1.00 37.67 ? 9 SER A O 1 ATOM 63 C CB . SER A 1 9 ? -1.030 44.739 29.374 1.00 37.36 ? 9 SER A CB 1 ATOM 64 O OG . SER A 1 9 ? -0.623 45.923 28.717 1.00 38.92 ? 9 SER A OG 1 ATOM 65 N N . THR A 1 10 ? 1.732 45.692 31.121 1.00 30.37 ? 10 THR A N 1 ATOM 66 C CA . THR A 1 10 ? 3.184 45.765 31.045 1.00 31.38 ? 10 THR A CA 1 ATOM 67 C C . THR A 1 10 ? 3.803 45.115 32.267 1.00 33.91 ? 10 THR A C 1 ATOM 68 O O . THR A 1 10 ? 5.013 44.931 32.323 1.00 33.90 ? 10 THR A O 1 ATOM 69 C CB . THR A 1 10 ? 3.681 47.211 30.985 1.00 32.29 ? 10 THR A CB 1 ATOM 70 O OG1 . THR A 1 10 ? 3.261 47.910 32.166 1.00 37.32 ? 10 THR A OG1 1 ATOM 71 C CG2 . THR A 1 10 ? 3.142 47.904 29.761 1.00 30.02 ? 10 THR A CG2 1 ATOM 72 N N . MET A 1 11 ? 2.965 44.776 33.243 1.00 35.78 ? 11 MET A N 1 ATOM 73 C CA . MET A 1 11 ? 3.414 44.155 34.478 1.00 32.10 ? 11 MET A CA 1 ATOM 74 C C . MET A 1 11 ? 2.804 42.775 34.666 1.00 32.36 ? 11 MET A C 1 ATOM 75 O O . MET A 1 11 ? 3.436 41.879 35.222 1.00 33.16 ? 11 MET A O 1 ATOM 76 C CB . MET A 1 11 ? 3.018 45.040 35.658 1.00 30.61 ? 11 MET A CB 1 ATOM 77 C CG . MET A 1 11 ? 3.486 44.539 37.007 1.00 27.58 ? 11 MET A CG 1 ATOM 78 S SD . MET A 1 11 ? 2.633 45.391 38.334 1.00 35.84 ? 11 MET A SD 1 ATOM 79 C CE . MET A 1 11 ? 3.580 46.835 38.505 1.00 34.44 ? 11 MET A CE 1 ATOM 80 N N . ALA A 1 12 ? 1.592 42.611 34.154 1.00 29.46 ? 12 ALA A N 1 ATOM 81 C CA . ALA A 1 12 ? 0.818 41.382 34.269 1.00 31.07 ? 12 ALA A CA 1 ATOM 82 C C . ALA A 1 12 ? 1.388 40.115 33.649 1.00 37.90 ? 12 ALA A C 1 ATOM 83 O O . ALA A 1 12 ? 2.182 40.175 32.707 1.00 33.08 ? 12 ALA A O 1 ATOM 84 C CB . ALA A 1 12 ? -0.579 41.619 33.723 1.00 28.68 ? 12 ALA A CB 1 ATOM 85 N N . LYS A 1 13 ? 0.949 38.966 34.179 1.00 41.59 ? 13 LYS A N 1 ATOM 86 C CA . LYS A 1 13 ? 1.365 37.668 33.659 1.00 44.23 ? 13 LYS A CA 1 ATOM 87 C C . LYS A 1 13 ? 0.782 37.569 32.251 1.00 44.62 ? 13 LYS A C 1 ATOM 88 O O . LYS A 1 13 ? -0.369 37.936 32.028 1.00 44.19 ? 13 LYS A O 1 ATOM 89 C CB . LYS A 1 13 ? 0.840 36.517 34.528 1.00 47.15 ? 13 LYS A CB 1 ATOM 90 C CG . LYS A 1 13 ? 1.240 35.131 33.995 1.00 55.25 ? 13 LYS A CG 1 ATOM 91 C CD . LYS A 1 13 ? 0.732 33.973 34.854 1.00 60.36 ? 13 LYS A CD 1 ATOM 92 C CE . LYS A 1 13 ? 1.479 33.874 36.181 1.00 66.84 ? 13 LYS A CE 1 ATOM 93 N NZ . LYS A 1 13 ? 1.040 32.714 37.019 1.00 70.99 ? 13 LYS A NZ 1 ATOM 94 N N . ASN A 1 14 ? 1.591 37.085 31.312 1.00 42.84 ? 14 ASN A N 1 ATOM 95 C CA . ASN A 1 14 ? 1.207 36.964 29.908 1.00 46.68 ? 14 ASN A CA 1 ATOM 96 C C . ASN A 1 14 ? 1.122 38.321 29.211 1.00 45.12 ? 14 ASN A C 1 ATOM 97 O O . ASN A 1 14 ? 0.688 38.400 28.064 1.00 49.33 ? 14 ASN A O 1 ATOM 98 C CB . ASN A 1 14 ? -0.110 36.203 29.743 1.00 50.98 ? 14 ASN A CB 1 ATOM 99 C CG . ASN A 1 14 ? 0.029 34.741 30.067 1.00 57.84 ? 14 ASN A CG 1 ATOM 100 O OD1 . ASN A 1 14 ? 1.054 34.126 29.769 1.00 57.05 ? 14 ASN A OD1 1 ATOM 101 N ND2 . ASN A 1 14 ? -1.002 34.169 30.683 1.00 59.39 ? 14 ASN A ND2 1 ATOM 102 N N . GLY A 1 15 ? 1.561 39.374 29.903 1.00 39.55 ? 15 GLY A N 1 ATOM 103 C CA . GLY A 1 15 ? 1.549 40.721 29.347 1.00 36.77 ? 15 GLY A CA 1 ATOM 104 C C . GLY A 1 15 ? 0.310 41.047 28.548 1.00 36.32 ? 15 GLY A C 1 ATOM 105 O O . GLY A 1 15 ? -0.802 41.002 29.058 1.00 40.23 ? 15 GLY A O 1 ATOM 106 N N . GLY A 1 16 ? 0.496 41.361 27.278 1.00 38.59 ? 16 GLY A N 1 ATOM 107 C CA . GLY A 1 16 ? -0.645 41.667 26.439 1.00 42.17 ? 16 GLY A CA 1 ATOM 108 C C . GLY A 1 16 ? -1.023 40.474 25.577 1.00 49.80 ? 16 GLY A C 1 ATOM 109 O O . GLY A 1 16 ? -1.613 40.641 24.509 1.00 47.65 ? 16 GLY A O 1 ATOM 110 N N . GLY A 1 17 ? -0.676 39.271 26.041 1.00 54.99 ? 17 GLY A N 1 ATOM 111 C CA . GLY A 1 17 ? -0.963 38.048 25.306 1.00 57.35 ? 17 GLY A CA 1 ATOM 112 C C . GLY A 1 17 ? -0.076 37.882 24.085 1.00 61.48 ? 17 GLY A C 1 ATOM 113 O O . GLY A 1 17 ? 0.847 38.676 23.871 1.00 65.96 ? 17 GLY A O 1 ATOM 114 N N . SER A 1 18 ? -0.347 36.843 23.292 1.00 63.35 ? 18 SER A N 1 ATOM 115 C CA . SER A 1 18 ? 0.400 36.557 22.058 1.00 63.06 ? 18 SER A CA 1 ATOM 116 C C . SER A 1 18 ? 1.905 36.353 22.235 1.00 61.25 ? 18 SER A C 1 ATOM 117 O O . SER A 1 18 ? 2.681 36.651 21.326 1.00 59.73 ? 18 SER A O 1 ATOM 118 C CB . SER A 1 18 ? 0.171 37.664 21.014 1.00 69.86 ? 18 SER A CB 1 ATOM 119 O OG . SER A 1 18 ? -1.182 37.737 20.603 1.00 75.81 ? 18 SER A OG 1 ATOM 120 N N . GLY A 1 19 ? 2.321 35.866 23.399 1.00 61.11 ? 19 GLY A N 1 ATOM 121 C CA . GLY A 1 19 ? 3.739 35.636 23.633 1.00 60.46 ? 19 GLY A CA 1 ATOM 122 C C . GLY A 1 19 ? 4.523 36.767 24.284 1.00 59.68 ? 19 GLY A C 1 ATOM 123 O O . GLY A 1 19 ? 5.754 36.729 24.302 1.00 64.75 ? 19 GLY A O 1 ATOM 124 N N . THR A 1 20 ? 3.829 37.795 24.770 1.00 51.13 ? 20 THR A N 1 ATOM 125 C CA . THR A 1 20 ? 4.491 38.904 25.446 1.00 40.89 ? 20 THR A CA 1 ATOM 126 C C . THR A 1 20 ? 4.334 38.631 26.936 1.00 39.96 ? 20 THR A C 1 ATOM 127 O O . THR A 1 20 ? 3.598 37.729 27.330 1.00 40.04 ? 20 THR A O 1 ATOM 128 C CB . THR A 1 20 ? 3.843 40.248 25.104 1.00 35.57 ? 20 THR A CB 1 ATOM 129 O OG1 . THR A 1 20 ? 2.506 40.261 25.594 1.00 35.72 ? 20 THR A OG1 1 ATOM 130 C CG2 . THR A 1 20 ? 3.814 40.464 23.614 1.00 35.24 ? 20 THR A CG2 1 ATOM 131 N N . ASN A 1 21 ? 5.030 39.386 27.770 1.00 36.20 ? 21 ASN A N 1 ATOM 132 C CA . ASN A 1 21 ? 4.923 39.159 29.202 1.00 38.34 ? 21 ASN A CA 1 ATOM 133 C C . ASN A 1 21 ? 5.148 40.446 29.990 1.00 37.60 ? 21 ASN A C 1 ATOM 134 O O . ASN A 1 21 ? 5.668 41.431 29.458 1.00 34.53 ? 21 ASN A O 1 ATOM 135 C CB . ASN A 1 21 ? 5.912 38.070 29.642 1.00 39.88 ? 21 ASN A CB 1 ATOM 136 C CG . ASN A 1 21 ? 5.396 37.233 30.815 1.00 43.75 ? 21 ASN A CG 1 ATOM 137 O OD1 . ASN A 1 21 ? 6.035 36.266 31.223 1.00 43.60 ? 21 ASN A OD1 1 ATOM 138 N ND2 . ASN A 1 21 ? 4.242 37.602 31.356 1.00 45.29 ? 21 ASN A ND2 1 ATOM 139 N N . GLY A 1 22 ? 4.691 40.441 31.242 1.00 36.18 ? 22 GLY A N 1 ATOM 140 C CA . GLY A 1 22 ? 4.835 41.599 32.110 1.00 32.88 ? 22 GLY A CA 1 ATOM 141 C C . GLY A 1 22 ? 6.076 41.486 32.960 1.00 33.93 ? 22 GLY A C 1 ATOM 142 O O . GLY A 1 22 ? 6.549 40.378 33.223 1.00 35.35 ? 22 GLY A O 1 ATOM 143 N N . TRP A 1 23 ? 6.588 42.624 33.418 1.00 31.73 ? 23 TRP A N 1 ATOM 144 C CA . TRP A 1 23 ? 7.803 42.632 34.216 1.00 32.37 ? 23 TRP A CA 1 ATOM 145 C C . TRP A 1 23 ? 7.648 42.092 35.634 1.00 38.18 ? 23 TRP A C 1 ATOM 146 O O . TRP A 1 23 ? 8.646 41.734 36.277 1.00 37.18 ? 23 TRP A O 1 ATOM 147 C CB . TRP A 1 23 ? 8.456 44.020 34.220 1.00 30.90 ? 23 TRP A CB 1 ATOM 148 C CG . TRP A 1 23 ? 7.729 45.087 34.976 1.00 31.76 ? 23 TRP A CG 1 ATOM 149 C CD1 . TRP A 1 23 ? 6.847 46.000 34.468 1.00 36.55 ? 23 TRP A CD1 1 ATOM 150 C CD2 . TRP A 1 23 ? 7.861 45.393 36.366 1.00 31.77 ? 23 TRP A CD2 1 ATOM 151 N NE1 . TRP A 1 23 ? 6.424 46.856 35.456 1.00 30.70 ? 23 TRP A NE1 1 ATOM 152 C CE2 . TRP A 1 23 ? 7.029 46.504 36.633 1.00 33.18 ? 23 TRP A CE2 1 ATOM 153 C CE3 . TRP A 1 23 ? 8.601 44.840 37.412 1.00 31.89 ? 23 TRP A CE3 1 ATOM 154 C CZ2 . TRP A 1 23 ? 6.916 47.068 37.906 1.00 34.91 ? 23 TRP A CZ2 1 ATOM 155 C CZ3 . TRP A 1 23 ? 8.489 45.404 38.684 1.00 37.39 ? 23 TRP A CZ3 1 ATOM 156 C CH2 . TRP A 1 23 ? 7.651 46.507 38.915 1.00 33.50 ? 23 TRP A CH2 1 ATOM 157 N N . GLY A 1 24 ? 6.408 42.009 36.115 1.00 36.54 ? 24 GLY A N 1 ATOM 158 C CA . GLY A 1 24 ? 6.181 41.485 37.448 1.00 39.48 ? 24 GLY A CA 1 ATOM 159 C C . GLY A 1 24 ? 6.540 40.010 37.559 1.00 40.42 ? 24 GLY A C 1 ATOM 160 O O . GLY A 1 24 ? 6.795 39.486 38.651 1.00 41.09 ? 24 GLY A O 1 ATOM 161 N N . GLU A 1 25 ? 6.585 39.341 36.415 1.00 38.66 ? 25 GLU A N 1 ATOM 162 C CA . GLU A 1 25 ? 6.888 37.923 36.371 1.00 37.34 ? 25 GLU A CA 1 ATOM 163 C C . GLU A 1 25 ? 8.349 37.572 36.574 1.00 38.45 ? 25 GLU A C 1 ATOM 164 O O . GLU A 1 25 ? 8.696 36.397 36.692 1.00 38.60 ? 25 GLU A O 1 ATOM 165 C CB . GLU A 1 25 ? 6.387 37.348 35.056 1.00 36.02 ? 25 GLU A CB 1 ATOM 166 C CG . GLU A 1 25 ? 4.893 37.377 34.963 1.00 41.32 ? 25 GLU A CG 1 ATOM 167 C CD . GLU A 1 25 ? 4.266 36.553 36.066 1.00 44.74 ? 25 GLU A CD 1 ATOM 168 O OE1 . GLU A 1 25 ? 3.795 37.140 37.064 1.00 44.62 ? 25 GLU A OE1 1 ATOM 169 O OE2 . GLU A 1 25 ? 4.272 35.311 35.943 1.00 49.20 ? 25 GLU A OE2 1 ATOM 170 N N . TYR A 1 26 ? 9.197 38.592 36.656 1.00 37.31 ? 26 TYR A N 1 ATOM 171 C CA . TYR A 1 26 ? 10.625 38.364 36.813 1.00 39.82 ? 26 TYR A CA 1 ATOM 172 C C . TYR A 1 26 ? 11.229 38.912 38.097 1.00 42.67 ? 26 TYR A C 1 ATOM 173 O O . TYR A 1 26 ? 12.416 39.225 38.138 1.00 48.48 ? 26 TYR A O 1 ATOM 174 C CB . TYR A 1 26 ? 11.366 38.906 35.588 1.00 32.15 ? 26 TYR A CB 1 ATOM 175 C CG . TYR A 1 26 ? 10.880 38.275 34.304 1.00 37.86 ? 26 TYR A CG 1 ATOM 176 C CD1 . TYR A 1 26 ? 9.777 38.795 33.621 1.00 37.17 ? 26 TYR A CD1 1 ATOM 177 C CD2 . TYR A 1 26 ? 11.466 37.112 33.811 1.00 38.11 ? 26 TYR A CD2 1 ATOM 178 C CE1 . TYR A 1 26 ? 9.266 38.170 32.486 1.00 35.78 ? 26 TYR A CE1 1 ATOM 179 C CE2 . TYR A 1 26 ? 10.963 36.477 32.673 1.00 37.89 ? 26 TYR A CE2 1 ATOM 180 C CZ . TYR A 1 26 ? 9.863 37.010 32.019 1.00 40.41 ? 26 TYR A CZ 1 ATOM 181 O OH . TYR A 1 26 ? 9.354 36.373 30.907 1.00 45.61 ? 26 TYR A OH 1 ATOM 182 N N . LEU A 1 27 ? 10.432 38.985 39.157 1.00 46.90 ? 27 LEU A N 1 ATOM 183 C CA . LEU A 1 27 ? 10.921 39.504 40.433 1.00 48.76 ? 27 LEU A CA 1 ATOM 184 C C . LEU A 1 27 ? 11.210 38.423 41.453 1.00 47.97 ? 27 LEU A C 1 ATOM 185 O O . LEU A 1 27 ? 12.172 38.522 42.210 1.00 43.69 ? 27 LEU A O 1 ATOM 186 C CB . LEU A 1 27 ? 9.914 40.469 41.049 1.00 47.38 ? 27 LEU A CB 1 ATOM 187 C CG . LEU A 1 27 ? 9.710 41.856 40.460 1.00 44.06 ? 27 LEU A CG 1 ATOM 188 C CD1 . LEU A 1 27 ? 8.696 42.571 41.323 1.00 39.71 ? 27 LEU A CD1 1 ATOM 189 C CD2 . LEU A 1 27 ? 11.021 42.627 40.426 1.00 39.05 ? 27 LEU A CD2 1 ATOM 190 N N . ALA A 1 28 ? 10.343 37.417 41.485 1.00 48.16 ? 28 ALA A N 1 ATOM 191 C CA . ALA A 1 28 ? 10.447 36.306 42.421 1.00 51.49 ? 28 ALA A CA 1 ATOM 192 C C . ALA A 1 28 ? 11.861 35.815 42.752 1.00 52.44 ? 28 ALA A C 1 ATOM 193 O O . ALA A 1 28 ? 12.237 35.720 43.922 1.00 56.00 ? 28 ALA A O 1 ATOM 194 C CB . ALA A 1 28 ? 9.588 35.152 41.933 1.00 49.32 ? 28 ALA A CB 1 ATOM 195 N N . SER A 1 29 ? 12.649 35.544 41.720 1.00 53.30 ? 29 SER A N 1 ATOM 196 C CA . SER A 1 29 ? 14.011 35.030 41.883 1.00 54.81 ? 29 SER A CA 1 ATOM 197 C C . SER A 1 29 ? 15.052 35.920 42.560 1.00 50.69 ? 29 SER A C 1 ATOM 198 O O . SER A 1 29 ? 16.133 35.447 42.918 1.00 53.67 ? 29 SER A O 1 ATOM 199 C CB . SER A 1 29 ? 14.551 34.546 40.531 1.00 57.76 ? 29 SER A CB 1 ATOM 200 O OG . SER A 1 29 ? 14.397 35.532 39.523 1.00 63.19 ? 29 SER A OG 1 ATOM 201 N N . TYR A 1 30 ? 14.743 37.200 42.720 1.00 47.95 ? 30 TYR A N 1 ATOM 202 C CA . TYR A 1 30 ? 15.674 38.138 43.350 1.00 44.81 ? 30 TYR A CA 1 ATOM 203 C C . TYR A 1 30 ? 15.161 38.635 44.695 1.00 44.46 ? 30 TYR A C 1 ATOM 204 O O . TYR A 1 30 ? 15.786 39.477 45.341 1.00 43.40 ? 30 TYR A O 1 ATOM 205 C CB . TYR A 1 30 ? 15.936 39.327 42.423 1.00 46.75 ? 30 TYR A CB 1 ATOM 206 C CG . TYR A 1 30 ? 16.555 38.932 41.109 1.00 52.01 ? 30 TYR A CG 1 ATOM 207 C CD1 . TYR A 1 30 ? 15.776 38.815 39.957 1.00 52.57 ? 30 TYR A CD1 1 ATOM 208 C CD2 . TYR A 1 30 ? 17.915 38.639 41.019 1.00 51.67 ? 30 TYR A CD2 1 ATOM 209 C CE1 . TYR A 1 30 ? 16.337 38.410 38.745 1.00 58.55 ? 30 TYR A CE1 1 ATOM 210 C CE2 . TYR A 1 30 ? 18.487 38.236 39.816 1.00 58.67 ? 30 TYR A CE2 1 ATOM 211 C CZ . TYR A 1 30 ? 17.694 38.121 38.683 1.00 59.37 ? 30 TYR A CZ 1 ATOM 212 O OH . TYR A 1 30 ? 18.257 37.717 37.491 1.00 64.92 ? 30 TYR A OH 1 ATOM 213 N N . LEU A 1 31 ? 14.026 38.096 45.120 1.00 44.33 ? 31 LEU A N 1 ATOM 214 C CA . LEU A 1 31 ? 13.425 38.496 46.378 1.00 44.19 ? 31 LEU A CA 1 ATOM 215 C C . LEU A 1 31 ? 13.261 37.292 47.283 1.00 47.19 ? 31 LEU A C 1 ATOM 216 O O . LEU A 1 31 ? 12.999 36.182 46.811 1.00 49.16 ? 31 LEU A O 1 ATOM 217 C CB . LEU A 1 31 ? 12.045 39.120 46.126 1.00 44.56 ? 31 LEU A CB 1 ATOM 218 C CG . LEU A 1 31 ? 11.874 40.381 45.271 1.00 40.21 ? 31 LEU A CG 1 ATOM 219 C CD1 . LEU A 1 31 ? 10.400 40.693 45.138 1.00 36.81 ? 31 LEU A CD1 1 ATOM 220 C CD2 . LEU A 1 31 ? 12.604 41.560 45.888 1.00 38.74 ? 31 LEU A CD2 1 ATOM 221 N N . SER A 1 32 ? 13.423 37.518 48.582 1.00 48.65 ? 32 SER A N 1 ATOM 222 C CA . SER A 1 32 ? 13.260 36.461 49.573 1.00 55.64 ? 32 SER A CA 1 ATOM 223 C C . SER A 1 32 ? 11.878 36.608 50.217 1.00 56.86 ? 32 SER A C 1 ATOM 224 O O . SER A 1 32 ? 11.719 36.444 51.430 1.00 66.26 ? 32 SER A O 1 ATOM 225 C CB . SER A 1 32 ? 14.364 36.550 50.629 1.00 57.85 ? 32 SER A CB 1 ATOM 226 O OG . SER A 1 32 ? 14.495 37.869 51.119 1.00 57.69 ? 32 SER A OG 1 ATOM 227 N N . ALA A 1 33 ? 10.886 36.918 49.384 1.00 45.73 ? 33 ALA A N 1 ATOM 228 C CA . ALA A 1 33 ? 9.507 37.111 49.819 1.00 41.09 ? 33 ALA A CA 1 ATOM 229 C C . ALA A 1 33 ? 8.599 36.586 48.719 1.00 44.14 ? 33 ALA A C 1 ATOM 230 O O . ALA A 1 33 ? 9.028 36.451 47.570 1.00 54.25 ? 33 ALA A O 1 ATOM 231 C CB . ALA A 1 33 ? 9.242 38.590 50.058 1.00 35.90 ? 33 ALA A CB 1 ATOM 232 N N . THR A 1 34 ? 7.362 36.249 49.068 1.00 43.46 ? 34 THR A N 1 ATOM 233 C CA . THR A 1 34 ? 6.416 35.746 48.076 1.00 48.55 ? 34 THR A CA 1 ATOM 234 C C . THR A 1 34 ? 5.921 36.916 47.233 1.00 51.40 ? 34 THR A C 1 ATOM 235 O O . THR A 1 34 ? 5.600 37.985 47.755 1.00 51.85 ? 34 THR A O 1 ATOM 236 C CB . THR A 1 34 ? 5.204 35.063 48.731 1.00 51.96 ? 34 THR A CB 1 ATOM 237 O OG1 . THR A 1 34 ? 5.660 34.060 49.647 1.00 53.44 ? 34 THR A OG1 1 ATOM 238 C CG2 . THR A 1 34 ? 4.320 34.414 47.667 1.00 51.73 ? 34 THR A CG2 1 ATOM 239 N N . VAL A 1 35 ? 5.875 36.716 45.924 1.00 52.57 ? 35 VAL A N 1 ATOM 240 C CA . VAL A 1 35 ? 5.431 37.767 45.030 1.00 49.49 ? 35 VAL A CA 1 ATOM 241 C C . VAL A 1 35 ? 4.105 37.366 44.415 1.00 48.72 ? 35 VAL A C 1 ATOM 242 O O . VAL A 1 35 ? 3.969 36.256 43.891 1.00 46.43 ? 35 VAL A O 1 ATOM 243 C CB . VAL A 1 35 ? 6.487 38.039 43.920 1.00 51.04 ? 35 VAL A CB 1 ATOM 244 C CG1 . VAL A 1 35 ? 5.987 39.091 42.957 1.00 53.40 ? 35 VAL A CG1 1 ATOM 245 C CG2 . VAL A 1 35 ? 7.806 38.502 44.540 1.00 49.52 ? 35 VAL A CG2 1 ATOM 246 N N . VAL A 1 36 ? 3.106 38.232 44.578 1.00 46.06 ? 36 VAL A N 1 ATOM 247 C CA . VAL A 1 36 ? 1.783 38.001 44.003 1.00 43.98 ? 36 VAL A CA 1 ATOM 248 C C . VAL A 1 36 ? 1.594 39.062 42.930 1.00 42.78 ? 36 VAL A C 1 ATOM 249 O O . VAL A 1 36 ? 1.657 40.261 43.199 1.00 39.62 ? 36 VAL A O 1 ATOM 250 C CB . VAL A 1 36 ? 0.647 38.125 45.035 1.00 42.96 ? 36 VAL A CB 1 ATOM 251 C CG1 . VAL A 1 36 ? -0.665 37.707 44.397 1.00 37.95 ? 36 VAL A CG1 1 ATOM 252 C CG2 . VAL A 1 36 ? 0.937 37.268 46.261 1.00 39.02 ? 36 VAL A CG2 1 ATOM 253 N N . ASN A 1 37 ? 1.419 38.614 41.700 1.00 40.07 ? 37 ASN A N 1 ATOM 254 C CA . ASN A 1 37 ? 1.250 39.537 40.600 1.00 40.69 ? 37 ASN A CA 1 ATOM 255 C C . ASN A 1 37 ? -0.220 39.764 40.275 1.00 40.70 ? 37 ASN A C 1 ATOM 256 O O . ASN A 1 37 ? -0.806 39.027 39.482 1.00 39.38 ? 37 ASN A O 1 ATOM 257 C CB . ASN A 1 37 ? 1.986 39.015 39.370 1.00 37.34 ? 37 ASN A CB 1 ATOM 258 C CG . ASN A 1 37 ? 2.025 40.023 38.251 1.00 37.66 ? 37 ASN A CG 1 ATOM 259 O OD1 . ASN A 1 37 ? 1.363 41.058 38.313 1.00 38.52 ? 37 ASN A OD1 1 ATOM 260 N ND2 . ASN A 1 37 ? 2.816 39.739 37.227 1.00 34.19 ? 37 ASN A ND2 1 ATOM 261 N N . ASP A 1 38 ? -0.803 40.808 40.858 1.00 40.51 ? 38 ASP A N 1 ATOM 262 C CA . ASP A 1 38 ? -2.210 41.117 40.619 1.00 39.28 ? 38 ASP A CA 1 ATOM 263 C C . ASP A 1 38 ? -2.457 42.149 39.512 1.00 39.24 ? 38 ASP A C 1 ATOM 264 O O . ASP A 1 38 ? -3.517 42.784 39.465 1.00 37.44 ? 38 ASP A O 1 ATOM 265 C CB . ASP A 1 38 ? -2.896 41.538 41.922 1.00 42.45 ? 38 ASP A CB 1 ATOM 266 C CG . ASP A 1 38 ? -3.164 40.358 42.860 1.00 44.24 ? 38 ASP A CG 1 ATOM 267 O OD1 . ASP A 1 38 ? -3.448 39.232 42.378 1.00 40.89 ? 38 ASP A OD1 1 ATOM 268 O OD2 . ASP A 1 38 ? -3.099 40.562 44.092 1.00 48.63 ? 38 ASP A OD2 1 ATOM 269 N N . ALA A 1 39 ? -1.475 42.316 38.628 1.00 37.79 ? 39 ALA A N 1 ATOM 270 C CA . ALA A 1 39 ? -1.603 43.247 37.513 1.00 34.81 ? 39 ALA A CA 1 ATOM 271 C C . ALA A 1 39 ? -2.560 42.620 36.516 1.00 34.91 ? 39 ALA A C 1 ATOM 272 O O . ALA A 1 39 ? -2.613 41.400 36.386 1.00 36.82 ? 39 ALA A O 1 ATOM 273 C CB . ALA A 1 39 ? -0.263 43.482 36.869 1.00 32.66 ? 39 ALA A CB 1 ATOM 274 N N . VAL A 1 40 ? -3.353 43.447 35.855 1.00 33.22 ? 40 VAL A N 1 ATOM 275 C CA . VAL A 1 40 ? -4.311 42.951 34.878 1.00 34.46 ? 40 VAL A CA 1 ATOM 276 C C . VAL A 1 40 ? -4.196 43.786 33.616 1.00 36.51 ? 40 VAL A C 1 ATOM 277 O O . VAL A 1 40 ? -4.067 45.012 33.679 1.00 39.85 ? 40 VAL A O 1 ATOM 278 C CB . VAL A 1 40 ? -5.758 43.026 35.400 1.00 33.31 ? 40 VAL A CB 1 ATOM 279 C CG1 . VAL A 1 40 ? -6.722 42.513 34.345 1.00 37.22 ? 40 VAL A CG1 1 ATOM 280 C CG2 . VAL A 1 40 ? -5.899 42.215 36.671 1.00 36.98 ? 40 VAL A CG2 1 ATOM 281 N N . ALA A 1 41 ? -4.246 43.119 32.470 1.00 32.56 ? 41 ALA A N 1 ATOM 282 C CA . ALA A 1 41 ? -4.138 43.808 31.200 1.00 29.41 ? 41 ALA A CA 1 ATOM 283 C C . ALA A 1 41 ? -5.300 44.758 30.931 1.00 30.57 ? 41 ALA A C 1 ATOM 284 O O . ALA A 1 41 ? -6.462 44.432 31.182 1.00 32.71 ? 41 ALA A O 1 ATOM 285 C CB . ALA A 1 41 ? -4.015 42.800 30.075 1.00 21.41 ? 41 ALA A CB 1 ATOM 286 N N . GLY A 1 42 ? -4.960 45.953 30.459 1.00 31.80 ? 42 GLY A N 1 ATOM 287 C CA . GLY A 1 42 ? -5.960 46.946 30.114 1.00 31.73 ? 42 GLY A CA 1 ATOM 288 C C . GLY A 1 42 ? -6.503 47.821 31.218 1.00 34.67 ? 42 GLY A C 1 ATOM 289 O O . GLY A 1 42 ? -7.435 48.594 30.984 1.00 39.29 ? 42 GLY A O 1 ATOM 290 N N . ARG A 1 43 ? -5.900 47.748 32.401 1.00 35.86 ? 43 ARG A N 1 ATOM 291 C CA . ARG A 1 43 ? -6.365 48.531 33.546 1.00 31.15 ? 43 ARG A CA 1 ATOM 292 C C . ARG A 1 43 ? -5.686 49.866 33.802 1.00 28.93 ? 43 ARG A C 1 ATOM 293 O O . ARG A 1 43 ? -4.470 50.009 33.680 1.00 26.53 ? 43 ARG A O 1 ATOM 294 C CB . ARG A 1 43 ? -6.304 47.687 34.822 1.00 32.22 ? 43 ARG A CB 1 ATOM 295 C CG . ARG A 1 43 ? -7.553 46.885 35.093 1.00 30.75 ? 43 ARG A CG 1 ATOM 296 C CD . ARG A 1 43 ? -7.938 46.066 33.892 1.00 38.11 ? 43 ARG A CD 1 ATOM 297 N NE . ARG A 1 43 ? -9.169 45.333 34.130 1.00 42.64 ? 43 ARG A NE 1 ATOM 298 C CZ . ARG A 1 43 ? -9.650 44.393 33.321 1.00 43.18 ? 43 ARG A CZ 1 ATOM 299 N NH1 . ARG A 1 43 ? -9.000 44.066 32.205 1.00 39.94 ? 43 ARG A NH1 1 ATOM 300 N NH2 . ARG A 1 43 ? -10.781 43.767 33.638 1.00 39.49 ? 43 ARG A NH2 1 ATOM 301 N N . SER A 1 44 ? -6.501 50.836 34.190 1.00 28.14 ? 44 SER A N 1 ATOM 302 C CA . SER A 1 44 ? -6.017 52.167 34.526 1.00 27.90 ? 44 SER A CA 1 ATOM 303 C C . SER A 1 44 ? -6.275 52.338 36.027 1.00 30.14 ? 44 SER A C 1 ATOM 304 O O . SER A 1 44 ? -6.916 51.490 36.652 1.00 32.61 ? 44 SER A O 1 ATOM 305 C CB . SER A 1 44 ? -6.795 53.227 33.750 1.00 28.30 ? 44 SER A CB 1 ATOM 306 O OG . SER A 1 44 ? -8.142 53.296 34.192 1.00 25.80 ? 44 SER A OG 1 ATOM 307 N N . ALA A 1 45 ? -5.787 53.427 36.609 1.00 29.97 ? 45 ALA A N 1 ATOM 308 C CA . ALA A 1 45 ? -6.010 53.672 38.028 1.00 27.25 ? 45 ALA A CA 1 ATOM 309 C C . ALA A 1 45 ? -7.510 53.696 38.309 1.00 27.55 ? 45 ALA A C 1 ATOM 310 O O . ALA A 1 45 ? -7.964 53.178 39.322 1.00 32.73 ? 45 ALA A O 1 ATOM 311 C CB . ALA A 1 45 ? -5.369 54.978 38.435 1.00 31.35 ? 45 ALA A CB 1 ATOM 312 N N . ARG A 1 46 ? -8.278 54.261 37.385 1.00 24.42 ? 46 ARG A N 1 ATOM 313 C CA . ARG A 1 46 ? -9.727 54.330 37.529 1.00 29.80 ? 46 ARG A CA 1 ATOM 314 C C . ARG A 1 46 ? -10.355 52.938 37.422 1.00 32.92 ? 46 ARG A C 1 ATOM 315 O O . ARG A 1 46 ? -11.045 52.489 38.340 1.00 37.98 ? 46 ARG A O 1 ATOM 316 C CB . ARG A 1 46 ? -10.310 55.244 36.449 1.00 35.32 ? 46 ARG A CB 1 ATOM 317 C CG . ARG A 1 46 ? -11.830 55.287 36.383 1.00 34.04 ? 46 ARG A CG 1 ATOM 318 C CD . ARG A 1 46 ? -12.262 55.914 35.074 1.00 35.28 ? 46 ARG A CD 1 ATOM 319 N NE . ARG A 1 46 ? -13.664 55.677 34.764 1.00 35.99 ? 46 ARG A NE 1 ATOM 320 C CZ . ARG A 1 46 ? -14.230 56.002 33.608 1.00 37.60 ? 46 ARG A CZ 1 ATOM 321 N NH1 . ARG A 1 46 ? -13.516 56.574 32.648 1.00 38.11 ? 46 ARG A NH1 1 ATOM 322 N NH2 . ARG A 1 46 ? -15.519 55.774 33.419 1.00 40.16 ? 46 ARG A NH2 1 ATOM 323 N N . SER A 1 47 ? -10.121 52.282 36.285 1.00 35.38 ? 47 SER A N 1 ATOM 324 C CA . SER A 1 47 ? -10.626 50.942 35.979 1.00 31.54 ? 47 SER A CA 1 ATOM 325 C C . SER A 1 47 ? -10.315 49.958 37.119 1.00 31.28 ? 47 SER A C 1 ATOM 326 O O . SER A 1 47 ? -11.201 49.281 37.638 1.00 32.46 ? 47 SER A O 1 ATOM 327 C CB . SER A 1 47 ? -9.978 50.479 34.666 1.00 26.85 ? 47 SER A CB 1 ATOM 328 O OG . SER A 1 47 ? -10.447 49.224 34.219 1.00 38.13 ? 47 SER A OG 1 ATOM 329 N N . TYR A 1 48 ? -9.057 49.940 37.545 1.00 30.50 ? 48 TYR A N 1 ATOM 330 C CA . TYR A 1 48 ? -8.601 49.053 38.610 1.00 32.93 ? 48 TYR A CA 1 ATOM 331 C C . TYR A 1 48 ? -9.319 49.338 39.929 1.00 37.46 ? 48 TYR A C 1 ATOM 332 O O . TYR A 1 48 ? -9.643 48.412 40.675 1.00 39.80 ? 48 TYR A O 1 ATOM 333 C CB . TYR A 1 48 ? -7.093 49.214 38.800 1.00 32.57 ? 48 TYR A CB 1 ATOM 334 C CG . TYR A 1 48 ? -6.386 48.027 39.427 1.00 36.98 ? 48 TYR A CG 1 ATOM 335 C CD1 . TYR A 1 48 ? -6.036 46.912 38.662 1.00 32.17 ? 48 TYR A CD1 1 ATOM 336 C CD2 . TYR A 1 48 ? -6.008 48.046 40.769 1.00 30.68 ? 48 TYR A CD2 1 ATOM 337 C CE1 . TYR A 1 48 ? -5.327 45.856 39.214 1.00 29.61 ? 48 TYR A CE1 1 ATOM 338 C CE2 . TYR A 1 48 ? -5.297 46.996 41.325 1.00 31.17 ? 48 TYR A CE2 1 ATOM 339 C CZ . TYR A 1 48 ? -4.958 45.904 40.544 1.00 33.82 ? 48 TYR A CZ 1 ATOM 340 O OH . TYR A 1 48 ? -4.244 44.862 41.090 1.00 34.40 ? 48 TYR A OH 1 ATOM 341 N N . THR A 1 49 ? -9.547 50.617 40.222 1.00 38.65 ? 49 THR A N 1 ATOM 342 C CA . THR A 1 49 ? -10.239 51.028 41.441 1.00 35.09 ? 49 THR A CA 1 ATOM 343 C C . THR A 1 49 ? -11.708 50.606 41.405 1.00 39.48 ? 49 THR A C 1 ATOM 344 O O . THR A 1 49 ? -12.193 49.956 42.337 1.00 40.89 ? 49 THR A O 1 ATOM 345 C CB . THR A 1 49 ? -10.154 52.549 41.623 1.00 32.55 ? 49 THR A CB 1 ATOM 346 O OG1 . THR A 1 49 ? -8.780 52.927 41.745 1.00 34.60 ? 49 THR A OG1 1 ATOM 347 C CG2 . THR A 1 49 ? -10.900 52.997 42.866 1.00 31.07 ? 49 THR A CG2 1 ATOM 348 N N . ARG A 1 50 ? -12.393 50.933 40.305 1.00 37.96 ? 50 ARG A N 1 ATOM 349 C CA . ARG A 1 50 ? -13.808 50.613 40.133 1.00 36.09 ? 50 ARG A CA 1 ATOM 350 C C . ARG A 1 50 ? -14.102 49.118 40.137 1.00 40.58 ? 50 ARG A C 1 ATOM 351 O O . ARG A 1 50 ? -15.154 48.694 40.619 1.00 41.19 ? 50 ARG A O 1 ATOM 352 C CB . ARG A 1 50 ? -14.347 51.266 38.858 1.00 32.50 ? 50 ARG A CB 1 ATOM 353 C CG . ARG A 1 50 ? -15.685 50.729 38.389 1.00 29.16 ? 50 ARG A CG 1 ATOM 354 C CD . ARG A 1 50 ? -16.287 51.594 37.305 1.00 37.22 ? 50 ARG A CD 1 ATOM 355 N NE . ARG A 1 50 ? -15.346 51.925 36.233 1.00 38.75 ? 50 ARG A NE 1 ATOM 356 C CZ . ARG A 1 50 ? -14.907 51.065 35.325 1.00 36.95 ? 50 ARG A CZ 1 ATOM 357 N NH1 . ARG A 1 50 ? -15.310 49.804 35.339 1.00 45.31 ? 50 ARG A NH1 1 ATOM 358 N NH2 . ARG A 1 50 ? -14.068 51.468 34.396 1.00 35.96 ? 50 ARG A NH2 1 ATOM 359 N N . GLU A 1 51 ? -13.177 48.322 39.607 1.00 41.93 ? 51 GLU A N 1 ATOM 360 C CA . GLU A 1 51 ? -13.345 46.869 39.561 1.00 41.34 ? 51 GLU A CA 1 ATOM 361 C C . GLU A 1 51 ? -13.095 46.205 40.914 1.00 41.77 ? 51 GLU A C 1 ATOM 362 O O . GLU A 1 51 ? -13.206 44.989 41.046 1.00 43.48 ? 51 GLU A O 1 ATOM 363 C CB . GLU A 1 51 ? -12.438 46.259 38.491 1.00 39.24 ? 51 GLU A CB 1 ATOM 364 C CG . GLU A 1 51 ? -12.848 46.644 37.079 1.00 40.51 ? 51 GLU A CG 1 ATOM 365 C CD . GLU A 1 51 ? -11.912 46.122 36.007 1.00 46.40 ? 51 GLU A CD 1 ATOM 366 O OE1 . GLU A 1 51 ? -10.905 45.462 36.341 1.00 43.69 ? 51 GLU A OE1 1 ATOM 367 O OE2 . GLU A 1 51 ? -12.189 46.379 34.816 1.00 46.16 ? 51 GLU A OE2 1 ATOM 368 N N . GLY A 1 52 ? -12.760 47.014 41.914 1.00 41.27 ? 52 GLY A N 1 ATOM 369 C CA . GLY A 1 52 ? -12.521 46.499 43.248 1.00 41.95 ? 52 GLY A CA 1 ATOM 370 C C . GLY A 1 52 ? -11.215 45.754 43.420 1.00 42.35 ? 52 GLY A C 1 ATOM 371 O O . GLY A 1 52 ? -11.026 45.031 44.403 1.00 45.81 ? 52 GLY A O 1 ATOM 372 N N . ARG A 1 53 ? -10.298 45.944 42.481 1.00 39.36 ? 53 ARG A N 1 ATOM 373 C CA . ARG A 1 53 ? -9.013 45.266 42.550 1.00 38.92 ? 53 ARG A CA 1 ATOM 374 C C . ARG A 1 53 ? -8.072 45.789 43.627 1.00 38.95 ? 53 ARG A C 1 ATOM 375 O O . ARG A 1 53 ? -7.236 45.038 44.135 1.00 42.01 ? 53 ARG A O 1 ATOM 376 C CB . ARG A 1 53 ? -8.353 45.243 41.178 1.00 39.09 ? 53 ARG A CB 1 ATOM 377 C CG . ARG A 1 53 ? -9.129 44.390 40.203 1.00 33.35 ? 53 ARG A CG 1 ATOM 378 C CD . ARG A 1 53 ? -8.593 44.464 38.802 1.00 33.62 ? 53 ARG A CD 1 ATOM 379 N NE . ARG A 1 53 ? -9.511 43.785 37.907 1.00 32.09 ? 53 ARG A NE 1 ATOM 380 C CZ . ARG A 1 53 ? -9.628 42.466 37.821 1.00 33.92 ? 53 ARG A CZ 1 ATOM 381 N NH1 . ARG A 1 53 ? -8.865 41.671 38.563 1.00 31.82 ? 53 ARG A NH1 1 ATOM 382 N NH2 . ARG A 1 53 ? -10.576 41.947 37.059 1.00 37.22 ? 53 ARG A NH2 1 ATOM 383 N N . PHE A 1 54 ? -8.190 47.064 43.980 1.00 38.90 ? 54 PHE A N 1 ATOM 384 C CA . PHE A 1 54 ? -7.354 47.594 45.048 1.00 41.32 ? 54 PHE A CA 1 ATOM 385 C C . PHE A 1 54 ? -7.841 46.993 46.375 1.00 46.50 ? 54 PHE A C 1 ATOM 386 O O . PHE A 1 54 ? -7.029 46.576 47.209 1.00 43.80 ? 54 PHE A O 1 ATOM 387 C CB . PHE A 1 54 ? -7.418 49.116 45.085 1.00 37.40 ? 54 PHE A CB 1 ATOM 388 C CG . PHE A 1 54 ? -6.437 49.782 44.170 1.00 36.23 ? 54 PHE A CG 1 ATOM 389 C CD1 . PHE A 1 54 ? -6.810 50.878 43.410 1.00 36.92 ? 54 PHE A CD1 1 ATOM 390 C CD2 . PHE A 1 54 ? -5.132 49.321 44.082 1.00 34.63 ? 54 PHE A CD2 1 ATOM 391 C CE1 . PHE A 1 54 ? -5.896 51.507 42.577 1.00 38.41 ? 54 PHE A CE1 1 ATOM 392 C CE2 . PHE A 1 54 ? -4.216 49.941 43.255 1.00 36.38 ? 54 PHE A CE2 1 ATOM 393 C CZ . PHE A 1 54 ? -4.598 51.039 42.500 1.00 36.97 ? 54 PHE A CZ 1 ATOM 394 N N . GLU A 1 55 ? -9.167 46.885 46.514 1.00 50.28 ? 55 GLU A N 1 ATOM 395 C CA . GLU A 1 55 ? -9.812 46.317 47.701 1.00 54.52 ? 55 GLU A CA 1 ATOM 396 C C . GLU A 1 55 ? -9.387 44.879 47.965 1.00 52.14 ? 55 GLU A C 1 ATOM 397 O O . GLU A 1 55 ? -9.117 44.514 49.104 1.00 54.93 ? 55 GLU A O 1 ATOM 398 C CB . GLU A 1 55 ? -11.335 46.371 47.565 1.00 60.20 ? 55 GLU A CB 1 ATOM 399 C CG . GLU A 1 55 ? -11.963 47.681 48.011 1.00 71.21 ? 55 GLU A CG 1 ATOM 400 C CD . GLU A 1 55 ? -11.842 47.926 49.513 1.00 80.45 ? 55 GLU A CD 1 ATOM 401 O OE1 . GLU A 1 55 ? -11.576 46.968 50.281 1.00 81.29 ? 55 GLU A OE1 1 ATOM 402 O OE2 . GLU A 1 55 ? -12.023 49.093 49.926 1.00 83.43 ? 55 GLU A OE2 1 ATOM 403 N N . ASN A 1 56 ? -9.349 44.068 46.909 1.00 48.88 ? 56 ASN A N 1 ATOM 404 C CA . ASN A 1 56 ? -8.946 42.666 47.011 1.00 49.31 ? 56 ASN A CA 1 ATOM 405 C C . ASN A 1 56 ? -7.574 42.553 47.634 1.00 49.61 ? 56 ASN A C 1 ATOM 406 O O . ASN A 1 56 ? -7.317 41.627 48.392 1.00 51.49 ? 56 ASN A O 1 ATOM 407 C CB . ASN A 1 56 ? -8.930 41.985 45.637 1.00 53.51 ? 56 ASN A CB 1 ATOM 408 C CG . ASN A 1 56 ? -10.321 41.667 45.131 1.00 64.77 ? 56 ASN A CG 1 ATOM 409 O OD1 . ASN A 1 56 ? -11.273 41.592 45.913 1.00 70.56 ? 56 ASN A OD1 1 ATOM 410 N ND2 . ASN A 1 56 ? -10.453 41.482 43.818 1.00 61.40 ? 56 ASN A ND2 1 ATOM 411 N N . ILE A 1 57 ? -6.685 43.482 47.289 1.00 48.91 ? 57 ILE A N 1 ATOM 412 C CA . ILE A 1 57 ? -5.339 43.477 47.846 1.00 48.63 ? 57 ILE A CA 1 ATOM 413 C C . ILE A 1 57 ? -5.416 43.916 49.302 1.00 49.12 ? 57 ILE A C 1 ATOM 414 O O . ILE A 1 57 ? -4.842 43.274 50.173 1.00 49.13 ? 57 ILE A O 1 ATOM 415 C CB . ILE A 1 57 ? -4.378 44.405 47.065 1.00 46.07 ? 57 ILE A CB 1 ATOM 416 C CG1 . ILE A 1 57 ? -4.196 43.884 45.642 1.00 45.27 ? 57 ILE A CG1 1 ATOM 417 C CG2 . ILE A 1 57 ? -3.018 44.470 47.749 1.00 38.34 ? 57 ILE A CG2 1 ATOM 418 C CD1 . ILE A 1 57 ? -3.325 44.778 44.785 1.00 45.02 ? 57 ILE A CD1 1 ATOM 419 N N . ALA A 1 58 ? -6.170 44.975 49.573 1.00 54.33 ? 58 ALA A N 1 ATOM 420 C CA . ALA A 1 58 ? -6.306 45.482 50.936 1.00 57.95 ? 58 ALA A CA 1 ATOM 421 C C . ALA A 1 58 ? -6.856 44.439 51.910 1.00 58.09 ? 58 ALA A C 1 ATOM 422 O O . ALA A 1 58 ? -6.419 44.364 53.058 1.00 58.84 ? 58 ALA A O 1 ATOM 423 C CB . ALA A 1 58 ? -7.185 46.720 50.949 1.00 56.09 ? 58 ALA A CB 1 ATOM 424 N N . ASP A 1 59 ? -7.793 43.621 51.437 1.00 58.03 ? 59 ASP A N 1 ATOM 425 C CA . ASP A 1 59 ? -8.410 42.594 52.273 1.00 59.87 ? 59 ASP A CA 1 ATOM 426 C C . ASP A 1 59 ? -7.413 41.555 52.756 1.00 59.79 ? 59 ASP A C 1 ATOM 427 O O . ASP A 1 59 ? -7.470 41.141 53.915 1.00 69.82 ? 59 ASP A O 1 ATOM 428 C CB . ASP A 1 59 ? -9.562 41.883 51.536 1.00 62.29 ? 59 ASP A CB 1 ATOM 429 C CG . ASP A 1 59 ? -10.802 42.764 51.350 1.00 67.38 ? 59 ASP A CG 1 ATOM 430 O OD1 . ASP A 1 59 ? -10.917 43.828 52.000 1.00 66.30 ? 59 ASP A OD1 1 ATOM 431 O OD2 . ASP A 1 59 ? -11.678 42.375 50.547 1.00 61.43 ? 59 ASP A OD2 1 ATOM 432 N N . VAL A 1 60 ? -6.480 41.171 51.886 1.00 56.41 ? 60 VAL A N 1 ATOM 433 C CA . VAL A 1 60 ? -5.470 40.152 52.211 1.00 56.47 ? 60 VAL A CA 1 ATOM 434 C C . VAL A 1 60 ? -4.088 40.630 52.700 1.00 57.53 ? 60 VAL A C 1 ATOM 435 O O . VAL A 1 60 ? -3.302 39.835 53.225 1.00 59.18 ? 60 VAL A O 1 ATOM 436 C CB . VAL A 1 60 ? -5.248 39.183 51.020 1.00 52.49 ? 60 VAL A CB 1 ATOM 437 C CG1 . VAL A 1 60 ? -6.544 38.498 50.651 1.00 53.12 ? 60 VAL A CG1 1 ATOM 438 C CG2 . VAL A 1 60 ? -4.681 39.928 49.824 1.00 54.70 ? 60 VAL A CG2 1 ATOM 439 N N . VAL A 1 61 ? -3.780 41.909 52.520 1.00 57.81 ? 61 VAL A N 1 ATOM 440 C CA . VAL A 1 61 ? -2.490 42.427 52.946 1.00 56.85 ? 61 VAL A CA 1 ATOM 441 C C . VAL A 1 61 ? -2.381 42.442 54.475 1.00 60.14 ? 61 VAL A C 1 ATOM 442 O O . VAL A 1 61 ? -3.338 42.781 55.178 1.00 59.17 ? 61 VAL A O 1 ATOM 443 C CB . VAL A 1 61 ? -2.236 43.845 52.360 1.00 55.80 ? 61 VAL A CB 1 ATOM 444 C CG1 . VAL A 1 61 ? -3.141 44.878 53.022 1.00 59.05 ? 61 VAL A CG1 1 ATOM 445 C CG2 . VAL A 1 61 ? -0.775 44.226 52.498 1.00 55.63 ? 61 VAL A CG2 1 ATOM 446 N N . THR A 1 62 ? -1.241 41.982 54.979 1.00 65.71 ? 62 THR A N 1 ATOM 447 C CA . THR A 1 62 ? -0.985 41.968 56.414 1.00 65.97 ? 62 THR A CA 1 ATOM 448 C C . THR A 1 62 ? 0.173 42.922 56.703 1.00 64.05 ? 62 THR A C 1 ATOM 449 O O . THR A 1 62 ? 0.978 43.205 55.813 1.00 69.46 ? 62 THR A O 1 ATOM 450 C CB . THR A 1 62 ? -0.653 40.552 56.930 1.00 65.46 ? 62 THR A CB 1 ATOM 451 O OG1 . THR A 1 62 ? -0.546 40.591 58.355 1.00 76.34 ? 62 THR A OG1 1 ATOM 452 C CG2 . THR A 1 62 ? 0.656 40.040 56.349 1.00 60.81 ? 62 THR A CG2 1 ATOM 453 N N . ALA A 1 63 ? 0.246 43.425 57.935 1.00 58.74 ? 63 ALA A N 1 ATOM 454 C CA . ALA A 1 63 ? 1.299 44.368 58.329 1.00 54.82 ? 63 ALA A CA 1 ATOM 455 C C . ALA A 1 63 ? 2.702 43.902 57.946 1.00 53.37 ? 63 ALA A C 1 ATOM 456 O O . ALA A 1 63 ? 3.041 42.733 58.131 1.00 50.40 ? 63 ALA A O 1 ATOM 457 C CB . ALA A 1 63 ? 1.225 44.634 59.812 1.00 54.07 ? 63 ALA A CB 1 ATOM 458 N N . GLY A 1 64 ? 3.509 44.815 57.408 1.00 48.58 ? 64 GLY A N 1 ATOM 459 C CA . GLY A 1 64 ? 4.859 44.459 56.999 1.00 47.06 ? 64 GLY A CA 1 ATOM 460 C C . GLY A 1 64 ? 4.983 44.060 55.530 1.00 52.16 ? 64 GLY A C 1 ATOM 461 O O . GLY A 1 64 ? 6.099 43.950 55.009 1.00 51.90 ? 64 GLY A O 1 ATOM 462 N N . ASP A 1 65 ? 3.846 43.816 54.871 1.00 47.32 ? 65 ASP A N 1 ATOM 463 C CA . ASP A 1 65 ? 3.818 43.454 53.455 1.00 44.52 ? 65 ASP A CA 1 ATOM 464 C C . ASP A 1 65 ? 4.134 44.653 52.571 1.00 45.95 ? 65 ASP A C 1 ATOM 465 O O . ASP A 1 65 ? 4.161 45.790 53.047 1.00 43.57 ? 65 ASP A O 1 ATOM 466 C CB . ASP A 1 65 ? 2.447 42.912 53.069 1.00 40.91 ? 65 ASP A CB 1 ATOM 467 C CG . ASP A 1 65 ? 2.238 41.486 53.513 1.00 42.29 ? 65 ASP A CG 1 ATOM 468 O OD1 . ASP A 1 65 ? 1.108 40.976 53.360 1.00 35.76 ? 65 ASP A OD1 1 ATOM 469 O OD2 . ASP A 1 65 ? 3.205 40.867 54.008 1.00 49.06 ? 65 ASP A OD2 1 ATOM 470 N N . TYR A 1 66 ? 4.379 44.389 51.287 1.00 48.56 ? 66 TYR A N 1 ATOM 471 C CA . TYR A 1 66 ? 4.683 45.438 50.310 1.00 47.01 ? 66 TYR A CA 1 ATOM 472 C C . TYR A 1 66 ? 3.681 45.488 49.158 1.00 44.36 ? 66 TYR A C 1 ATOM 473 O O . TYR A 1 66 ? 3.213 44.455 48.672 1.00 40.39 ? 66 TYR A O 1 ATOM 474 C CB . TYR A 1 66 ? 6.069 45.240 49.711 1.00 44.84 ? 66 TYR A CB 1 ATOM 475 C CG . TYR A 1 66 ? 7.212 45.515 50.645 1.00 46.90 ? 66 TYR A CG 1 ATOM 476 C CD1 . TYR A 1 66 ? 7.775 44.492 51.398 1.00 47.02 ? 66 TYR A CD1 1 ATOM 477 C CD2 . TYR A 1 66 ? 7.788 46.777 50.715 1.00 48.06 ? 66 TYR A CD2 1 ATOM 478 C CE1 . TYR A 1 66 ? 8.894 44.711 52.194 1.00 45.98 ? 66 TYR A CE1 1 ATOM 479 C CE2 . TYR A 1 66 ? 8.909 47.013 51.510 1.00 50.11 ? 66 TYR A CE2 1 ATOM 480 C CZ . TYR A 1 66 ? 9.458 45.970 52.245 1.00 50.16 ? 66 TYR A CZ 1 ATOM 481 O OH . TYR A 1 66 ? 10.578 46.176 53.024 1.00 57.55 ? 66 TYR A OH 1 ATOM 482 N N . VAL A 1 67 ? 3.366 46.700 48.714 1.00 40.86 ? 67 VAL A N 1 ATOM 483 C CA . VAL A 1 67 ? 2.439 46.876 47.608 1.00 39.44 ? 67 VAL A CA 1 ATOM 484 C C . VAL A 1 67 ? 3.043 47.849 46.619 1.00 39.43 ? 67 VAL A C 1 ATOM 485 O O . VAL A 1 67 ? 3.363 48.983 46.972 1.00 35.89 ? 67 VAL A O 1 ATOM 486 C CB . VAL A 1 67 ? 1.085 47.409 48.067 1.00 40.04 ? 67 VAL A CB 1 ATOM 487 C CG1 . VAL A 1 67 ? 0.120 47.445 46.884 1.00 42.81 ? 67 VAL A CG1 1 ATOM 488 C CG2 . VAL A 1 67 ? 0.526 46.537 49.179 1.00 34.51 ? 67 VAL A CG2 1 ATOM 489 N N . ILE A 1 68 ? 3.244 47.375 45.392 1.00 38.67 ? 68 ILE A N 1 ATOM 490 C CA . ILE A 1 68 ? 3.828 48.180 44.322 1.00 36.97 ? 68 ILE A CA 1 ATOM 491 C C . ILE A 1 68 ? 2.759 48.506 43.292 1.00 36.98 ? 68 ILE A C 1 ATOM 492 O O . ILE A 1 68 ? 2.183 47.614 42.671 1.00 34.49 ? 68 ILE A O 1 ATOM 493 C CB . ILE A 1 68 ? 4.969 47.438 43.642 1.00 36.16 ? 68 ILE A CB 1 ATOM 494 C CG1 . ILE A 1 68 ? 6.010 47.030 44.679 1.00 30.62 ? 68 ILE A CG1 1 ATOM 495 C CG2 . ILE A 1 68 ? 5.600 48.314 42.581 1.00 35.48 ? 68 ILE A CG2 1 ATOM 496 C CD1 . ILE A 1 68 ? 7.073 46.121 44.126 1.00 32.30 ? 68 ILE A CD1 1 ATOM 497 N N . VAL A 1 69 ? 2.508 49.795 43.113 1.00 35.76 ? 69 VAL A N 1 ATOM 498 C CA . VAL A 1 69 ? 1.484 50.262 42.193 1.00 35.79 ? 69 VAL A CA 1 ATOM 499 C C . VAL A 1 69 ? 2.093 51.015 41.025 1.00 36.65 ? 69 VAL A C 1 ATOM 500 O O . VAL A 1 69 ? 2.833 51.969 41.222 1.00 34.23 ? 69 VAL A O 1 ATOM 501 C CB . VAL A 1 69 ? 0.499 51.188 42.925 1.00 34.51 ? 69 VAL A CB 1 ATOM 502 C CG1 . VAL A 1 69 ? -0.620 51.618 41.997 1.00 33.50 ? 69 VAL A CG1 1 ATOM 503 C CG2 . VAL A 1 69 ? -0.051 50.482 44.156 1.00 34.43 ? 69 VAL A CG2 1 ATOM 504 N N . GLU A 1 70 ? 1.765 50.593 39.810 1.00 35.53 ? 70 GLU A N 1 ATOM 505 C CA . GLU A 1 70 ? 2.296 51.239 38.617 1.00 33.66 ? 70 GLU A CA 1 ATOM 506 C C . GLU A 1 70 ? 1.271 51.241 37.484 1.00 32.58 ? 70 GLU A C 1 ATOM 507 O O . GLU A 1 70 ? 0.928 50.191 36.938 1.00 33.42 ? 70 GLU A O 1 ATOM 508 C CB . GLU A 1 70 ? 3.568 50.528 38.174 1.00 33.32 ? 70 GLU A CB 1 ATOM 509 C CG . GLU A 1 70 ? 4.221 51.106 36.935 1.00 31.31 ? 70 GLU A CG 1 ATOM 510 C CD . GLU A 1 70 ? 5.448 50.330 36.546 1.00 30.94 ? 70 GLU A CD 1 ATOM 511 O OE1 . GLU A 1 70 ? 5.404 49.634 35.510 1.00 34.21 ? 70 GLU A OE1 1 ATOM 512 O OE2 . GLU A 1 70 ? 6.454 50.403 37.288 1.00 32.20 ? 70 GLU A OE2 1 ATOM 513 N N . PHE A 1 71 ? 0.783 52.433 37.151 1.00 31.31 ? 71 PHE A N 1 ATOM 514 C CA . PHE A 1 71 ? -0.209 52.629 36.097 1.00 27.05 ? 71 PHE A CA 1 ATOM 515 C C . PHE A 1 71 ? 0.177 53.831 35.266 1.00 27.60 ? 71 PHE A C 1 ATOM 516 O O . PHE A 1 71 ? 1.076 54.594 35.638 1.00 29.25 ? 71 PHE A O 1 ATOM 517 C CB . PHE A 1 71 ? -1.592 52.881 36.701 1.00 22.78 ? 71 PHE A CB 1 ATOM 518 C CG . PHE A 1 71 ? -2.216 51.664 37.310 1.00 29.48 ? 71 PHE A CG 1 ATOM 519 C CD1 . PHE A 1 71 ? -2.223 51.477 38.684 1.00 29.30 ? 71 PHE A CD1 1 ATOM 520 C CD2 . PHE A 1 71 ? -2.796 50.693 36.504 1.00 32.55 ? 71 PHE A CD2 1 ATOM 521 C CE1 . PHE A 1 71 ? -2.794 50.343 39.243 1.00 29.18 ? 71 PHE A CE1 1 ATOM 522 C CE2 . PHE A 1 71 ? -3.369 49.559 37.057 1.00 29.18 ? 71 PHE A CE2 1 ATOM 523 C CZ . PHE A 1 71 ? -3.367 49.386 38.430 1.00 30.37 ? 71 PHE A CZ 1 ATOM 524 N N . GLY A 1 72 ? -0.516 54.013 34.148 1.00 26.37 ? 72 GLY A N 1 ATOM 525 C CA . GLY A 1 72 ? -0.245 55.152 33.291 1.00 27.13 ? 72 GLY A CA 1 ATOM 526 C C . GLY A 1 72 ? -0.582 54.891 31.839 1.00 32.27 ? 72 GLY A C 1 ATOM 527 O O . GLY A 1 72 ? -1.219 55.715 31.186 1.00 32.28 ? 72 GLY A O 1 ATOM 528 N N . HIS A 1 73 ? -0.175 53.725 31.344 1.00 33.23 ? 73 HIS A N 1 ATOM 529 C CA . HIS A 1 73 ? -0.406 53.346 29.958 1.00 30.51 ? 73 HIS A CA 1 ATOM 530 C C . HIS A 1 73 ? -1.837 53.413 29.476 1.00 30.16 ? 73 HIS A C 1 ATOM 531 O O . HIS A 1 73 ? -2.070 53.750 28.319 1.00 34.71 ? 73 HIS A O 1 ATOM 532 C CB . HIS A 1 73 ? 0.138 51.950 29.680 1.00 29.75 ? 73 HIS A CB 1 ATOM 533 C CG . HIS A 1 73 ? 1.598 51.926 29.367 1.00 31.91 ? 73 HIS A CG 1 ATOM 534 N ND1 . HIS A 1 73 ? 2.541 51.449 30.249 1.00 35.08 ? 73 HIS A ND1 1 ATOM 535 C CD2 . HIS A 1 73 ? 2.278 52.313 28.263 1.00 36.12 ? 73 HIS A CD2 1 ATOM 536 C CE1 . HIS A 1 73 ? 3.740 51.540 29.702 1.00 32.66 ? 73 HIS A CE1 1 ATOM 537 N NE2 . HIS A 1 73 ? 3.608 52.062 28.498 1.00 32.27 ? 73 HIS A NE2 1 ATOM 538 N N . ASN A 1 74 ? -2.788 53.096 30.352 1.00 26.17 ? 74 ASN A N 1 ATOM 539 C CA . ASN A 1 74 ? -4.204 53.099 29.977 1.00 25.63 ? 74 ASN A CA 1 ATOM 540 C C . ASN A 1 74 ? -5.025 54.221 30.588 1.00 27.89 ? 74 ASN A C 1 ATOM 541 O O . ASN A 1 74 ? -6.250 54.226 30.448 1.00 28.95 ? 74 ASN A O 1 ATOM 542 C CB . ASN A 1 74 ? -4.842 51.770 30.372 1.00 25.38 ? 74 ASN A CB 1 ATOM 543 C CG . ASN A 1 74 ? -4.197 50.598 29.688 1.00 30.27 ? 74 ASN A CG 1 ATOM 544 O OD1 . ASN A 1 74 ? -4.549 50.262 28.567 1.00 39.38 ? 74 ASN A OD1 1 ATOM 545 N ND2 . ASN A 1 74 ? -3.234 49.976 30.348 1.00 34.03 ? 74 ASN A ND2 1 ATOM 546 N N . ASP A 1 75 ? -4.351 55.196 31.194 1.00 30.38 ? 75 ASP A N 1 ATOM 547 C CA . ASP A 1 75 ? -5.017 56.299 31.883 1.00 32.13 ? 75 ASP A CA 1 ATOM 548 C C . ASP A 1 75 ? -5.399 57.541 31.074 1.00 36.55 ? 75 ASP A C 1 ATOM 549 O O . ASP A 1 75 ? -6.029 58.476 31.601 1.00 33.55 ? 75 ASP A O 1 ATOM 550 C CB . ASP A 1 75 ? -4.198 56.679 33.117 1.00 33.68 ? 75 ASP A CB 1 ATOM 551 C CG . ASP A 1 75 ? -4.096 55.538 34.118 1.00 33.55 ? 75 ASP A CG 1 ATOM 552 O OD1 . ASP A 1 75 ? -4.723 55.608 35.189 1.00 39.69 ? 75 ASP A OD1 1 ATOM 553 O OD2 . ASP A 1 75 ? -3.394 54.553 33.832 1.00 42.41 ? 75 ASP A OD2 1 ATOM 554 N N . GLY A 1 76 ? -5.038 57.536 29.792 1.00 41.57 ? 76 GLY A N 1 ATOM 555 C CA . GLY A 1 76 ? -5.355 58.657 28.925 1.00 43.94 ? 76 GLY A CA 1 ATOM 556 C C . GLY A 1 76 ? -6.608 58.428 28.103 1.00 45.53 ? 76 GLY A C 1 ATOM 557 O O . GLY A 1 76 ? -7.390 57.515 28.380 1.00 46.05 ? 76 GLY A O 1 ATOM 558 N N . GLY A 1 77 ? -6.796 59.261 27.085 1.00 46.70 ? 77 GLY A N 1 ATOM 559 C CA . GLY A 1 77 ? -7.963 59.133 26.230 1.00 47.87 ? 77 GLY A CA 1 ATOM 560 C C . GLY A 1 77 ? -8.959 60.263 26.407 1.00 49.07 ? 77 GLY A C 1 ATOM 561 O O . GLY A 1 77 ? -8.657 61.286 27.035 1.00 48.13 ? 77 GLY A O 1 ATOM 562 N N . SER A 1 78 ? -10.152 60.079 25.848 1.00 48.34 ? 78 SER A N 1 ATOM 563 C CA . SER A 1 78 ? -11.191 61.091 25.937 1.00 54.23 ? 78 SER A CA 1 ATOM 564 C C . SER A 1 78 ? -12.479 60.538 26.523 1.00 53.05 ? 78 SER A C 1 ATOM 565 O O . SER A 1 78 ? -12.914 59.437 26.181 1.00 52.28 ? 78 SER A O 1 ATOM 566 C CB . SER A 1 78 ? -11.463 61.704 24.560 1.00 60.35 ? 78 SER A CB 1 ATOM 567 O OG . SER A 1 78 ? -12.171 62.927 24.675 1.00 70.17 ? 78 SER A OG 1 ATOM 568 N N . LEU A 1 79 ? -13.073 61.328 27.414 1.00 52.92 ? 79 LEU A N 1 ATOM 569 C CA . LEU A 1 79 ? -14.319 60.993 28.093 1.00 51.08 ? 79 LEU A CA 1 ATOM 570 C C . LEU A 1 79 ? -15.566 61.194 27.226 1.00 54.24 ? 79 LEU A C 1 ATOM 571 O O . LEU A 1 79 ? -16.672 60.840 27.644 1.00 52.69 ? 79 LEU A O 1 ATOM 572 C CB . LEU A 1 79 ? -14.442 61.802 29.387 1.00 45.51 ? 79 LEU A CB 1 ATOM 573 C CG . LEU A 1 79 ? -14.215 61.094 30.728 1.00 44.82 ? 79 LEU A CG 1 ATOM 574 C CD1 . LEU A 1 79 ? -13.163 60.028 30.632 1.00 38.41 ? 79 LEU A CD1 1 ATOM 575 C CD2 . LEU A 1 79 ? -13.833 62.117 31.776 1.00 42.06 ? 79 LEU A CD2 1 ATOM 576 N N . SER A 1 80 ? -15.393 61.772 26.036 1.00 57.95 ? 80 SER A N 1 ATOM 577 C CA . SER A 1 80 ? -16.508 61.984 25.102 1.00 59.76 ? 80 SER A CA 1 ATOM 578 C C . SER A 1 80 ? -17.054 60.598 24.752 1.00 60.95 ? 80 SER A C 1 ATOM 579 O O . SER A 1 80 ? -18.267 60.384 24.662 1.00 59.19 ? 80 SER A O 1 ATOM 580 C CB . SER A 1 80 ? -16.007 62.658 23.829 1.00 63.18 ? 80 SER A CB 1 ATOM 581 O OG . SER A 1 80 ? -15.230 63.790 24.140 1.00 70.96 ? 80 SER A OG 1 ATOM 582 N N . THR A 1 81 ? -16.119 59.682 24.509 1.00 62.07 ? 81 THR A N 1 ATOM 583 C CA . THR A 1 81 ? -16.402 58.285 24.210 1.00 58.97 ? 81 THR A CA 1 ATOM 584 C C . THR A 1 81 ? -15.638 57.526 25.278 1.00 54.81 ? 81 THR A C 1 ATOM 585 O O . THR A 1 81 ? -14.551 56.994 25.051 1.00 57.09 ? 81 THR A O 1 ATOM 586 C CB . THR A 1 81 ? -15.905 57.879 22.820 1.00 60.41 ? 81 THR A CB 1 ATOM 587 O OG1 . THR A 1 81 ? -14.629 58.482 22.559 1.00 57.52 ? 81 THR A OG1 1 ATOM 588 C CG2 . THR A 1 81 ? -16.916 58.292 21.777 1.00 63.37 ? 81 THR A CG2 1 ATOM 589 N N . ASP A 1 82 ? -16.206 57.564 26.473 1.00 48.13 ? 82 ASP A N 1 ATOM 590 C CA . ASP A 1 82 ? -15.636 56.937 27.650 1.00 45.59 ? 82 ASP A CA 1 ATOM 591 C C . ASP A 1 82 ? -15.316 55.469 27.420 1.00 44.75 ? 82 ASP A C 1 ATOM 592 O O . ASP A 1 82 ? -16.207 54.685 27.102 1.00 45.26 ? 82 ASP A O 1 ATOM 593 C CB . ASP A 1 82 ? -16.629 57.083 28.806 1.00 44.72 ? 82 ASP A CB 1 ATOM 594 C CG . ASP A 1 82 ? -16.002 56.839 30.164 1.00 43.49 ? 82 ASP A CG 1 ATOM 595 O OD1 . ASP A 1 82 ? -14.868 56.316 30.248 1.00 43.68 ? 82 ASP A OD1 1 ATOM 596 O OD2 . ASP A 1 82 ? -16.660 57.183 31.160 1.00 39.35 ? 82 ASP A OD2 1 ATOM 597 N N . ASN A 1 83 ? -14.044 55.102 27.559 1.00 43.45 ? 83 ASN A N 1 ATOM 598 C CA . ASN A 1 83 ? -13.641 53.707 27.384 1.00 40.22 ? 83 ASN A CA 1 ATOM 599 C C . ASN A 1 83 ? -13.622 52.975 28.717 1.00 40.60 ? 83 ASN A C 1 ATOM 600 O O . ASN A 1 83 ? -13.293 51.790 28.780 1.00 38.05 ? 83 ASN A O 1 ATOM 601 C CB . ASN A 1 83 ? -12.271 53.606 26.710 1.00 39.50 ? 83 ASN A CB 1 ATOM 602 C CG . ASN A 1 83 ? -11.177 54.296 27.492 1.00 40.91 ? 83 ASN A CG 1 ATOM 603 O OD1 . ASN A 1 83 ? -11.395 54.790 28.596 1.00 40.59 ? 83 ASN A OD1 1 ATOM 604 N ND2 . ASN A 1 83 ? -9.988 54.341 26.914 1.00 39.09 ? 83 ASN A ND2 1 ATOM 605 N N . GLY A 1 84 ? -13.963 53.702 29.780 1.00 37.04 ? 84 GLY A N 1 ATOM 606 C CA . GLY A 1 84 ? -13.994 53.132 31.114 1.00 36.86 ? 84 GLY A CA 1 ATOM 607 C C . GLY A 1 84 ? -12.684 53.231 31.870 1.00 39.13 ? 84 GLY A C 1 ATOM 608 O O . GLY A 1 84 ? -12.636 52.958 33.066 1.00 42.81 ? 84 GLY A O 1 ATOM 609 N N . ARG A 1 85 ? -11.614 53.629 31.189 1.00 40.11 ? 85 ARG A N 1 ATOM 610 C CA . ARG A 1 85 ? -10.323 53.737 31.851 1.00 35.38 ? 85 ARG A CA 1 ATOM 611 C C . ARG A 1 85 ? -9.799 55.142 32.057 1.00 32.93 ? 85 ARG A C 1 ATOM 612 O O . ARG A 1 85 ? -9.157 55.424 33.060 1.00 34.46 ? 85 ARG A O 1 ATOM 613 C CB . ARG A 1 85 ? -9.285 52.880 31.137 1.00 30.71 ? 85 ARG A CB 1 ATOM 614 C CG . ARG A 1 85 ? -9.502 51.420 31.407 1.00 39.67 ? 85 ARG A CG 1 ATOM 615 C CD . ARG A 1 85 ? -10.266 50.756 30.300 1.00 41.64 ? 85 ARG A CD 1 ATOM 616 N NE . ARG A 1 85 ? -9.315 50.240 29.324 1.00 52.85 ? 85 ARG A NE 1 ATOM 617 C CZ . ARG A 1 85 ? -9.593 49.955 28.059 1.00 55.29 ? 85 ARG A CZ 1 ATOM 618 N NH1 . ARG A 1 85 ? -10.824 50.135 27.574 1.00 54.22 ? 85 ARG A NH1 1 ATOM 619 N NH2 . ARG A 1 85 ? -8.625 49.478 27.282 1.00 61.55 ? 85 ARG A NH2 1 ATOM 620 N N . THR A 1 86 ? -10.102 56.026 31.121 1.00 32.43 ? 86 THR A N 1 ATOM 621 C CA . THR A 1 86 ? -9.639 57.405 31.175 1.00 34.49 ? 86 THR A CA 1 ATOM 622 C C . THR A 1 86 ? -9.942 58.112 32.496 1.00 37.49 ? 86 THR A C 1 ATOM 623 O O . THR A 1 86 ? -11.090 58.159 32.928 1.00 39.50 ? 86 THR A O 1 ATOM 624 C CB . THR A 1 86 ? -10.260 58.220 30.038 1.00 31.69 ? 86 THR A CB 1 ATOM 625 O OG1 . THR A 1 86 ? -10.091 57.514 28.800 1.00 35.58 ? 86 THR A OG1 1 ATOM 626 C CG2 . THR A 1 86 ? -9.606 59.589 29.946 1.00 27.20 ? 86 THR A CG2 1 ATOM 627 N N . ASP A 1 87 ? -8.902 58.641 33.140 1.00 37.26 ? 87 ASP A N 1 ATOM 628 C CA . ASP A 1 87 ? -9.060 59.370 34.393 1.00 38.05 ? 87 ASP A CA 1 ATOM 629 C C . ASP A 1 87 ? -9.479 60.803 34.078 1.00 39.05 ? 87 ASP A C 1 ATOM 630 O O . ASP A 1 87 ? -9.441 61.228 32.921 1.00 41.38 ? 87 ASP A O 1 ATOM 631 C CB . ASP A 1 87 ? -7.738 59.448 35.161 1.00 37.63 ? 87 ASP A CB 1 ATOM 632 C CG . ASP A 1 87 ? -7.130 58.101 35.440 1.00 37.51 ? 87 ASP A CG 1 ATOM 633 O OD1 . ASP A 1 87 ? -5.926 57.968 35.203 1.00 42.64 ? 87 ASP A OD1 1 ATOM 634 O OD2 . ASP A 1 87 ? -7.820 57.191 35.935 1.00 43.08 ? 87 ASP A OD2 1 ATOM 635 N N . CYS A 1 88 ? -9.832 61.556 35.119 1.00 39.78 ? 88 CYS A N 1 ATOM 636 C CA . CYS A 1 88 ? -10.226 62.955 34.970 1.00 36.20 ? 88 CYS A CA 1 ATOM 637 C C . CYS A 1 88 ? -8.941 63.757 34.930 1.00 36.80 ? 88 CYS A C 1 ATOM 638 O O . CYS A 1 88 ? -8.005 63.454 35.661 1.00 37.97 ? 88 CYS A O 1 ATOM 639 C CB . CYS A 1 88 ? -11.087 63.386 36.157 1.00 40.84 ? 88 CYS A CB 1 ATOM 640 S SG . CYS A 1 88 ? -11.746 65.079 36.080 1.00 36.22 ? 88 CYS A SG 1 ATOM 641 N N . SER A 1 89 ? -8.884 64.756 34.054 1.00 37.90 ? 89 SER A N 1 ATOM 642 C CA . SER A 1 89 ? -7.689 65.590 33.918 1.00 37.23 ? 89 SER A CA 1 ATOM 643 C C . SER A 1 89 ? -7.410 66.423 35.153 1.00 38.28 ? 89 SER A C 1 ATOM 644 O O . SER A 1 89 ? -8.339 66.878 35.831 1.00 42.69 ? 89 SER A O 1 ATOM 645 C CB . SER A 1 89 ? -7.795 66.512 32.708 1.00 43.05 ? 89 SER A CB 1 ATOM 646 O OG . SER A 1 89 ? -7.866 65.770 31.506 1.00 49.92 ? 89 SER A OG 1 ATOM 647 N N . GLY A 1 90 ? -6.124 66.655 35.404 1.00 38.32 ? 90 GLY A N 1 ATOM 648 C CA . GLY A 1 90 ? -5.710 67.419 36.564 1.00 38.64 ? 90 GLY A CA 1 ATOM 649 C C . GLY A 1 90 ? -4.865 66.571 37.493 1.00 38.32 ? 90 GLY A C 1 ATOM 650 O O . GLY A 1 90 ? -4.637 65.388 37.232 1.00 37.80 ? 90 GLY A O 1 ATOM 651 N N . THR A 1 91 ? -4.427 67.162 38.600 1.00 37.06 ? 91 THR A N 1 ATOM 652 C CA . THR A 1 91 ? -3.587 66.451 39.553 1.00 36.47 ? 91 THR A CA 1 ATOM 653 C C . THR A 1 91 ? -4.104 66.494 40.982 1.00 39.77 ? 91 THR A C 1 ATOM 654 O O . THR A 1 91 ? -3.454 65.951 41.887 1.00 38.68 ? 91 THR A O 1 ATOM 655 C CB . THR A 1 91 ? -2.170 67.026 39.581 1.00 37.57 ? 91 THR A CB 1 ATOM 656 O OG1 . THR A 1 91 ? -2.210 68.351 40.115 1.00 36.57 ? 91 THR A OG1 1 ATOM 657 C CG2 . THR A 1 91 ? -1.582 67.065 38.193 1.00 32.54 ? 91 THR A CG2 1 ATOM 658 N N . GLY A 1 92 ? -5.263 67.121 41.186 1.00 41.78 ? 92 GLY A N 1 ATOM 659 C CA . GLY A 1 92 ? -5.811 67.231 42.527 1.00 38.83 ? 92 GLY A CA 1 ATOM 660 C C . GLY A 1 92 ? -7.221 66.736 42.749 1.00 38.20 ? 92 GLY A C 1 ATOM 661 O O . GLY A 1 92 ? -7.592 65.641 42.322 1.00 36.58 ? 92 GLY A O 1 ATOM 662 N N . ALA A 1 93 ? -8.012 67.561 43.426 1.00 39.52 ? 93 ALA A N 1 ATOM 663 C CA . ALA A 1 93 ? -9.387 67.216 43.767 1.00 41.26 ? 93 ALA A CA 1 ATOM 664 C C . ALA A 1 93 ? -10.389 67.297 42.616 1.00 39.26 ? 93 ALA A C 1 ATOM 665 O O . ALA A 1 93 ? -11.598 67.158 42.827 1.00 39.91 ? 93 ALA A O 1 ATOM 666 C CB . ALA A 1 93 ? -9.859 68.057 44.948 1.00 43.01 ? 93 ALA A CB 1 ATOM 667 N N . GLU A 1 94 ? -9.893 67.515 41.402 1.00 38.40 ? 94 GLU A N 1 ATOM 668 C CA . GLU A 1 94 ? -10.769 67.589 40.239 1.00 37.38 ? 94 GLU A CA 1 ATOM 669 C C . GLU A 1 94 ? -11.655 66.347 40.179 1.00 38.99 ? 94 GLU A C 1 ATOM 670 O O . GLU A 1 94 ? -11.236 65.252 40.575 1.00 46.16 ? 94 GLU A O 1 ATOM 671 C CB . GLU A 1 94 ? -9.956 67.727 38.949 1.00 41.34 ? 94 GLU A CB 1 ATOM 672 C CG . GLU A 1 94 ? -9.359 69.113 38.707 1.00 39.72 ? 94 GLU A CG 1 ATOM 673 C CD . GLU A 1 94 ? -7.925 69.268 39.185 1.00 41.39 ? 94 GLU A CD 1 ATOM 674 O OE1 . GLU A 1 94 ? -7.442 68.419 39.961 1.00 40.22 ? 94 GLU A OE1 1 ATOM 675 O OE2 . GLU A 1 94 ? -7.274 70.253 38.773 1.00 39.62 ? 94 GLU A OE2 1 ATOM 676 N N . VAL A 1 95 ? -12.902 66.533 39.757 1.00 39.50 ? 95 VAL A N 1 ATOM 677 C CA . VAL A 1 95 ? -13.843 65.428 39.663 1.00 39.86 ? 95 VAL A CA 1 ATOM 678 C C . VAL A 1 95 ? -14.656 65.545 38.379 1.00 42.43 ? 95 VAL A C 1 ATOM 679 O O . VAL A 1 95 ? -15.226 66.599 38.087 1.00 46.77 ? 95 VAL A O 1 ATOM 680 C CB . VAL A 1 95 ? -14.767 65.380 40.902 1.00 39.15 ? 95 VAL A CB 1 ATOM 681 C CG1 . VAL A 1 95 ? -15.611 66.644 40.988 1.00 47.17 ? 95 VAL A CG1 1 ATOM 682 C CG2 . VAL A 1 95 ? -15.641 64.150 40.858 1.00 45.26 ? 95 VAL A CG2 1 ATOM 683 N N . CYS A 1 96 ? -14.631 64.475 37.583 1.00 44.19 ? 96 CYS A N 1 ATOM 684 C CA . CYS A 1 96 ? -15.348 64.401 36.312 1.00 40.55 ? 96 CYS A CA 1 ATOM 685 C C . CYS A 1 96 ? -16.541 63.466 36.435 1.00 44.01 ? 96 CYS A C 1 ATOM 686 O O . CYS A 1 96 ? -16.539 62.541 37.246 1.00 44.34 ? 96 CYS A O 1 ATOM 687 C CB . CYS A 1 96 ? -14.425 63.866 35.218 1.00 33.24 ? 96 CYS A CB 1 ATOM 688 S SG . CYS A 1 96 ? -13.135 64.995 34.612 1.00 37.18 ? 96 CYS A SG 1 ATOM 689 N N . TYR A 1 97 ? -17.563 63.714 35.628 1.00 48.05 ? 97 TYR A N 1 ATOM 690 C CA . TYR A 1 97 ? -18.757 62.878 35.629 1.00 50.50 ? 97 TYR A CA 1 ATOM 691 C C . TYR A 1 97 ? -18.916 62.307 34.227 1.00 49.67 ? 97 TYR A C 1 ATOM 692 O O . TYR A 1 97 ? -18.566 62.957 33.239 1.00 49.72 ? 97 TYR A O 1 ATOM 693 C CB . TYR A 1 97 ? -19.993 63.694 36.018 1.00 54.43 ? 97 TYR A CB 1 ATOM 694 C CG . TYR A 1 97 ? -19.912 64.301 37.398 1.00 59.13 ? 97 TYR A CG 1 ATOM 695 C CD1 . TYR A 1 97 ? -19.413 65.590 37.582 1.00 60.02 ? 97 TYR A CD1 1 ATOM 696 C CD2 . TYR A 1 97 ? -20.309 63.578 38.524 1.00 61.79 ? 97 TYR A CD2 1 ATOM 697 C CE1 . TYR A 1 97 ? -19.304 66.147 38.856 1.00 66.35 ? 97 TYR A CE1 1 ATOM 698 C CE2 . TYR A 1 97 ? -20.205 64.125 39.806 1.00 66.45 ? 97 TYR A CE2 1 ATOM 699 C CZ . TYR A 1 97 ? -19.698 65.411 39.964 1.00 68.84 ? 97 TYR A CZ 1 ATOM 700 O OH . TYR A 1 97 ? -19.565 65.960 41.224 1.00 74.63 ? 97 TYR A OH 1 ATOM 701 N N . SER A 1 98 ? -19.406 61.074 34.149 1.00 49.42 ? 98 SER A N 1 ATOM 702 C CA . SER A 1 98 ? -19.599 60.404 32.873 1.00 47.35 ? 98 SER A CA 1 ATOM 703 C C . SER A 1 98 ? -20.392 59.126 33.057 1.00 47.74 ? 98 SER A C 1 ATOM 704 O O . SER A 1 98 ? -20.211 58.412 34.036 1.00 47.49 ? 98 SER A O 1 ATOM 705 C CB . SER A 1 98 ? -18.248 60.074 32.236 1.00 43.59 ? 98 SER A CB 1 ATOM 706 O OG . SER A 1 98 ? -18.423 59.494 30.957 1.00 48.88 ? 98 SER A OG 1 ATOM 707 N N . VAL A 1 99 ? -21.286 58.857 32.113 1.00 51.62 ? 99 VAL A N 1 ATOM 708 C CA . VAL A 1 99 ? -22.095 57.652 32.155 1.00 54.54 ? 99 VAL A CA 1 ATOM 709 C C . VAL A 1 99 ? -21.341 56.550 31.444 1.00 55.14 ? 99 VAL A C 1 ATOM 710 O O . VAL A 1 99 ? -21.153 56.605 30.227 1.00 55.16 ? 99 VAL A O 1 ATOM 711 C CB . VAL A 1 99 ? -23.461 57.830 31.449 1.00 57.14 ? 99 VAL A CB 1 ATOM 712 C CG1 . VAL A 1 99 ? -24.204 56.495 31.405 1.00 53.70 ? 99 VAL A CG1 1 ATOM 713 C CG2 . VAL A 1 99 ? -24.300 58.874 32.170 1.00 55.97 ? 99 VAL A CG2 1 ATOM 714 N N . TYR A 1 100 ? -20.870 55.578 32.214 1.00 55.59 ? 100 TYR A N 1 ATOM 715 C CA . TYR A 1 100 ? -20.156 54.448 31.649 1.00 57.24 ? 100 TYR A CA 1 ATOM 716 C C . TYR A 1 100 ? -20.828 53.163 32.091 1.00 60.80 ? 100 TYR A C 1 ATOM 717 O O . TYR A 1 100 ? -21.003 52.927 33.292 1.00 57.58 ? 100 TYR A O 1 ATOM 718 C CB . TYR A 1 100 ? -18.695 54.420 32.086 1.00 51.75 ? 100 TYR A CB 1 ATOM 719 C CG . TYR A 1 100 ? -17.988 53.172 31.604 1.00 50.19 ? 100 TYR A CG 1 ATOM 720 C CD1 . TYR A 1 100 ? -17.632 53.028 30.266 1.00 48.01 ? 100 TYR A CD1 1 ATOM 721 C CD2 . TYR A 1 100 ? -17.717 52.116 32.476 1.00 46.26 ? 100 TYR A CD2 1 ATOM 722 C CE1 . TYR A 1 100 ? -17.029 51.866 29.810 1.00 47.97 ? 100 TYR A CE1 1 ATOM 723 C CE2 . TYR A 1 100 ? -17.113 50.950 32.027 1.00 42.67 ? 100 TYR A CE2 1 ATOM 724 C CZ . TYR A 1 100 ? -16.772 50.832 30.697 1.00 45.95 ? 100 TYR A CZ 1 ATOM 725 O OH . TYR A 1 100 ? -16.167 49.683 30.251 1.00 43.56 ? 100 TYR A OH 1 ATOM 726 N N . ASP A 1 101 ? -21.201 52.340 31.114 1.00 65.95 ? 101 ASP A N 1 ATOM 727 C CA . ASP A 1 101 ? -21.843 51.063 31.386 1.00 69.35 ? 101 ASP A CA 1 ATOM 728 C C . ASP A 1 101 ? -23.158 51.265 32.153 1.00 67.77 ? 101 ASP A C 1 ATOM 729 O O . ASP A 1 101 ? -23.484 50.519 33.081 1.00 64.33 ? 101 ASP A O 1 ATOM 730 C CB . ASP A 1 101 ? -20.867 50.164 32.158 1.00 72.99 ? 101 ASP A CB 1 ATOM 731 C CG . ASP A 1 101 ? -21.275 48.713 32.149 1.00 81.24 ? 101 ASP A CG 1 ATOM 732 O OD1 . ASP A 1 101 ? -21.309 48.119 33.248 1.00 83.17 ? 101 ASP A OD1 1 ATOM 733 O OD2 . ASP A 1 101 ? -21.556 48.171 31.051 1.00 83.33 ? 101 ASP A OD2 1 ATOM 734 N N . GLY A 1 102 ? -23.883 52.315 31.775 1.00 65.97 ? 102 GLY A N 1 ATOM 735 C CA . GLY A 1 102 ? -25.158 52.619 32.397 1.00 64.92 ? 102 GLY A CA 1 ATOM 736 C C . GLY A 1 102 ? -25.169 53.182 33.810 1.00 65.09 ? 102 GLY A C 1 ATOM 737 O O . GLY A 1 102 ? -26.200 53.110 34.481 1.00 65.69 ? 102 GLY A O 1 ATOM 738 N N . VAL A 1 103 ? -24.050 53.739 34.273 1.00 65.19 ? 103 VAL A N 1 ATOM 739 C CA . VAL A 1 103 ? -23.972 54.325 35.619 1.00 62.66 ? 103 VAL A CA 1 ATOM 740 C C . VAL A 1 103 ? -23.277 55.684 35.574 1.00 64.15 ? 103 VAL A C 1 ATOM 741 O O . VAL A 1 103 ? -22.217 55.812 34.961 1.00 68.98 ? 103 VAL A O 1 ATOM 742 C CB . VAL A 1 103 ? -23.188 53.421 36.597 1.00 61.69 ? 103 VAL A CB 1 ATOM 743 C CG1 . VAL A 1 103 ? -23.026 54.117 37.941 1.00 58.49 ? 103 VAL A CG1 1 ATOM 744 C CG2 . VAL A 1 103 ? -23.898 52.098 36.775 1.00 57.80 ? 103 VAL A CG2 1 ATOM 745 N N . ASN A 1 104 ? -23.872 56.698 36.206 1.00 61.26 ? 104 ASN A N 1 ATOM 746 C CA . ASN A 1 104 ? -23.270 58.032 36.226 1.00 59.94 ? 104 ASN A CA 1 ATOM 747 C C . ASN A 1 104 ? -22.139 57.913 37.225 1.00 57.83 ? 104 ASN A C 1 ATOM 748 O O . ASN A 1 104 ? -22.358 57.921 38.436 1.00 62.18 ? 104 ASN A O 1 ATOM 749 C CB . ASN A 1 104 ? -24.278 59.113 36.650 1.00 62.14 ? 104 ASN A CB 1 ATOM 750 C CG . ASN A 1 104 ? -23.723 60.526 36.479 1.00 66.61 ? 104 ASN A CG 1 ATOM 751 O OD1 . ASN A 1 104 ? -22.723 60.720 35.785 1.00 66.50 ? 104 ASN A OD1 1 ATOM 752 N ND2 . ASN A 1 104 ? -24.379 61.511 37.098 1.00 67.42 ? 104 ASN A ND2 1 ATOM 753 N N . GLU A 1 105 ? -20.936 57.736 36.686 1.00 54.74 ? 105 GLU A N 1 ATOM 754 C CA . GLU A 1 105 ? -19.721 57.540 37.465 1.00 47.11 ? 105 GLU A CA 1 ATOM 755 C C . GLU A 1 105 ? -18.993 58.804 37.886 1.00 40.39 ? 105 GLU A C 1 ATOM 756 O O . GLU A 1 105 ? -18.916 59.776 37.146 1.00 40.69 ? 105 GLU A O 1 ATOM 757 C CB . GLU A 1 105 ? -18.769 56.636 36.676 1.00 50.72 ? 105 GLU A CB 1 ATOM 758 C CG . GLU A 1 105 ? -17.584 56.127 37.468 1.00 50.62 ? 105 GLU A CG 1 ATOM 759 C CD . GLU A 1 105 ? -16.687 55.221 36.662 1.00 51.51 ? 105 GLU A CD 1 ATOM 760 O OE1 . GLU A 1 105 ? -15.486 55.150 37.005 1.00 46.44 ? 105 GLU A OE1 1 ATOM 761 O OE2 . GLU A 1 105 ? -17.182 54.576 35.705 1.00 53.77 ? 105 GLU A OE2 1 ATOM 762 N N . THR A 1 106 ? -18.465 58.777 39.099 1.00 38.97 ? 106 THR A N 1 ATOM 763 C CA . THR A 1 106 ? -17.702 59.898 39.629 1.00 40.15 ? 106 THR A CA 1 ATOM 764 C C . THR A 1 106 ? -16.248 59.513 39.373 1.00 40.69 ? 106 THR A C 1 ATOM 765 O O . THR A 1 106 ? -15.730 58.553 39.955 1.00 40.95 ? 106 THR A O 1 ATOM 766 C CB . THR A 1 106 ? -17.941 60.060 41.127 1.00 48.59 ? 106 THR A CB 1 ATOM 767 O OG1 . THR A 1 106 ? -19.352 60.033 41.385 1.00 52.77 ? 106 THR A OG1 1 ATOM 768 C CG2 . THR A 1 106 ? -17.364 61.374 41.609 1.00 39.88 ? 106 THR A CG2 1 ATOM 769 N N . ILE A 1 107 ? -15.610 60.247 38.465 1.00 41.68 ? 107 ILE A N 1 ATOM 770 C CA . ILE A 1 107 ? -14.240 59.971 38.052 1.00 37.42 ? 107 ILE A CA 1 ATOM 771 C C . ILE A 1 107 ? -13.243 60.969 38.620 1.00 38.93 ? 107 ILE A C 1 ATOM 772 O O . ILE A 1 107 ? -13.393 62.174 38.444 1.00 40.41 ? 107 ILE A O 1 ATOM 773 C CB . ILE A 1 107 ? -14.147 59.967 36.513 1.00 38.48 ? 107 ILE A CB 1 ATOM 774 C CG1 . ILE A 1 107 ? -15.206 59.021 35.929 1.00 36.40 ? 107 ILE A CG1 1 ATOM 775 C CG2 . ILE A 1 107 ? -12.750 59.545 36.075 1.00 44.63 ? 107 ILE A CG2 1 ATOM 776 C CD1 . ILE A 1 107 ? -15.443 59.185 34.444 1.00 30.35 ? 107 ILE A CD1 1 ATOM 777 N N . LEU A 1 108 ? -12.203 60.453 39.270 1.00 37.05 ? 108 LEU A N 1 ATOM 778 C CA . LEU A 1 108 ? -11.184 61.288 39.889 1.00 37.48 ? 108 LEU A CA 1 ATOM 779 C C . LEU A 1 108 ? -9.965 61.469 39.007 1.00 35.79 ? 108 LEU A C 1 ATOM 780 O O . LEU A 1 108 ? -9.935 61.027 37.867 1.00 37.99 ? 108 LEU A O 1 ATOM 781 C CB . LEU A 1 108 ? -10.747 60.673 41.217 1.00 33.53 ? 108 LEU A CB 1 ATOM 782 C CG . LEU A 1 108 ? -11.853 60.263 42.183 1.00 32.69 ? 108 LEU A CG 1 ATOM 783 C CD1 . LEU A 1 108 ? -11.224 59.564 43.372 1.00 32.01 ? 108 LEU A CD1 1 ATOM 784 C CD2 . LEU A 1 108 ? -12.655 61.479 42.621 1.00 34.09 ? 108 LEU A CD2 1 ATOM 785 N N . THR A 1 109 ? -8.962 62.144 39.545 1.00 35.48 ? 109 THR A N 1 ATOM 786 C CA . THR A 1 109 ? -7.728 62.373 38.818 1.00 39.60 ? 109 THR A CA 1 ATOM 787 C C . THR A 1 109 ? -6.784 61.215 39.087 1.00 38.90 ? 109 THR A C 1 ATOM 788 O O . THR A 1 109 ? -6.932 60.491 40.067 1.00 40.36 ? 109 THR A O 1 ATOM 789 C CB . THR A 1 109 ? -7.026 63.658 39.279 1.00 40.13 ? 109 THR A CB 1 ATOM 790 O OG1 . THR A 1 109 ? -6.716 63.557 40.676 1.00 46.98 ? 109 THR A OG1 1 ATOM 791 C CG2 . THR A 1 109 ? -7.909 64.856 39.038 1.00 36.07 ? 109 THR A CG2 1 ATOM 792 N N . PHE A 1 110 ? -5.789 61.075 38.226 1.00 37.34 ? 110 PHE A N 1 ATOM 793 C CA . PHE A 1 110 ? -4.814 60.021 38.365 1.00 34.66 ? 110 PHE A CA 1 ATOM 794 C C . PHE A 1 110 ? -4.169 60.039 39.760 1.00 33.89 ? 110 PHE A C 1 ATOM 795 O O . PHE A 1 110 ? -4.228 59.042 40.472 1.00 37.32 ? 110 PHE A O 1 ATOM 796 C CB . PHE A 1 110 ? -3.768 60.139 37.252 1.00 34.19 ? 110 PHE A CB 1 ATOM 797 C CG . PHE A 1 110 ? -2.698 59.092 37.309 1.00 33.36 ? 110 PHE A CG 1 ATOM 798 C CD1 . PHE A 1 110 ? -2.932 57.817 36.820 1.00 29.58 ? 110 PHE A CD1 1 ATOM 799 C CD2 . PHE A 1 110 ? -1.451 59.385 37.846 1.00 29.30 ? 110 PHE A CD2 1 ATOM 800 C CE1 . PHE A 1 110 ? -1.940 56.854 36.867 1.00 32.00 ? 110 PHE A CE1 1 ATOM 801 C CE2 . PHE A 1 110 ? -0.458 58.424 37.895 1.00 31.48 ? 110 PHE A CE2 1 ATOM 802 C CZ . PHE A 1 110 ? -0.701 57.159 37.407 1.00 28.62 ? 110 PHE A CZ 1 ATOM 803 N N . PRO A 1 111 ? -3.609 61.183 40.196 1.00 34.01 ? 111 PRO A N 1 ATOM 804 C CA . PRO A 1 111 ? -2.990 61.204 41.523 1.00 30.36 ? 111 PRO A CA 1 ATOM 805 C C . PRO A 1 111 ? -3.954 60.849 42.642 1.00 32.32 ? 111 PRO A C 1 ATOM 806 O O . PRO A 1 111 ? -3.579 60.145 43.582 1.00 38.27 ? 111 PRO A O 1 ATOM 807 C CB . PRO A 1 111 ? -2.503 62.641 41.641 1.00 33.89 ? 111 PRO A CB 1 ATOM 808 C CG . PRO A 1 111 ? -2.161 62.978 40.250 1.00 30.50 ? 111 PRO A CG 1 ATOM 809 C CD . PRO A 1 111 ? -3.368 62.463 39.511 1.00 31.68 ? 111 PRO A CD 1 ATOM 810 N N . ALA A 1 112 ? -5.198 61.310 42.525 1.00 31.96 ? 112 ALA A N 1 ATOM 811 C CA . ALA A 1 112 ? -6.219 61.042 43.536 1.00 31.81 ? 112 ALA A CA 1 ATOM 812 C C . ALA A 1 112 ? -6.450 59.539 43.710 1.00 35.54 ? 112 ALA A C 1 ATOM 813 O O . ALA A 1 112 ? -6.534 59.048 44.835 1.00 38.85 ? 112 ALA A O 1 ATOM 814 C CB . ALA A 1 112 ? -7.516 61.746 43.173 1.00 35.02 ? 112 ALA A CB 1 ATOM 815 N N . TYR A 1 113 ? -6.545 58.810 42.599 1.00 34.29 ? 113 TYR A N 1 ATOM 816 C CA . TYR A 1 113 ? -6.752 57.365 42.651 1.00 33.17 ? 113 TYR A CA 1 ATOM 817 C C . TYR A 1 113 ? -5.601 56.666 43.368 1.00 35.27 ? 113 TYR A C 1 ATOM 818 O O . TYR A 1 113 ? -5.828 55.810 44.220 1.00 36.56 ? 113 TYR A O 1 ATOM 819 C CB . TYR A 1 113 ? -6.903 56.792 41.242 1.00 34.97 ? 113 TYR A CB 1 ATOM 820 C CG . TYR A 1 113 ? -8.285 56.945 40.657 1.00 33.31 ? 113 TYR A CG 1 ATOM 821 C CD1 . TYR A 1 113 ? -8.482 57.581 39.437 1.00 31.69 ? 113 TYR A CD1 1 ATOM 822 C CD2 . TYR A 1 113 ? -9.399 56.453 41.332 1.00 31.97 ? 113 TYR A CD2 1 ATOM 823 C CE1 . TYR A 1 113 ? -9.766 57.725 38.901 1.00 38.12 ? 113 TYR A CE1 1 ATOM 824 C CE2 . TYR A 1 113 ? -10.680 56.589 40.811 1.00 34.75 ? 113 TYR A CE2 1 ATOM 825 C CZ . TYR A 1 113 ? -10.863 57.227 39.596 1.00 39.74 ? 113 TYR A CZ 1 ATOM 826 O OH . TYR A 1 113 ? -12.142 57.369 39.093 1.00 37.41 ? 113 TYR A OH 1 ATOM 827 N N . LEU A 1 114 ? -4.369 57.038 43.021 1.00 30.40 ? 114 LEU A N 1 ATOM 828 C CA . LEU A 1 114 ? -3.186 56.452 43.635 1.00 33.17 ? 114 LEU A CA 1 ATOM 829 C C . LEU A 1 114 ? -3.067 56.825 45.104 1.00 38.10 ? 114 LEU A C 1 ATOM 830 O O . LEU A 1 114 ? -2.646 56.004 45.917 1.00 41.31 ? 114 LEU A O 1 ATOM 831 C CB . LEU A 1 114 ? -1.925 56.898 42.914 1.00 31.24 ? 114 LEU A CB 1 ATOM 832 C CG . LEU A 1 114 ? -1.808 56.482 41.457 1.00 38.03 ? 114 LEU A CG 1 ATOM 833 C CD1 . LEU A 1 114 ? -0.440 56.861 40.954 1.00 39.02 ? 114 LEU A CD1 1 ATOM 834 C CD2 . LEU A 1 114 ? -2.021 54.996 41.314 1.00 38.55 ? 114 LEU A CD2 1 ATOM 835 N N . GLU A 1 115 ? -3.414 58.069 45.442 1.00 40.78 ? 115 GLU A N 1 ATOM 836 C CA . GLU A 1 115 ? -3.346 58.539 46.823 1.00 39.50 ? 115 GLU A CA 1 ATOM 837 C C . GLU A 1 115 ? -4.320 57.792 47.731 1.00 41.77 ? 115 GLU A C 1 ATOM 838 O O . GLU A 1 115 ? -3.947 57.369 48.824 1.00 40.92 ? 115 GLU A O 1 ATOM 839 C CB . GLU A 1 115 ? -3.584 60.042 46.878 1.00 35.91 ? 115 GLU A CB 1 ATOM 840 C CG . GLU A 1 115 ? -2.451 60.827 46.240 1.00 40.55 ? 115 GLU A CG 1 ATOM 841 C CD . GLU A 1 115 ? -2.834 62.241 45.858 1.00 43.21 ? 115 GLU A CD 1 ATOM 842 O OE1 . GLU A 1 115 ? -3.894 62.736 46.303 1.00 44.02 ? 115 GLU A OE1 1 ATOM 843 O OE2 . GLU A 1 115 ? -2.067 62.865 45.100 1.00 44.28 ? 115 GLU A OE2 1 ATOM 844 N N . ASN A 1 116 ? -5.546 57.584 47.254 1.00 40.93 ? 116 ASN A N 1 ATOM 845 C CA . ASN A 1 116 ? -6.567 56.864 48.016 1.00 41.87 ? 116 ASN A CA 1 ATOM 846 C C . ASN A 1 116 ? -6.137 55.427 48.264 1.00 41.58 ? 116 ASN A C 1 ATOM 847 O O . ASN A 1 116 ? -6.283 54.913 49.369 1.00 45.63 ? 116 ASN A O 1 ATOM 848 C CB . ASN A 1 116 ? -7.909 56.879 47.281 1.00 49.20 ? 116 ASN A CB 1 ATOM 849 C CG . ASN A 1 116 ? -8.556 58.252 47.268 1.00 53.97 ? 116 ASN A CG 1 ATOM 850 O OD1 . ASN A 1 116 ? -8.168 59.146 48.022 1.00 53.76 ? 116 ASN A OD1 1 ATOM 851 N ND2 . ASN A 1 116 ? -9.552 58.424 46.409 1.00 56.96 ? 116 ASN A ND2 1 ATOM 852 N N . ALA A 1 117 ? -5.603 54.785 47.229 1.00 41.50 ? 117 ALA A N 1 ATOM 853 C CA . ALA A 1 117 ? -5.128 53.412 47.348 1.00 42.33 ? 117 ALA A CA 1 ATOM 854 C C . ALA A 1 117 ? -3.981 53.358 48.359 1.00 44.10 ? 117 ALA A C 1 ATOM 855 O O . ALA A 1 117 ? -3.992 52.532 49.270 1.00 44.25 ? 117 ALA A O 1 ATOM 856 C CB . ALA A 1 117 ? -4.668 52.898 45.999 1.00 36.14 ? 117 ALA A CB 1 ATOM 857 N N . ALA A 1 118 ? -3.027 54.278 48.229 1.00 41.00 ? 118 ALA A N 1 ATOM 858 C CA . ALA A 1 118 ? -1.888 54.330 49.135 1.00 46.24 ? 118 ALA A CA 1 ATOM 859 C C . ALA A 1 118 ? -2.335 54.426 50.604 1.00 51.28 ? 118 ALA A C 1 ATOM 860 O O . ALA A 1 118 ? -1.860 53.662 51.449 1.00 52.94 ? 118 ALA A O 1 ATOM 861 C CB . ALA A 1 118 ? -0.979 55.495 48.772 1.00 43.58 ? 118 ALA A CB 1 ATOM 862 N N . LYS A 1 119 ? -3.265 55.339 50.895 1.00 54.51 ? 119 LYS A N 1 ATOM 863 C CA . LYS A 1 119 ? -3.788 55.521 52.252 1.00 54.58 ? 119 LYS A CA 1 ATOM 864 C C . LYS A 1 119 ? -4.440 54.242 52.764 1.00 52.48 ? 119 LYS A C 1 ATOM 865 O O . LYS A 1 119 ? -4.279 53.872 53.923 1.00 51.38 ? 119 LYS A O 1 ATOM 866 C CB . LYS A 1 119 ? -4.822 56.652 52.295 1.00 56.91 ? 119 LYS A CB 1 ATOM 867 C CG . LYS A 1 119 ? -4.258 58.069 52.208 1.00 67.07 ? 119 LYS A CG 1 ATOM 868 C CD . LYS A 1 119 ? -5.386 59.095 52.336 1.00 72.84 ? 119 LYS A CD 1 ATOM 869 C CE . LYS A 1 119 ? -4.878 60.527 52.260 1.00 75.45 ? 119 LYS A CE 1 ATOM 870 N NZ . LYS A 1 119 ? -6.005 61.491 52.437 1.00 73.90 ? 119 LYS A NZ 1 ATOM 871 N N . LEU A 1 120 ? -5.157 53.562 51.879 1.00 49.14 ? 120 LEU A N 1 ATOM 872 C CA . LEU A 1 120 ? -5.850 52.329 52.225 1.00 50.57 ? 120 LEU A CA 1 ATOM 873 C C . LEU A 1 120 ? -4.876 51.229 52.637 1.00 52.85 ? 120 LEU A C 1 ATOM 874 O O . LEU A 1 120 ? -5.136 50.483 53.576 1.00 55.90 ? 120 LEU A O 1 ATOM 875 C CB . LEU A 1 120 ? -6.693 51.849 51.044 1.00 49.50 ? 120 LEU A CB 1 ATOM 876 C CG . LEU A 1 120 ? -7.993 51.079 51.299 1.00 52.27 ? 120 LEU A CG 1 ATOM 877 C CD1 . LEU A 1 120 ? -8.036 49.889 50.379 1.00 48.94 ? 120 LEU A CD1 1 ATOM 878 C CD2 . LEU A 1 120 ? -8.129 50.628 52.740 1.00 55.32 ? 120 LEU A CD2 1 ATOM 879 N N . PHE A 1 121 ? -3.761 51.123 51.925 1.00 52.68 ? 121 PHE A N 1 ATOM 880 C CA . PHE A 1 121 ? -2.769 50.102 52.234 1.00 49.47 ? 121 PHE A CA 1 ATOM 881 C C . PHE A 1 121 ? -1.947 50.469 53.460 1.00 49.02 ? 121 PHE A C 1 ATOM 882 O O . PHE A 1 121 ? -1.555 49.596 54.231 1.00 44.27 ? 121 PHE A O 1 ATOM 883 C CB . PHE A 1 121 ? -1.846 49.867 51.041 1.00 46.84 ? 121 PHE A CB 1 ATOM 884 C CG . PHE A 1 121 ? -2.550 49.353 49.813 1.00 46.37 ? 121 PHE A CG 1 ATOM 885 C CD1 . PHE A 1 121 ? -2.237 49.867 48.560 1.00 45.36 ? 121 PHE A CD1 1 ATOM 886 C CD2 . PHE A 1 121 ? -3.519 48.354 49.907 1.00 45.56 ? 121 PHE A CD2 1 ATOM 887 C CE1 . PHE A 1 121 ? -2.880 49.395 47.419 1.00 47.86 ? 121 PHE A CE1 1 ATOM 888 C CE2 . PHE A 1 121 ? -4.170 47.874 48.767 1.00 43.74 ? 121 PHE A CE2 1 ATOM 889 C CZ . PHE A 1 121 ? -3.853 48.393 47.524 1.00 45.65 ? 121 PHE A CZ 1 ATOM 890 N N . THR A 1 122 ? -1.676 51.759 53.632 1.00 46.53 ? 122 THR A N 1 ATOM 891 C CA . THR A 1 122 ? -0.907 52.222 54.776 1.00 46.90 ? 122 THR A CA 1 ATOM 892 C C . THR A 1 122 ? -1.697 51.939 56.056 1.00 50.21 ? 122 THR A C 1 ATOM 893 O O . THR A 1 122 ? -1.135 51.524 57.079 1.00 50.00 ? 122 THR A O 1 ATOM 894 C CB . THR A 1 122 ? -0.588 53.720 54.654 1.00 46.11 ? 122 THR A CB 1 ATOM 895 O OG1 . THR A 1 122 ? 0.243 53.929 53.510 1.00 51.30 ? 122 THR A OG1 1 ATOM 896 C CG2 . THR A 1 122 ? 0.164 54.207 55.870 1.00 50.91 ? 122 THR A CG2 1 ATOM 897 N N . ALA A 1 123 ? -3.011 52.113 55.966 1.00 51.64 ? 123 ALA A N 1 ATOM 898 C CA . ALA A 1 123 ? -3.905 51.870 57.089 1.00 52.13 ? 123 ALA A CA 1 ATOM 899 C C . ALA A 1 123 ? -3.807 50.424 57.577 1.00 52.60 ? 123 ALA A C 1 ATOM 900 O O . ALA A 1 123 ? -3.998 50.158 58.762 1.00 55.84 ? 123 ALA A O 1 ATOM 901 C CB . ALA A 1 123 ? -5.334 52.194 56.700 1.00 50.24 ? 123 ALA A CB 1 ATOM 902 N N . LYS A 1 124 ? -3.536 49.494 56.662 1.00 49.23 ? 124 LYS A N 1 ATOM 903 C CA . LYS A 1 124 ? -3.392 48.074 57.014 1.00 49.26 ? 124 LYS A CA 1 ATOM 904 C C . LYS A 1 124 ? -1.975 47.671 57.420 1.00 51.05 ? 124 LYS A C 1 ATOM 905 O O . LYS A 1 124 ? -1.692 46.483 57.580 1.00 50.17 ? 124 LYS A O 1 ATOM 906 C CB . LYS A 1 124 ? -3.842 47.165 55.876 1.00 51.76 ? 124 LYS A CB 1 ATOM 907 C CG . LYS A 1 124 ? -5.282 46.757 55.950 1.00 53.45 ? 124 LYS A CG 1 ATOM 908 C CD . LYS A 1 124 ? -6.145 47.724 55.192 1.00 61.06 ? 124 LYS A CD 1 ATOM 909 C CE . LYS A 1 124 ? -7.618 47.462 55.461 1.00 68.22 ? 124 LYS A CE 1 ATOM 910 N NZ . LYS A 1 124 ? -7.995 46.027 55.293 1.00 71.26 ? 124 LYS A NZ 1 ATOM 911 N N . GLY A 1 125 ? -1.093 48.659 57.570 1.00 55.75 ? 125 GLY A N 1 ATOM 912 C CA . GLY A 1 125 ? 0.281 48.390 57.968 1.00 61.24 ? 125 GLY A CA 1 ATOM 913 C C . GLY A 1 125 ? 1.238 47.960 56.871 1.00 62.78 ? 125 GLY A C 1 ATOM 914 O O . GLY A 1 125 ? 2.386 47.585 57.152 1.00 65.39 ? 125 GLY A O 1 ATOM 915 N N . ALA A 1 126 ? 0.759 47.975 55.631 1.00 59.04 ? 126 ALA A N 1 ATOM 916 C CA . ALA A 1 126 ? 1.583 47.593 54.496 1.00 51.94 ? 126 ALA A CA 1 ATOM 917 C C . ALA A 1 126 ? 2.440 48.765 54.020 1.00 50.29 ? 126 ALA A C 1 ATOM 918 O O . ALA A 1 126 ? 2.094 49.931 54.241 1.00 43.23 ? 126 ALA A O 1 ATOM 919 C CB . ALA A 1 126 ? 0.714 47.092 53.383 1.00 51.70 ? 126 ALA A CB 1 ATOM 920 N N . LYS A 1 127 ? 3.586 48.442 53.421 1.00 50.16 ? 127 LYS A N 1 ATOM 921 C CA . LYS A 1 127 ? 4.517 49.446 52.900 1.00 54.41 ? 127 LYS A CA 1 ATOM 922 C C . LYS A 1 127 ? 4.235 49.672 51.407 1.00 53.18 ? 127 LYS A C 1 ATOM 923 O O . LYS A 1 127 ? 4.374 48.757 50.590 1.00 54.81 ? 127 LYS A O 1 ATOM 924 C CB . LYS A 1 127 ? 5.967 48.997 53.133 1.00 57.78 ? 127 LYS A CB 1 ATOM 925 C CG . LYS A 1 127 ? 6.192 48.360 54.514 1.00 68.14 ? 127 LYS A CG 1 ATOM 926 C CD . LYS A 1 127 ? 7.642 48.416 54.987 1.00 68.79 ? 127 LYS A CD 1 ATOM 927 C CE . LYS A 1 127 ? 7.989 49.793 55.546 1.00 72.45 ? 127 LYS A CE 1 ATOM 928 N NZ . LYS A 1 127 ? 9.418 49.914 55.990 1.00 75.41 ? 127 LYS A NZ 1 ATOM 929 N N . VAL A 1 128 ? 3.823 50.893 51.067 1.00 50.77 ? 128 VAL A N 1 ATOM 930 C CA . VAL A 1 128 ? 3.469 51.250 49.691 1.00 44.42 ? 128 VAL A CA 1 ATOM 931 C C . VAL A 1 128 ? 4.561 51.911 48.860 1.00 44.06 ? 128 VAL A C 1 ATOM 932 O O . VAL A 1 128 ? 5.223 52.854 49.299 1.00 43.96 ? 128 VAL A O 1 ATOM 933 C CB . VAL A 1 128 ? 2.208 52.155 49.654 1.00 42.58 ? 128 VAL A CB 1 ATOM 934 C CG1 . VAL A 1 128 ? 1.780 52.431 48.218 1.00 35.41 ? 128 VAL A CG1 1 ATOM 935 C CG2 . VAL A 1 128 ? 1.071 51.501 50.418 1.00 38.00 ? 128 VAL A CG2 1 ATOM 936 N N . ILE A 1 129 ? 4.697 51.419 47.633 1.00 42.89 ? 129 ILE A N 1 ATOM 937 C CA . ILE A 1 129 ? 5.664 51.924 46.668 1.00 37.92 ? 129 ILE A CA 1 ATOM 938 C C . ILE A 1 129 ? 4.946 52.235 45.354 1.00 36.83 ? 129 ILE A C 1 ATOM 939 O O . ILE A 1 129 ? 4.434 51.334 44.692 1.00 36.31 ? 129 ILE A O 1 ATOM 940 C CB . ILE A 1 129 ? 6.748 50.878 46.377 1.00 36.26 ? 129 ILE A CB 1 ATOM 941 C CG1 . ILE A 1 129 ? 7.433 50.464 47.673 1.00 35.41 ? 129 ILE A CG1 1 ATOM 942 C CG2 . ILE A 1 129 ? 7.773 51.431 45.393 1.00 34.21 ? 129 ILE A CG2 1 ATOM 943 C CD1 . ILE A 1 129 ? 8.400 49.337 47.484 1.00 36.76 ? 129 ILE A CD1 1 ATOM 944 N N . LEU A 1 130 ? 4.854 53.518 45.022 1.00 33.15 ? 130 LEU A N 1 ATOM 945 C CA . LEU A 1 130 ? 4.235 53.955 43.772 1.00 35.90 ? 130 LEU A CA 1 ATOM 946 C C . LEU A 1 130 ? 5.365 54.049 42.755 1.00 35.87 ? 130 LEU A C 1 ATOM 947 O O . LEU A 1 130 ? 6.420 54.610 43.038 1.00 43.09 ? 130 LEU A O 1 ATOM 948 C CB . LEU A 1 130 ? 3.559 55.323 43.937 1.00 35.39 ? 130 LEU A CB 1 ATOM 949 C CG . LEU A 1 130 ? 2.450 55.409 44.989 1.00 32.75 ? 130 LEU A CG 1 ATOM 950 C CD1 . LEU A 1 130 ? 1.758 56.744 44.902 1.00 29.77 ? 130 LEU A CD1 1 ATOM 951 C CD2 . LEU A 1 130 ? 1.459 54.297 44.772 1.00 34.24 ? 130 LEU A CD2 1 ATOM 952 N N . SER A 1 131 ? 5.147 53.504 41.569 1.00 36.06 ? 131 SER A N 1 ATOM 953 C CA . SER A 1 131 ? 6.172 53.500 40.536 1.00 34.35 ? 131 SER A CA 1 ATOM 954 C C . SER A 1 131 ? 5.685 54.140 39.247 1.00 33.60 ? 131 SER A C 1 ATOM 955 O O . SER A 1 131 ? 4.524 53.981 38.869 1.00 32.77 ? 131 SER A O 1 ATOM 956 C CB . SER A 1 131 ? 6.593 52.054 40.282 1.00 33.24 ? 131 SER A CB 1 ATOM 957 O OG . SER A 1 131 ? 7.559 51.955 39.262 1.00 37.04 ? 131 SER A OG 1 ATOM 958 N N . SER A 1 132 ? 6.563 54.899 38.599 1.00 30.11 ? 132 SER A N 1 ATOM 959 C CA . SER A 1 132 ? 6.222 55.544 37.337 1.00 33.11 ? 132 SER A CA 1 ATOM 960 C C . SER A 1 132 ? 6.108 54.471 36.248 1.00 37.21 ? 132 SER A C 1 ATOM 961 O O . SER A 1 132 ? 6.780 53.431 36.315 1.00 39.35 ? 132 SER A O 1 ATOM 962 C CB . SER A 1 132 ? 7.269 56.597 36.970 1.00 30.46 ? 132 SER A CB 1 ATOM 963 O OG . SER A 1 132 ? 8.579 56.062 36.987 1.00 34.68 ? 132 SER A OG 1 ATOM 964 N N . GLN A 1 133 ? 5.235 54.710 35.269 1.00 33.71 ? 133 GLN A N 1 ATOM 965 C CA . GLN A 1 133 ? 5.004 53.759 34.186 1.00 32.13 ? 133 GLN A CA 1 ATOM 966 C C . GLN A 1 133 ? 6.251 53.499 33.373 1.00 30.64 ? 133 GLN A C 1 ATOM 967 O O . GLN A 1 133 ? 7.167 54.318 33.353 1.00 30.72 ? 133 GLN A O 1 ATOM 968 C CB . GLN A 1 133 ? 3.908 54.269 33.250 1.00 35.16 ? 133 GLN A CB 1 ATOM 969 C CG . GLN A 1 133 ? 4.240 55.587 32.566 1.00 32.89 ? 133 GLN A CG 1 ATOM 970 C CD . GLN A 1 133 ? 3.409 55.825 31.326 1.00 32.63 ? 133 GLN A CD 1 ATOM 971 O OE1 . GLN A 1 133 ? 3.671 55.240 30.278 1.00 36.72 ? 133 GLN A OE1 1 ATOM 972 N NE2 . GLN A 1 133 ? 2.404 56.685 31.433 1.00 30.96 ? 133 GLN A NE2 1 ATOM 973 N N . THR A 1 134 ? 6.280 52.346 32.708 1.00 30.41 ? 134 THR A N 1 ATOM 974 C CA . THR A 1 134 ? 7.404 51.983 31.861 1.00 33.20 ? 134 THR A CA 1 ATOM 975 C C . THR A 1 134 ? 7.225 52.731 30.538 1.00 36.19 ? 134 THR A C 1 ATOM 976 O O . THR A 1 134 ? 6.108 53.125 30.176 1.00 36.01 ? 134 THR A O 1 ATOM 977 C CB . THR A 1 134 ? 7.435 50.469 31.587 1.00 33.51 ? 134 THR A CB 1 ATOM 978 O OG1 . THR A 1 134 ? 6.251 50.092 30.881 1.00 38.49 ? 134 THR A OG1 1 ATOM 979 C CG2 . THR A 1 134 ? 7.491 49.693 32.885 1.00 29.87 ? 134 THR A CG2 1 ATOM 980 N N . PRO A 1 135 ? 8.324 52.966 29.810 1.00 36.03 ? 135 PRO A N 1 ATOM 981 C CA . PRO A 1 135 ? 8.230 53.676 28.532 1.00 35.11 ? 135 PRO A CA 1 ATOM 982 C C . PRO A 1 135 ? 7.879 52.799 27.344 1.00 34.54 ? 135 PRO A C 1 ATOM 983 O O . PRO A 1 135 ? 8.146 51.595 27.348 1.00 36.29 ? 135 PRO A O 1 ATOM 984 C CB . PRO A 1 135 ? 9.635 54.243 28.365 1.00 33.98 ? 135 PRO A CB 1 ATOM 985 C CG . PRO A 1 135 ? 10.482 53.177 28.972 1.00 37.14 ? 135 PRO A CG 1 ATOM 986 C CD . PRO A 1 135 ? 9.731 52.799 30.221 1.00 33.62 ? 135 PRO A CD 1 ATOM 987 N N . ASN A 1 136 ? 7.239 53.402 26.347 1.00 34.27 ? 136 ASN A N 1 ATOM 988 C CA . ASN A 1 136 ? 6.917 52.691 25.111 1.00 33.55 ? 136 ASN A CA 1 ATOM 989 C C . ASN A 1 136 ? 8.238 52.709 24.353 1.00 31.10 ? 136 ASN A C 1 ATOM 990 O O . ASN A 1 136 ? 9.094 53.543 24.633 1.00 35.38 ? 136 ASN A O 1 ATOM 991 C CB . ASN A 1 136 ? 5.835 53.421 24.301 1.00 34.11 ? 136 ASN A CB 1 ATOM 992 C CG . ASN A 1 136 ? 4.416 53.074 24.752 1.00 37.96 ? 136 ASN A CG 1 ATOM 993 O OD1 . ASN A 1 136 ? 4.161 52.001 25.295 1.00 38.21 ? 136 ASN A OD1 1 ATOM 994 N ND2 . ASN A 1 136 ? 3.484 53.978 24.501 1.00 38.59 ? 136 ASN A ND2 1 ATOM 995 N N . ASN A 1 137 ? 8.409 51.777 23.424 1.00 32.17 ? 137 ASN A N 1 ATOM 996 C CA . ASN A 1 137 ? 9.630 51.666 22.624 1.00 37.04 ? 137 ASN A CA 1 ATOM 997 C C . ASN A 1 137 ? 10.200 53.021 22.181 1.00 38.39 ? 137 ASN A C 1 ATOM 998 O O . ASN A 1 137 ? 9.673 53.660 21.267 1.00 43.77 ? 137 ASN A O 1 ATOM 999 C CB . ASN A 1 137 ? 9.339 50.794 21.406 1.00 37.58 ? 137 ASN A CB 1 ATOM 1000 C CG . ASN A 1 137 ? 10.568 50.500 20.588 1.00 41.70 ? 137 ASN A CG 1 ATOM 1001 O OD1 . ASN A 1 137 ? 10.469 49.968 19.480 1.00 45.35 ? 137 ASN A OD1 1 ATOM 1002 N ND2 . ASN A 1 137 ? 11.737 50.837 21.123 1.00 38.52 ? 137 ASN A ND2 1 ATOM 1003 N N . PRO A 1 138 ? 11.284 53.477 22.834 1.00 37.84 ? 138 PRO A N 1 ATOM 1004 C CA . PRO A 1 138 ? 11.909 54.763 22.496 1.00 35.56 ? 138 PRO A CA 1 ATOM 1005 C C . PRO A 1 138 ? 12.732 54.737 21.208 1.00 35.57 ? 138 PRO A C 1 ATOM 1006 O O . PRO A 1 138 ? 13.018 55.783 20.620 1.00 39.04 ? 138 PRO A O 1 ATOM 1007 C CB . PRO A 1 138 ? 12.765 55.050 23.726 1.00 35.02 ? 138 PRO A CB 1 ATOM 1008 C CG . PRO A 1 138 ? 13.206 53.674 24.143 1.00 30.90 ? 138 PRO A CG 1 ATOM 1009 C CD . PRO A 1 138 ? 11.932 52.868 24.012 1.00 32.41 ? 138 PRO A CD 1 ATOM 1010 N N . TRP A 1 139 ? 13.087 53.529 20.773 1.00 35.73 ? 139 TRP A N 1 ATOM 1011 C CA . TRP A 1 139 ? 13.868 53.319 19.556 1.00 39.86 ? 139 TRP A CA 1 ATOM 1012 C C . TRP A 1 139 ? 12.956 52.970 18.389 1.00 43.34 ? 139 TRP A C 1 ATOM 1013 O O . TRP A 1 139 ? 13.405 52.437 17.373 1.00 42.61 ? 139 TRP A O 1 ATOM 1014 C CB . TRP A 1 139 ? 14.860 52.176 19.752 1.00 33.43 ? 139 TRP A CB 1 ATOM 1015 C CG . TRP A 1 139 ? 16.040 52.518 20.572 1.00 36.28 ? 139 TRP A CG 1 ATOM 1016 C CD1 . TRP A 1 139 ? 16.255 52.179 21.870 1.00 36.31 ? 139 TRP A CD1 1 ATOM 1017 C CD2 . TRP A 1 139 ? 17.209 53.222 20.139 1.00 37.37 ? 139 TRP A CD2 1 ATOM 1018 N NE1 . TRP A 1 139 ? 17.491 52.620 22.278 1.00 40.28 ? 139 TRP A NE1 1 ATOM 1019 C CE2 . TRP A 1 139 ? 18.100 53.263 21.235 1.00 37.62 ? 139 TRP A CE2 1 ATOM 1020 C CE3 . TRP A 1 139 ? 17.593 53.815 18.930 1.00 35.94 ? 139 TRP A CE3 1 ATOM 1021 C CZ2 . TRP A 1 139 ? 19.351 53.875 21.164 1.00 35.16 ? 139 TRP A CZ2 1 ATOM 1022 C CZ3 . TRP A 1 139 ? 18.842 54.427 18.856 1.00 42.55 ? 139 TRP A CZ3 1 ATOM 1023 C CH2 . TRP A 1 139 ? 19.708 54.450 19.971 1.00 38.49 ? 139 TRP A CH2 1 ATOM 1024 N N . GLU A 1 140 ? 11.670 53.248 18.546 1.00 46.27 ? 140 GLU A N 1 ATOM 1025 C CA . GLU A 1 140 ? 10.684 52.951 17.518 1.00 47.91 ? 140 GLU A CA 1 ATOM 1026 C C . GLU A 1 140 ? 10.955 53.663 16.199 1.00 50.17 ? 140 GLU A C 1 ATOM 1027 O O . GLU A 1 140 ? 10.777 53.084 15.129 1.00 42.99 ? 140 GLU A O 1 ATOM 1028 C CB . GLU A 1 140 ? 9.304 53.332 18.025 1.00 48.79 ? 140 GLU A CB 1 ATOM 1029 C CG . GLU A 1 140 ? 8.187 52.992 17.084 1.00 49.09 ? 140 GLU A CG 1 ATOM 1030 C CD . GLU A 1 140 ? 6.841 53.240 17.701 1.00 51.33 ? 140 GLU A CD 1 ATOM 1031 O OE1 . GLU A 1 140 ? 6.766 54.015 18.680 1.00 50.72 ? 140 GLU A OE1 1 ATOM 1032 O OE2 . GLU A 1 140 ? 5.857 52.647 17.214 1.00 57.58 ? 140 GLU A OE2 1 ATOM 1033 N N . THR A 1 141 ? 11.380 54.919 16.283 1.00 50.18 ? 141 THR A N 1 ATOM 1034 C CA . THR A 1 141 ? 11.662 55.706 15.093 1.00 49.15 ? 141 THR A CA 1 ATOM 1035 C C . THR A 1 141 ? 13.083 55.529 14.570 1.00 52.74 ? 141 THR A C 1 ATOM 1036 O O . THR A 1 141 ? 13.520 56.295 13.720 1.00 57.00 ? 141 THR A O 1 ATOM 1037 C CB . THR A 1 141 ? 11.414 57.210 15.349 1.00 47.82 ? 141 THR A CB 1 ATOM 1038 O OG1 . THR A 1 141 ? 12.305 57.687 16.360 1.00 49.85 ? 141 THR A OG1 1 ATOM 1039 C CG2 . THR A 1 141 ? 10.001 57.435 15.807 1.00 50.77 ? 141 THR A CG2 1 ATOM 1040 N N . GLY A 1 142 ? 13.803 54.523 15.062 1.00 53.82 ? 142 GLY A N 1 ATOM 1041 C CA . GLY A 1 142 ? 15.176 54.319 14.617 1.00 51.50 ? 142 GLY A CA 1 ATOM 1042 C C . GLY A 1 142 ? 16.173 55.189 15.372 1.00 50.83 ? 142 GLY A C 1 ATOM 1043 O O . GLY A 1 142 ? 17.385 54.960 15.315 1.00 49.63 ? 142 GLY A O 1 ATOM 1044 N N . THR A 1 143 ? 15.661 56.220 16.038 1.00 48.69 ? 143 THR A N 1 ATOM 1045 C CA . THR A 1 143 ? 16.480 57.123 16.836 1.00 50.81 ? 143 THR A CA 1 ATOM 1046 C C . THR A 1 143 ? 15.898 57.143 18.262 1.00 47.81 ? 143 THR A C 1 ATOM 1047 O O . THR A 1 143 ? 14.686 56.986 18.449 1.00 49.60 ? 143 THR A O 1 ATOM 1048 C CB . THR A 1 143 ? 16.548 58.558 16.203 1.00 56.36 ? 143 THR A CB 1 ATOM 1049 O OG1 . THR A 1 143 ? 17.427 59.381 16.975 1.00 66.02 ? 143 THR A OG1 1 ATOM 1050 C CG2 . THR A 1 143 ? 15.177 59.222 16.144 1.00 64.74 ? 143 THR A CG2 1 ATOM 1051 N N . PHE A 1 144 ? 16.766 57.272 19.265 1.00 43.57 ? 144 PHE A N 1 ATOM 1052 C CA . PHE A 1 144 ? 16.322 57.281 20.656 1.00 40.16 ? 144 PHE A CA 1 ATOM 1053 C C . PHE A 1 144 ? 15.620 58.564 21.064 1.00 42.03 ? 144 PHE A C 1 ATOM 1054 O O . PHE A 1 144 ? 16.224 59.636 21.045 1.00 41.86 ? 144 PHE A O 1 ATOM 1055 C CB . PHE A 1 144 ? 17.492 57.035 21.608 1.00 38.99 ? 144 PHE A CB 1 ATOM 1056 C CG . PHE A 1 144 ? 17.083 56.967 23.059 1.00 33.33 ? 144 PHE A CG 1 ATOM 1057 C CD1 . PHE A 1 144 ? 16.609 55.779 23.605 1.00 29.35 ? 144 PHE A CD1 1 ATOM 1058 C CD2 . PHE A 1 144 ? 17.124 58.101 23.864 1.00 34.38 ? 144 PHE A CD2 1 ATOM 1059 C CE1 . PHE A 1 144 ? 16.179 55.719 24.918 1.00 33.53 ? 144 PHE A CE1 1 ATOM 1060 C CE2 . PHE A 1 144 ? 16.692 58.053 25.189 1.00 35.63 ? 144 PHE A CE2 1 ATOM 1061 C CZ . PHE A 1 144 ? 16.219 56.860 25.717 1.00 35.82 ? 144 PHE A CZ 1 ATOM 1062 N N . VAL A 1 145 ? 14.365 58.442 21.493 1.00 45.47 ? 145 VAL A N 1 ATOM 1063 C CA . VAL A 1 145 ? 13.587 59.598 21.925 1.00 49.11 ? 145 VAL A CA 1 ATOM 1064 C C . VAL A 1 145 ? 13.100 59.425 23.352 1.00 50.92 ? 145 VAL A C 1 ATOM 1065 O O . VAL A 1 145 ? 12.435 58.441 23.676 1.00 54.07 ? 145 VAL A O 1 ATOM 1066 C CB . VAL A 1 145 ? 12.355 59.845 21.016 1.00 49.84 ? 145 VAL A CB 1 ATOM 1067 C CG1 . VAL A 1 145 ? 11.536 61.028 21.539 1.00 43.96 ? 145 VAL A CG1 1 ATOM 1068 C CG2 . VAL A 1 145 ? 12.801 60.104 19.587 1.00 48.17 ? 145 VAL A CG2 1 ATOM 1069 N N . ASN A 1 146 ? 13.435 60.392 24.197 1.00 52.15 ? 146 ASN A N 1 ATOM 1070 C CA . ASN A 1 146 ? 13.014 60.370 25.589 1.00 58.42 ? 146 ASN A CA 1 ATOM 1071 C C . ASN A 1 146 ? 11.899 61.388 25.795 1.00 58.30 ? 146 ASN A C 1 ATOM 1072 O O . ASN A 1 146 ? 12.158 62.586 25.943 1.00 59.61 ? 146 ASN A O 1 ATOM 1073 C CB . ASN A 1 146 ? 14.185 60.701 26.518 1.00 66.98 ? 146 ASN A CB 1 ATOM 1074 C CG . ASN A 1 146 ? 13.815 60.585 27.992 1.00 75.73 ? 146 ASN A CG 1 ATOM 1075 O OD1 . ASN A 1 146 ? 12.712 60.957 28.405 1.00 76.70 ? 146 ASN A OD1 1 ATOM 1076 N ND2 . ASN A 1 146 ? 14.738 60.057 28.791 1.00 79.80 ? 146 ASN A ND2 1 ATOM 1077 N N . SER A 1 147 ? 10.660 60.905 25.808 1.00 52.63 ? 147 SER A N 1 ATOM 1078 C CA . SER A 1 147 ? 9.513 61.776 26.015 1.00 53.97 ? 147 SER A CA 1 ATOM 1079 C C . SER A 1 147 ? 8.520 61.137 26.971 1.00 50.54 ? 147 SER A C 1 ATOM 1080 O O . SER A 1 147 ? 7.640 60.369 26.566 1.00 49.02 ? 147 SER A O 1 ATOM 1081 C CB . SER A 1 147 ? 8.829 62.121 24.691 1.00 56.04 ? 147 SER A CB 1 ATOM 1082 O OG . SER A 1 147 ? 8.367 60.949 24.045 1.00 61.54 ? 147 SER A OG 1 ATOM 1083 N N . PRO A 1 148 ? 8.680 61.420 28.270 1.00 45.63 ? 148 PRO A N 1 ATOM 1084 C CA . PRO A 1 148 ? 7.809 60.891 29.317 1.00 43.61 ? 148 PRO A CA 1 ATOM 1085 C C . PRO A 1 148 ? 6.385 61.393 29.162 1.00 43.82 ? 148 PRO A C 1 ATOM 1086 O O . PRO A 1 148 ? 6.140 62.394 28.485 1.00 49.09 ? 148 PRO A O 1 ATOM 1087 C CB . PRO A 1 148 ? 8.460 61.417 30.597 1.00 43.57 ? 148 PRO A CB 1 ATOM 1088 C CG . PRO A 1 148 ? 9.137 62.667 30.149 1.00 46.33 ? 148 PRO A CG 1 ATOM 1089 C CD . PRO A 1 148 ? 9.749 62.247 28.851 1.00 41.13 ? 148 PRO A CD 1 ATOM 1090 N N . THR A 1 149 ? 5.444 60.623 29.694 1.00 40.06 ? 149 THR A N 1 ATOM 1091 C CA . THR A 1 149 ? 4.046 61.000 29.647 1.00 37.37 ? 149 THR A CA 1 ATOM 1092 C C . THR A 1 149 ? 3.813 61.797 30.918 1.00 38.88 ? 149 THR A C 1 ATOM 1093 O O . THR A 1 149 ? 4.675 61.832 31.803 1.00 34.03 ? 149 THR A O 1 ATOM 1094 C CB . THR A 1 149 ? 3.142 59.770 29.646 1.00 38.39 ? 149 THR A CB 1 ATOM 1095 O OG1 . THR A 1 149 ? 3.231 59.110 30.914 1.00 40.59 ? 149 THR A OG1 1 ATOM 1096 C CG2 . THR A 1 149 ? 3.584 58.807 28.565 1.00 39.75 ? 149 THR A CG2 1 ATOM 1097 N N . ARG A 1 150 ? 2.655 62.436 31.014 1.00 41.86 ? 150 ARG A N 1 ATOM 1098 C CA . ARG A 1 150 ? 2.338 63.227 32.194 1.00 44.43 ? 150 ARG A CA 1 ATOM 1099 C C . ARG A 1 150 ? 2.203 62.378 33.462 1.00 40.34 ? 150 ARG A C 1 ATOM 1100 O O . ARG A 1 150 ? 2.433 62.863 34.568 1.00 42.46 ? 150 ARG A O 1 ATOM 1101 C CB . ARG A 1 150 ? 1.071 64.047 31.949 1.00 48.78 ? 150 ARG A CB 1 ATOM 1102 C CG . ARG A 1 150 ? -0.096 63.266 31.384 1.00 49.67 ? 150 ARG A CG 1 ATOM 1103 C CD . ARG A 1 150 ? -1.265 64.200 31.133 1.00 60.03 ? 150 ARG A CD 1 ATOM 1104 N NE . ARG A 1 150 ? -2.436 63.514 30.589 1.00 69.54 ? 150 ARG A NE 1 ATOM 1105 C CZ . ARG A 1 150 ? -2.517 63.004 29.359 1.00 78.17 ? 150 ARG A CZ 1 ATOM 1106 N NH1 . ARG A 1 150 ? -1.487 63.093 28.519 1.00 81.52 ? 150 ARG A NH1 1 ATOM 1107 N NH2 . ARG A 1 150 ? -3.639 62.411 28.959 1.00 77.33 ? 150 ARG A NH2 1 ATOM 1108 N N . PHE A 1 151 ? 1.913 61.093 33.273 1.00 33.78 ? 151 PHE A N 1 ATOM 1109 C CA . PHE A 1 151 ? 1.714 60.142 34.361 1.00 32.08 ? 151 PHE A CA 1 ATOM 1110 C C . PHE A 1 151 ? 2.960 59.761 35.138 1.00 35.54 ? 151 PHE A C 1 ATOM 1111 O O . PHE A 1 151 ? 2.871 59.158 36.217 1.00 34.13 ? 151 PHE A O 1 ATOM 1112 C CB . PHE A 1 151 ? 1.015 58.908 33.822 1.00 26.26 ? 151 PHE A CB 1 ATOM 1113 C CG . PHE A 1 151 ? -0.293 59.217 33.177 1.00 28.84 ? 151 PHE A CG 1 ATOM 1114 C CD1 . PHE A 1 151 ? -0.466 59.066 31.809 1.00 30.98 ? 151 PHE A CD1 1 ATOM 1115 C CD2 . PHE A 1 151 ? -1.343 59.715 33.933 1.00 29.74 ? 151 PHE A CD2 1 ATOM 1116 C CE1 . PHE A 1 151 ? -1.671 59.414 31.210 1.00 31.82 ? 151 PHE A CE1 1 ATOM 1117 C CE2 . PHE A 1 151 ? -2.553 60.063 33.339 1.00 29.23 ? 151 PHE A CE2 1 ATOM 1118 C CZ . PHE A 1 151 ? -2.717 59.914 31.981 1.00 29.82 ? 151 PHE A CZ 1 ATOM 1119 N N . VAL A 1 152 ? 4.119 60.100 34.585 1.00 39.62 ? 152 VAL A N 1 ATOM 1120 C CA . VAL A 1 152 ? 5.385 59.816 35.242 1.00 39.33 ? 152 VAL A CA 1 ATOM 1121 C C . VAL A 1 152 ? 5.522 60.788 36.408 1.00 42.33 ? 152 VAL A C 1 ATOM 1122 O O . VAL A 1 152 ? 5.788 60.379 37.534 1.00 42.68 ? 152 VAL A O 1 ATOM 1123 C CB . VAL A 1 152 ? 6.573 59.975 34.272 1.00 38.77 ? 152 VAL A CB 1 ATOM 1124 C CG1 . VAL A 1 152 ? 7.882 59.775 35.006 1.00 33.72 ? 152 VAL A CG1 1 ATOM 1125 C CG2 . VAL A 1 152 ? 6.455 58.974 33.137 1.00 30.05 ? 152 VAL A CG2 1 ATOM 1126 N N . GLU A 1 153 ? 5.269 62.066 36.139 1.00 42.84 ? 153 GLU A N 1 ATOM 1127 C CA . GLU A 1 153 ? 5.349 63.108 37.156 1.00 44.06 ? 153 GLU A CA 1 ATOM 1128 C C . GLU A 1 153 ? 4.206 62.948 38.175 1.00 41.90 ? 153 GLU A C 1 ATOM 1129 O O . GLU A 1 153 ? 4.414 63.062 39.381 1.00 43.38 ? 153 GLU A O 1 ATOM 1130 C CB . GLU A 1 153 ? 5.275 64.472 36.471 1.00 58.97 ? 153 GLU A CB 1 ATOM 1131 C CG . GLU A 1 153 ? 5.713 65.642 37.328 1.00 78.38 ? 153 GLU A CG 1 ATOM 1132 C CD . GLU A 1 153 ? 5.623 66.968 36.582 1.00 91.91 ? 153 GLU A CD 1 ATOM 1133 O OE1 . GLU A 1 153 ? 4.596 67.677 36.741 1.00 93.95 ? 153 GLU A OE1 1 ATOM 1134 O OE2 . GLU A 1 153 ? 6.576 67.297 35.834 1.00 94.70 ? 153 GLU A OE2 1 ATOM 1135 N N . TYR A 1 154 ? 3.014 62.637 37.668 1.00 37.42 ? 154 TYR A N 1 ATOM 1136 C CA . TYR A 1 154 ? 1.822 62.455 38.493 1.00 37.85 ? 154 TYR A CA 1 ATOM 1137 C C . TYR A 1 154 ? 2.008 61.376 39.542 1.00 36.45 ? 154 TYR A C 1 ATOM 1138 O O . TYR A 1 154 ? 1.384 61.421 40.594 1.00 41.49 ? 154 TYR A O 1 ATOM 1139 C CB . TYR A 1 154 ? 0.600 62.099 37.634 1.00 35.08 ? 154 TYR A CB 1 ATOM 1140 C CG . TYR A 1 154 ? 0.071 63.216 36.756 1.00 43.06 ? 154 TYR A CG 1 ATOM 1141 C CD1 . TYR A 1 154 ? 0.836 64.355 36.495 1.00 45.58 ? 154 TYR A CD1 1 ATOM 1142 C CD2 . TYR A 1 154 ? -1.195 63.120 36.154 1.00 47.94 ? 154 TYR A CD2 1 ATOM 1143 C CE1 . TYR A 1 154 ? 0.365 65.369 35.656 1.00 47.28 ? 154 TYR A CE1 1 ATOM 1144 C CE2 . TYR A 1 154 ? -1.680 64.132 35.309 1.00 46.15 ? 154 TYR A CE2 1 ATOM 1145 C CZ . TYR A 1 154 ? -0.889 65.250 35.067 1.00 48.10 ? 154 TYR A CZ 1 ATOM 1146 O OH . TYR A 1 154 ? -1.335 66.248 34.235 1.00 45.57 ? 154 TYR A OH 1 ATOM 1147 N N . ALA A 1 155 ? 2.826 60.378 39.231 1.00 33.26 ? 155 ALA A N 1 ATOM 1148 C CA . ALA A 1 155 ? 3.082 59.291 40.166 1.00 32.45 ? 155 ALA A CA 1 ATOM 1149 C C . ALA A 1 155 ? 3.997 59.788 41.288 1.00 34.09 ? 155 ALA A C 1 ATOM 1150 O O . ALA A 1 155 ? 3.796 59.455 42.455 1.00 35.10 ? 155 ALA A O 1 ATOM 1151 C CB . ALA A 1 155 ? 3.704 58.098 39.442 1.00 33.90 ? 155 ALA A CB 1 ATOM 1152 N N . GLU A 1 156 ? 4.976 60.613 40.928 1.00 33.39 ? 156 GLU A N 1 ATOM 1153 C CA . GLU A 1 156 ? 5.915 61.178 41.889 1.00 36.34 ? 156 GLU A CA 1 ATOM 1154 C C . GLU A 1 156 ? 5.169 62.134 42.814 1.00 42.71 ? 156 GLU A C 1 ATOM 1155 O O . GLU A 1 156 ? 5.383 62.140 44.027 1.00 47.83 ? 156 GLU A O 1 ATOM 1156 C CB . GLU A 1 156 ? 7.033 61.920 41.160 1.00 34.18 ? 156 GLU A CB 1 ATOM 1157 C CG . GLU A 1 156 ? 8.059 62.562 42.074 1.00 47.56 ? 156 GLU A CG 1 ATOM 1158 C CD . GLU A 1 156 ? 9.228 63.153 41.313 1.00 57.09 ? 156 GLU A CD 1 ATOM 1159 O OE1 . GLU A 1 156 ? 10.369 63.078 41.813 1.00 61.27 ? 156 GLU A OE1 1 ATOM 1160 O OE2 . GLU A 1 156 ? 9.016 63.687 40.205 1.00 65.37 ? 156 GLU A OE2 1 ATOM 1161 N N . LEU A 1 157 ? 4.283 62.927 42.220 1.00 42.05 ? 157 LEU A N 1 ATOM 1162 C CA . LEU A 1 157 ? 3.464 63.893 42.937 1.00 40.30 ? 157 LEU A CA 1 ATOM 1163 C C . LEU A 1 157 ? 2.515 63.177 43.914 1.00 45.70 ? 157 LEU A C 1 ATOM 1164 O O . LEU A 1 157 ? 2.314 63.623 45.045 1.00 49.99 ? 157 LEU A O 1 ATOM 1165 C CB . LEU A 1 157 ? 2.677 64.721 41.915 1.00 45.22 ? 157 LEU A CB 1 ATOM 1166 C CG . LEU A 1 157 ? 1.818 65.914 42.331 1.00 47.36 ? 157 LEU A CG 1 ATOM 1167 C CD1 . LEU A 1 157 ? 0.490 65.455 42.904 1.00 50.22 ? 157 LEU A CD1 1 ATOM 1168 C CD2 . LEU A 1 157 ? 2.583 66.779 43.317 1.00 52.72 ? 157 LEU A CD2 1 ATOM 1169 N N . ALA A 1 158 ? 1.949 62.055 43.477 1.00 42.72 ? 158 ALA A N 1 ATOM 1170 C CA . ALA A 1 158 ? 1.033 61.287 44.307 1.00 37.94 ? 158 ALA A CA 1 ATOM 1171 C C . ALA A 1 158 ? 1.744 60.714 45.527 1.00 39.15 ? 158 ALA A C 1 ATOM 1172 O O . ALA A 1 158 ? 1.177 60.677 46.617 1.00 38.49 ? 158 ALA A O 1 ATOM 1173 C CB . ALA A 1 158 ? 0.402 60.179 43.495 1.00 31.24 ? 158 ALA A CB 1 ATOM 1174 N N . ALA A 1 159 ? 2.984 60.267 45.339 1.00 41.62 ? 159 ALA A N 1 ATOM 1175 C CA . ALA A 1 159 ? 3.773 59.696 46.430 1.00 43.41 ? 159 ALA A CA 1 ATOM 1176 C C . ALA A 1 159 ? 4.036 60.728 47.527 1.00 48.54 ? 159 ALA A C 1 ATOM 1177 O O . ALA A 1 159 ? 3.837 60.448 48.707 1.00 49.24 ? 159 ALA A O 1 ATOM 1178 C CB . ALA A 1 159 ? 5.077 59.148 45.899 1.00 42.42 ? 159 ALA A CB 1 ATOM 1179 N N . GLU A 1 160 ? 4.459 61.926 47.127 1.00 51.39 ? 160 GLU A N 1 ATOM 1180 C CA . GLU A 1 160 ? 4.744 63.014 48.062 1.00 52.33 ? 160 GLU A CA 1 ATOM 1181 C C . GLU A 1 160 ? 3.521 63.309 48.909 1.00 51.59 ? 160 GLU A C 1 ATOM 1182 O O . GLU A 1 160 ? 3.572 63.250 50.137 1.00 56.07 ? 160 GLU A O 1 ATOM 1183 C CB . GLU A 1 160 ? 5.159 64.279 47.306 1.00 55.35 ? 160 GLU A CB 1 ATOM 1184 C CG . GLU A 1 160 ? 6.524 64.185 46.630 1.00 68.64 ? 160 GLU A CG 1 ATOM 1185 C CD . GLU A 1 160 ? 6.847 65.390 45.751 1.00 75.88 ? 160 GLU A CD 1 ATOM 1186 O OE1 . GLU A 1 160 ? 6.195 66.447 45.907 1.00 79.36 ? 160 GLU A OE1 1 ATOM 1187 O OE2 . GLU A 1 160 ? 7.755 65.277 44.896 1.00 79.18 ? 160 GLU A OE2 1 ATOM 1188 N N . VAL A 1 161 ? 2.414 63.589 48.232 1.00 45.76 ? 161 VAL A N 1 ATOM 1189 C CA . VAL A 1 161 ? 1.150 63.894 48.880 1.00 40.95 ? 161 VAL A CA 1 ATOM 1190 C C . VAL A 1 161 ? 0.680 62.802 49.857 1.00 42.13 ? 161 VAL A C 1 ATOM 1191 O O . VAL A 1 161 ? 0.242 63.097 50.969 1.00 43.12 ? 161 VAL A O 1 ATOM 1192 C CB . VAL A 1 161 ? 0.079 64.163 47.811 1.00 37.91 ? 161 VAL A CB 1 ATOM 1193 C CG1 . VAL A 1 161 ? -1.303 64.260 48.434 1.00 36.10 ? 161 VAL A CG1 1 ATOM 1194 C CG2 . VAL A 1 161 ? 0.410 65.446 47.080 1.00 33.13 ? 161 VAL A CG2 1 ATOM 1195 N N . ALA A 1 162 ? 0.795 61.544 49.450 1.00 43.43 ? 162 ALA A N 1 ATOM 1196 C CA . ALA A 1 162 ? 0.376 60.425 50.287 1.00 40.80 ? 162 ALA A CA 1 ATOM 1197 C C . ALA A 1 162 ? 1.425 60.039 51.331 1.00 42.06 ? 162 ALA A C 1 ATOM 1198 O O . ALA A 1 162 ? 1.141 59.270 52.253 1.00 35.17 ? 162 ALA A O 1 ATOM 1199 C CB . ALA A 1 162 ? 0.045 59.227 49.412 1.00 41.40 ? 162 ALA A CB 1 ATOM 1200 N N . GLY A 1 163 ? 2.639 60.554 51.166 1.00 41.02 ? 163 GLY A N 1 ATOM 1201 C CA . GLY A 1 163 ? 3.708 60.251 52.099 1.00 43.26 ? 163 GLY A CA 1 ATOM 1202 C C . GLY A 1 163 ? 4.237 58.830 52.001 1.00 48.35 ? 163 GLY A C 1 ATOM 1203 O O . GLY A 1 163 ? 4.557 58.210 53.023 1.00 50.16 ? 163 GLY A O 1 ATOM 1204 N N . VAL A 1 164 ? 4.305 58.298 50.780 1.00 45.00 ? 164 VAL A N 1 ATOM 1205 C CA . VAL A 1 164 ? 4.824 56.950 50.554 1.00 38.89 ? 164 VAL A CA 1 ATOM 1206 C C . VAL A 1 164 ? 6.077 57.008 49.679 1.00 38.57 ? 164 VAL A C 1 ATOM 1207 O O . VAL A 1 164 ? 6.541 58.095 49.311 1.00 36.40 ? 164 VAL A O 1 ATOM 1208 C CB . VAL A 1 164 ? 3.757 56.010 49.925 1.00 43.20 ? 164 VAL A CB 1 ATOM 1209 C CG1 . VAL A 1 164 ? 2.604 55.801 50.901 1.00 37.65 ? 164 VAL A CG1 1 ATOM 1210 C CG2 . VAL A 1 164 ? 3.238 56.575 48.611 1.00 42.04 ? 164 VAL A CG2 1 ATOM 1211 N N . GLU A 1 165 ? 6.643 55.847 49.372 1.00 38.16 ? 165 GLU A N 1 ATOM 1212 C CA . GLU A 1 165 ? 7.847 55.796 48.558 1.00 39.77 ? 165 GLU A CA 1 ATOM 1213 C C . GLU A 1 165 ? 7.568 55.833 47.069 1.00 40.94 ? 165 GLU A C 1 ATOM 1214 O O . GLU A 1 165 ? 6.527 55.375 46.605 1.00 39.21 ? 165 GLU A O 1 ATOM 1215 C CB . GLU A 1 165 ? 8.657 54.557 48.899 1.00 39.74 ? 165 GLU A CB 1 ATOM 1216 C CG . GLU A 1 165 ? 9.157 54.574 50.313 1.00 40.92 ? 165 GLU A CG 1 ATOM 1217 C CD . GLU A 1 165 ? 9.882 53.311 50.693 1.00 43.82 ? 165 GLU A CD 1 ATOM 1218 O OE1 . GLU A 1 165 ? 9.196 52.312 51.000 1.00 43.74 ? 165 GLU A OE1 1 ATOM 1219 O OE2 . GLU A 1 165 ? 11.132 53.321 50.696 1.00 44.13 ? 165 GLU A OE2 1 ATOM 1220 N N . TYR A 1 166 ? 8.513 56.396 46.327 1.00 41.47 ? 166 TYR A N 1 ATOM 1221 C CA . TYR A 1 166 ? 8.396 56.495 44.886 1.00 39.24 ? 166 TYR A CA 1 ATOM 1222 C C . TYR A 1 166 ? 9.653 55.968 44.216 1.00 38.99 ? 166 TYR A C 1 ATOM 1223 O O . TYR A 1 166 ? 10.771 56.217 44.674 1.00 39.84 ? 166 TYR A O 1 ATOM 1224 C CB . TYR A 1 166 ? 8.153 57.947 44.467 1.00 38.46 ? 166 TYR A CB 1 ATOM 1225 C CG . TYR A 1 166 ? 8.277 58.199 42.976 1.00 37.80 ? 166 TYR A CG 1 ATOM 1226 C CD1 . TYR A 1 166 ? 7.340 57.701 42.078 1.00 33.88 ? 166 TYR A CD1 1 ATOM 1227 C CD2 . TYR A 1 166 ? 9.340 58.942 42.467 1.00 39.87 ? 166 TYR A CD2 1 ATOM 1228 C CE1 . TYR A 1 166 ? 7.456 57.937 40.706 1.00 35.52 ? 166 TYR A CE1 1 ATOM 1229 C CE2 . TYR A 1 166 ? 9.468 59.184 41.099 1.00 44.39 ? 166 TYR A CE2 1 ATOM 1230 C CZ . TYR A 1 166 ? 8.524 58.681 40.223 1.00 42.22 ? 166 TYR A CZ 1 ATOM 1231 O OH . TYR A 1 166 ? 8.665 58.944 38.872 1.00 40.24 ? 166 TYR A OH 1 ATOM 1232 N N . VAL A 1 167 ? 9.447 55.219 43.139 1.00 36.26 ? 167 VAL A N 1 ATOM 1233 C CA . VAL A 1 167 ? 10.528 54.658 42.349 1.00 37.79 ? 167 VAL A CA 1 ATOM 1234 C C . VAL A 1 167 ? 10.300 55.102 40.904 1.00 37.99 ? 167 VAL A C 1 ATOM 1235 O O . VAL A 1 167 ? 9.231 54.868 40.333 1.00 39.08 ? 167 VAL A O 1 ATOM 1236 C CB . VAL A 1 167 ? 10.529 53.123 42.423 1.00 39.39 ? 167 VAL A CB 1 ATOM 1237 C CG1 . VAL A 1 167 ? 11.608 52.553 41.533 1.00 35.77 ? 167 VAL A CG1 1 ATOM 1238 C CG2 . VAL A 1 167 ? 10.762 52.682 43.840 1.00 40.79 ? 167 VAL A CG2 1 ATOM 1239 N N . ASP A 1 168 ? 11.290 55.781 40.334 1.00 39.21 ? 168 ASP A N 1 ATOM 1240 C CA . ASP A 1 168 ? 11.209 56.262 38.965 1.00 36.90 ? 168 ASP A CA 1 ATOM 1241 C C . ASP A 1 168 ? 11.560 55.114 38.025 1.00 37.08 ? 168 ASP A C 1 ATOM 1242 O O . ASP A 1 168 ? 12.680 55.024 37.517 1.00 37.16 ? 168 ASP A O 1 ATOM 1243 C CB . ASP A 1 168 ? 12.185 57.420 38.781 1.00 38.97 ? 168 ASP A CB 1 ATOM 1244 C CG . ASP A 1 168 ? 11.909 58.225 37.541 1.00 43.19 ? 168 ASP A CG 1 ATOM 1245 O OD1 . ASP A 1 168 ? 11.058 57.818 36.718 1.00 42.19 ? 168 ASP A OD1 1 ATOM 1246 O OD2 . ASP A 1 168 ? 12.557 59.278 37.396 1.00 44.45 ? 168 ASP A OD2 1 ATOM 1247 N N . HIS A 1 169 ? 10.600 54.226 37.807 1.00 33.56 ? 169 HIS A N 1 ATOM 1248 C CA . HIS A 1 169 ? 10.816 53.075 36.939 1.00 33.12 ? 169 HIS A CA 1 ATOM 1249 C C . HIS A 1 169 ? 11.030 53.510 35.492 1.00 33.65 ? 169 HIS A C 1 ATOM 1250 O O . HIS A 1 169 ? 11.817 52.901 34.778 1.00 31.87 ? 169 HIS A O 1 ATOM 1251 C CB . HIS A 1 169 ? 9.629 52.120 37.033 1.00 36.77 ? 169 HIS A CB 1 ATOM 1252 C CG . HIS A 1 169 ? 9.909 50.755 36.498 1.00 34.35 ? 169 HIS A CG 1 ATOM 1253 N ND1 . HIS A 1 169 ? 8.925 49.800 36.346 1.00 32.44 ? 169 HIS A ND1 1 ATOM 1254 C CD2 . HIS A 1 169 ? 11.061 50.177 36.080 1.00 31.75 ? 169 HIS A CD2 1 ATOM 1255 C CE1 . HIS A 1 169 ? 9.459 48.696 35.858 1.00 31.36 ? 169 HIS A CE1 1 ATOM 1256 N NE2 . HIS A 1 169 ? 10.754 48.898 35.687 1.00 31.14 ? 169 HIS A NE2 1 ATOM 1257 N N . TRP A 1 170 ? 10.344 54.580 35.083 1.00 34.99 ? 170 TRP A N 1 ATOM 1258 C CA . TRP A 1 170 ? 10.466 55.112 33.731 1.00 34.65 ? 170 TRP A CA 1 ATOM 1259 C C . TRP A 1 170 ? 11.918 55.411 33.368 1.00 35.88 ? 170 TRP A C 1 ATOM 1260 O O . TRP A 1 170 ? 12.452 54.863 32.403 1.00 41.27 ? 170 TRP A O 1 ATOM 1261 C CB . TRP A 1 170 ? 9.641 56.401 33.572 1.00 34.45 ? 170 TRP A CB 1 ATOM 1262 C CG . TRP A 1 170 ? 9.944 57.162 32.277 1.00 40.51 ? 170 TRP A CG 1 ATOM 1263 C CD1 . TRP A 1 170 ? 11.047 57.951 32.012 1.00 39.35 ? 170 TRP A CD1 1 ATOM 1264 C CD2 . TRP A 1 170 ? 9.184 57.133 31.063 1.00 38.32 ? 170 TRP A CD2 1 ATOM 1265 N NE1 . TRP A 1 170 ? 11.021 58.389 30.709 1.00 36.90 ? 170 TRP A NE1 1 ATOM 1266 C CE2 . TRP A 1 170 ? 9.891 57.904 30.103 1.00 40.22 ? 170 TRP A CE2 1 ATOM 1267 C CE3 . TRP A 1 170 ? 7.977 56.529 30.686 1.00 38.50 ? 170 TRP A CE3 1 ATOM 1268 C CZ2 . TRP A 1 170 ? 9.426 58.079 28.791 1.00 40.67 ? 170 TRP A CZ2 1 ATOM 1269 C CZ3 . TRP A 1 170 ? 7.514 56.710 29.374 1.00 39.70 ? 170 TRP A CZ3 1 ATOM 1270 C CH2 . TRP A 1 170 ? 8.240 57.476 28.448 1.00 33.49 ? 170 TRP A CH2 1 ATOM 1271 N N . SER A 1 171 ? 12.540 56.296 34.141 1.00 33.16 ? 171 SER A N 1 ATOM 1272 C CA . SER A 1 171 ? 13.911 56.722 33.894 1.00 33.86 ? 171 SER A CA 1 ATOM 1273 C C . SER A 1 171 ? 14.939 55.612 33.866 1.00 38.12 ? 171 SER A C 1 ATOM 1274 O O . SER A 1 171 ? 15.855 55.629 33.039 1.00 38.42 ? 171 SER A O 1 ATOM 1275 C CB . SER A 1 171 ? 14.314 57.781 34.913 1.00 37.22 ? 171 SER A CB 1 ATOM 1276 O OG . SER A 1 171 ? 13.420 58.876 34.854 1.00 39.86 ? 171 SER A OG 1 ATOM 1277 N N . TYR A 1 172 ? 14.793 54.644 34.764 1.00 39.48 ? 172 TYR A N 1 ATOM 1278 C CA . TYR A 1 172 ? 15.736 53.541 34.814 1.00 38.19 ? 172 TYR A CA 1 ATOM 1279 C C . TYR A 1 172 ? 15.587 52.596 33.640 1.00 38.62 ? 172 TYR A C 1 ATOM 1280 O O . TYR A 1 172 ? 16.555 51.964 33.222 1.00 42.08 ? 172 TYR A O 1 ATOM 1281 C CB . TYR A 1 172 ? 15.647 52.804 36.145 1.00 37.49 ? 172 TYR A CB 1 ATOM 1282 C CG . TYR A 1 172 ? 16.415 53.509 37.235 1.00 44.95 ? 172 TYR A CG 1 ATOM 1283 C CD1 . TYR A 1 172 ? 15.797 54.452 38.050 1.00 46.41 ? 172 TYR A CD1 1 ATOM 1284 C CD2 . TYR A 1 172 ? 17.772 53.255 37.436 1.00 47.12 ? 172 TYR A CD2 1 ATOM 1285 C CE1 . TYR A 1 172 ? 16.510 55.131 39.041 1.00 47.15 ? 172 TYR A CE1 1 ATOM 1286 C CE2 . TYR A 1 172 ? 18.496 53.928 38.427 1.00 45.35 ? 172 TYR A CE2 1 ATOM 1287 C CZ . TYR A 1 172 ? 17.857 54.865 39.228 1.00 45.73 ? 172 TYR A CZ 1 ATOM 1288 O OH . TYR A 1 172 ? 18.548 55.528 40.225 1.00 39.37 ? 172 TYR A OH 1 ATOM 1289 N N . VAL A 1 173 ? 14.383 52.519 33.086 1.00 36.10 ? 173 VAL A N 1 ATOM 1290 C CA . VAL A 1 173 ? 14.159 51.652 31.937 1.00 36.30 ? 173 VAL A CA 1 ATOM 1291 C C . VAL A 1 173 ? 14.719 52.328 30.701 1.00 36.17 ? 173 VAL A C 1 ATOM 1292 O O . VAL A 1 173 ? 15.487 51.727 29.956 1.00 38.12 ? 173 VAL A O 1 ATOM 1293 C CB . VAL A 1 173 ? 12.665 51.341 31.722 1.00 36.60 ? 173 VAL A CB 1 ATOM 1294 C CG1 . VAL A 1 173 ? 12.484 50.514 30.461 1.00 34.95 ? 173 VAL A CG1 1 ATOM 1295 C CG2 . VAL A 1 173 ? 12.118 50.581 32.916 1.00 34.24 ? 173 VAL A CG2 1 ATOM 1296 N N . ASP A 1 174 ? 14.371 53.597 30.515 1.00 36.37 ? 174 ASP A N 1 ATOM 1297 C CA . ASP A 1 174 ? 14.852 54.340 29.363 1.00 37.92 ? 174 ASP A CA 1 ATOM 1298 C C . ASP A 1 174 ? 16.367 54.398 29.353 1.00 37.23 ? 174 ASP A C 1 ATOM 1299 O O . ASP A 1 174 ? 16.995 54.256 28.309 1.00 41.18 ? 174 ASP A O 1 ATOM 1300 C CB . ASP A 1 174 ? 14.262 55.750 29.336 1.00 35.04 ? 174 ASP A CB 1 ATOM 1301 C CG . ASP A 1 174 ? 13.299 55.956 28.180 1.00 36.03 ? 174 ASP A CG 1 ATOM 1302 O OD1 . ASP A 1 174 ? 12.977 54.981 27.471 1.00 37.50 ? 174 ASP A OD1 1 ATOM 1303 O OD2 . ASP A 1 174 ? 12.857 57.098 27.974 1.00 41.12 ? 174 ASP A OD2 1 ATOM 1304 N N . SER A 1 175 ? 16.948 54.552 30.534 1.00 40.48 ? 175 SER A N 1 ATOM 1305 C CA . SER A 1 175 ? 18.396 54.626 30.677 1.00 42.23 ? 175 SER A CA 1 ATOM 1306 C C . SER A 1 175 ? 19.122 53.454 30.009 1.00 42.58 ? 175 SER A C 1 ATOM 1307 O O . SER A 1 175 ? 20.028 53.663 29.204 1.00 45.28 ? 175 SER A O 1 ATOM 1308 C CB . SER A 1 175 ? 18.768 54.702 32.159 1.00 47.42 ? 175 SER A CB 1 ATOM 1309 O OG . SER A 1 175 ? 20.172 54.702 32.333 1.00 47.24 ? 175 SER A OG 1 ATOM 1310 N N . ILE A 1 176 ? 18.732 52.228 30.341 1.00 43.40 ? 176 ILE A N 1 ATOM 1311 C CA . ILE A 1 176 ? 19.374 51.057 29.745 1.00 49.41 ? 176 ILE A CA 1 ATOM 1312 C C . ILE A 1 176 ? 18.899 50.811 28.324 1.00 48.24 ? 176 ILE A C 1 ATOM 1313 O O . ILE A 1 176 ? 19.598 50.174 27.534 1.00 49.34 ? 176 ILE A O 1 ATOM 1314 C CB . ILE A 1 176 ? 19.162 49.788 30.569 1.00 50.08 ? 176 ILE A CB 1 ATOM 1315 C CG1 . ILE A 1 176 ? 17.677 49.587 30.827 1.00 53.39 ? 176 ILE A CG1 1 ATOM 1316 C CG2 . ILE A 1 176 ? 19.974 49.860 31.859 1.00 59.96 ? 176 ILE A CG2 1 ATOM 1317 C CD1 . ILE A 1 176 ? 17.386 48.395 31.663 1.00 68.23 ? 176 ILE A CD1 1 ATOM 1318 N N . TYR A 1 177 ? 17.692 51.276 28.012 1.00 45.32 ? 177 TYR A N 1 ATOM 1319 C CA . TYR A 1 177 ? 17.166 51.135 26.664 1.00 40.95 ? 177 TYR A CA 1 ATOM 1320 C C . TYR A 1 177 ? 18.089 51.921 25.740 1.00 38.17 ? 177 TYR A C 1 ATOM 1321 O O . TYR A 1 177 ? 18.381 51.496 24.631 1.00 37.73 ? 177 TYR A O 1 ATOM 1322 C CB . TYR A 1 177 ? 15.752 51.696 26.570 1.00 37.57 ? 177 TYR A CB 1 ATOM 1323 C CG . TYR A 1 177 ? 14.647 50.692 26.808 1.00 35.82 ? 177 TYR A CG 1 ATOM 1324 C CD1 . TYR A 1 177 ? 14.920 49.339 26.955 1.00 36.79 ? 177 TYR A CD1 1 ATOM 1325 C CD2 . TYR A 1 177 ? 13.314 51.102 26.858 1.00 37.20 ? 177 TYR A CD2 1 ATOM 1326 C CE1 . TYR A 1 177 ? 13.894 48.416 27.143 1.00 35.30 ? 177 TYR A CE1 1 ATOM 1327 C CE2 . TYR A 1 177 ? 12.279 50.192 27.046 1.00 31.80 ? 177 TYR A CE2 1 ATOM 1328 C CZ . TYR A 1 177 ? 12.574 48.851 27.189 1.00 39.25 ? 177 TYR A CZ 1 ATOM 1329 O OH . TYR A 1 177 ? 11.549 47.951 27.399 1.00 33.71 ? 177 TYR A OH 1 ATOM 1330 N N . GLU A 1 178 ? 18.584 53.050 26.228 1.00 33.63 ? 178 GLU A N 1 ATOM 1331 C CA . GLU A 1 178 ? 19.486 53.884 25.451 1.00 39.20 ? 178 GLU A CA 1 ATOM 1332 C C . GLU A 1 178 ? 20.838 53.193 25.236 1.00 42.03 ? 178 GLU A C 1 ATOM 1333 O O . GLU A 1 178 ? 21.420 53.251 24.147 1.00 46.25 ? 178 GLU A O 1 ATOM 1334 C CB . GLU A 1 178 ? 19.676 55.213 26.158 1.00 37.49 ? 178 GLU A CB 1 ATOM 1335 C CG . GLU A 1 178 ? 20.507 56.194 25.390 1.00 48.36 ? 178 GLU A CG 1 ATOM 1336 C CD . GLU A 1 178 ? 20.611 57.520 26.093 1.00 56.15 ? 178 GLU A CD 1 ATOM 1337 O OE1 . GLU A 1 178 ? 20.318 57.576 27.312 1.00 56.57 ? 178 GLU A OE1 1 ATOM 1338 O OE2 . GLU A 1 178 ? 20.980 58.508 25.422 1.00 63.47 ? 178 GLU A OE2 1 ATOM 1339 N N . THR A 1 179 ? 21.316 52.520 26.280 1.00 41.57 ? 179 THR A N 1 ATOM 1340 C CA . THR A 1 179 ? 22.584 51.800 26.246 1.00 41.36 ? 179 THR A CA 1 ATOM 1341 C C . THR A 1 179 ? 22.525 50.620 25.269 1.00 43.16 ? 179 THR A C 1 ATOM 1342 O O . THR A 1 179 ? 23.443 50.416 24.476 1.00 42.20 ? 179 THR A O 1 ATOM 1343 C CB . THR A 1 179 ? 22.936 51.258 27.656 1.00 43.08 ? 179 THR A CB 1 ATOM 1344 O OG1 . THR A 1 179 ? 23.002 52.342 28.588 1.00 43.67 ? 179 THR A OG1 1 ATOM 1345 C CG2 . THR A 1 179 ? 24.266 50.533 27.646 1.00 44.66 ? 179 THR A CG2 1 ATOM 1346 N N . LEU A 1 180 ? 21.414 49.884 25.304 1.00 45.56 ? 180 LEU A N 1 ATOM 1347 C CA . LEU A 1 180 ? 21.205 48.701 24.468 1.00 48.15 ? 180 LEU A CA 1 ATOM 1348 C C . LEU A 1 180 ? 21.099 48.914 22.950 1.00 50.12 ? 180 LEU A C 1 ATOM 1349 O O . LEU A 1 180 ? 21.313 47.976 22.162 1.00 50.08 ? 180 LEU A O 1 ATOM 1350 C CB . LEU A 1 180 ? 20.007 47.903 24.990 1.00 50.03 ? 180 LEU A CB 1 ATOM 1351 C CG . LEU A 1 180 ? 20.174 47.322 26.400 1.00 48.24 ? 180 LEU A CG 1 ATOM 1352 C CD1 . LEU A 1 180 ? 18.906 46.622 26.851 1.00 53.66 ? 180 LEU A CD1 1 ATOM 1353 C CD2 . LEU A 1 180 ? 21.335 46.349 26.424 1.00 49.62 ? 180 LEU A CD2 1 ATOM 1354 N N . GLY A 1 181 ? 20.741 50.127 22.544 1.00 47.75 ? 181 GLY A N 1 ATOM 1355 C CA . GLY A 1 181 ? 20.654 50.436 21.124 1.00 51.46 ? 181 GLY A CA 1 ATOM 1356 C C . GLY A 1 181 ? 19.423 50.032 20.324 1.00 49.87 ? 181 GLY A C 1 ATOM 1357 O O . GLY A 1 181 ? 18.588 49.248 20.784 1.00 50.75 ? 181 GLY A O 1 ATOM 1358 N N . ASN A 1 182 ? 19.347 50.557 19.097 1.00 46.48 ? 182 ASN A N 1 ATOM 1359 C CA . ASN A 1 182 ? 18.245 50.307 18.172 1.00 46.43 ? 182 ASN A CA 1 ATOM 1360 C C . ASN A 1 182 ? 17.885 48.833 17.940 1.00 48.58 ? 182 ASN A C 1 ATOM 1361 O O . ASN A 1 182 ? 16.766 48.414 18.235 1.00 49.04 ? 182 ASN A O 1 ATOM 1362 C CB . ASN A 1 182 ? 18.509 50.975 16.807 1.00 48.69 ? 182 ASN A CB 1 ATOM 1363 C CG . ASN A 1 182 ? 17.390 50.697 15.808 1.00 54.26 ? 182 ASN A CG 1 ATOM 1364 O OD1 . ASN A 1 182 ? 16.270 51.139 16.040 1.00 54.25 ? 182 ASN A OD1 1 ATOM 1365 N ND2 . ASN A 1 182 ? 17.679 50.013 14.695 1.00 58.69 ? 182 ASN A ND2 1 ATOM 1366 N N . ALA A 1 183 ? 18.817 48.058 17.385 1.00 47.05 ? 183 ALA A N 1 ATOM 1367 C CA . ALA A 1 183 ? 18.567 46.650 17.077 1.00 43.26 ? 183 ALA A CA 1 ATOM 1368 C C . ALA A 1 183 ? 18.018 45.831 18.237 1.00 45.78 ? 183 ALA A C 1 ATOM 1369 O O . ALA A 1 183 ? 16.968 45.193 18.113 1.00 42.80 ? 183 ALA A O 1 ATOM 1370 C CB . ALA A 1 183 ? 19.830 45.997 16.532 1.00 42.67 ? 183 ALA A CB 1 ATOM 1371 N N . THR A 1 184 ? 18.720 45.878 19.368 1.00 46.40 ? 184 THR A N 1 ATOM 1372 C CA . THR A 1 184 ? 18.348 45.118 20.551 1.00 40.91 ? 184 THR A CA 1 ATOM 1373 C C . THR A 1 184 ? 16.983 45.476 21.115 1.00 41.07 ? 184 THR A C 1 ATOM 1374 O O . THR A 1 184 ? 16.110 44.614 21.246 1.00 39.15 ? 184 THR A O 1 ATOM 1375 C CB . THR A 1 184 ? 19.407 45.273 21.648 1.00 43.34 ? 184 THR A CB 1 ATOM 1376 O OG1 . THR A 1 184 ? 20.690 44.919 21.119 1.00 39.66 ? 184 THR A OG1 1 ATOM 1377 C CG2 . THR A 1 184 ? 19.094 44.368 22.821 1.00 33.08 ? 184 THR A CG2 1 ATOM 1378 N N . VAL A 1 185 ? 16.786 46.751 21.428 1.00 38.23 ? 185 VAL A N 1 ATOM 1379 C CA . VAL A 1 185 ? 15.517 47.178 21.996 1.00 35.12 ? 185 VAL A CA 1 ATOM 1380 C C . VAL A 1 185 ? 14.328 46.861 21.106 1.00 36.98 ? 185 VAL A C 1 ATOM 1381 O O . VAL A 1 185 ? 13.300 46.398 21.592 1.00 41.78 ? 185 VAL A O 1 ATOM 1382 C CB . VAL A 1 185 ? 15.530 48.672 22.375 1.00 33.36 ? 185 VAL A CB 1 ATOM 1383 C CG1 . VAL A 1 185 ? 14.181 49.092 22.941 1.00 23.90 ? 185 VAL A CG1 1 ATOM 1384 C CG2 . VAL A 1 185 ? 16.607 48.925 23.412 1.00 32.39 ? 185 VAL A CG2 1 ATOM 1385 N N . ASN A 1 186 ? 14.467 47.061 19.801 1.00 40.61 ? 186 ASN A N 1 ATOM 1386 C CA . ASN A 1 186 ? 13.359 46.781 18.890 1.00 41.42 ? 186 ASN A CA 1 ATOM 1387 C C . ASN A 1 186 ? 12.879 45.334 18.889 1.00 40.35 ? 186 ASN A C 1 ATOM 1388 O O . ASN A 1 186 ? 11.721 45.068 18.577 1.00 38.06 ? 186 ASN A O 1 ATOM 1389 C CB . ASN A 1 186 ? 13.686 47.254 17.479 1.00 44.54 ? 186 ASN A CB 1 ATOM 1390 C CG . ASN A 1 186 ? 13.438 48.739 17.304 1.00 44.15 ? 186 ASN A CG 1 ATOM 1391 O OD1 . ASN A 1 186 ? 12.298 49.203 17.381 1.00 38.36 ? 186 ASN A OD1 1 ATOM 1392 N ND2 . ASN A 1 186 ? 14.506 49.497 17.092 1.00 45.43 ? 186 ASN A ND2 1 ATOM 1393 N N . SER A 1 187 ? 13.756 44.413 19.281 1.00 41.65 ? 187 SER A N 1 ATOM 1394 C CA . SER A 1 187 ? 13.404 42.998 19.340 1.00 42.99 ? 187 SER A CA 1 ATOM 1395 C C . SER A 1 187 ? 12.549 42.703 20.573 1.00 42.21 ? 187 SER A C 1 ATOM 1396 O O . SER A 1 187 ? 11.983 41.609 20.696 1.00 41.84 ? 187 SER A O 1 ATOM 1397 C CB . SER A 1 187 ? 14.661 42.122 19.369 1.00 45.71 ? 187 SER A CB 1 ATOM 1398 O OG . SER A 1 187 ? 15.247 42.100 20.661 1.00 48.22 ? 187 SER A OG 1 ATOM 1399 N N . TYR A 1 188 ? 12.515 43.660 21.504 1.00 36.16 ? 188 TYR A N 1 ATOM 1400 C CA . TYR A 1 188 ? 11.731 43.539 22.735 1.00 34.51 ? 188 TYR A CA 1 ATOM 1401 C C . TYR A 1 188 ? 10.271 43.852 22.450 1.00 37.71 ? 188 TYR A C 1 ATOM 1402 O O . TYR A 1 188 ? 9.400 43.548 23.264 1.00 40.05 ? 188 TYR A O 1 ATOM 1403 C CB . TYR A 1 188 ? 12.214 44.516 23.815 1.00 28.28 ? 188 TYR A CB 1 ATOM 1404 C CG . TYR A 1 188 ? 13.581 44.232 24.385 1.00 29.40 ? 188 TYR A CG 1 ATOM 1405 C CD1 . TYR A 1 188 ? 14.320 45.236 25.020 1.00 27.35 ? 188 TYR A CD1 1 ATOM 1406 C CD2 . TYR A 1 188 ? 14.143 42.965 24.296 1.00 32.12 ? 188 TYR A CD2 1 ATOM 1407 C CE1 . TYR A 1 188 ? 15.584 44.979 25.551 1.00 25.08 ? 188 TYR A CE1 1 ATOM 1408 C CE2 . TYR A 1 188 ? 15.406 42.700 24.824 1.00 32.05 ? 188 TYR A CE2 1 ATOM 1409 C CZ . TYR A 1 188 ? 16.118 43.706 25.447 1.00 28.92 ? 188 TYR A CZ 1 ATOM 1410 O OH . TYR A 1 188 ? 17.364 43.409 25.966 1.00 36.44 ? 188 TYR A OH 1 ATOM 1411 N N . PHE A 1 189 ? 10.012 44.485 21.309 1.00 40.75 ? 189 PHE A N 1 ATOM 1412 C CA . PHE A 1 189 ? 8.654 44.872 20.929 1.00 42.20 ? 189 PHE A CA 1 ATOM 1413 C C . PHE A 1 189 ? 8.277 44.247 19.598 1.00 46.48 ? 189 PHE A C 1 ATOM 1414 O O . PHE A 1 189 ? 8.336 44.895 18.553 1.00 48.33 ? 189 PHE A O 1 ATOM 1415 C CB . PHE A 1 189 ? 8.551 46.394 20.830 1.00 35.81 ? 189 PHE A CB 1 ATOM 1416 C CG . PHE A 1 189 ? 8.824 47.101 22.122 1.00 36.56 ? 189 PHE A CG 1 ATOM 1417 C CD1 . PHE A 1 189 ? 10.110 47.533 22.439 1.00 37.62 ? 189 PHE A CD1 1 ATOM 1418 C CD2 . PHE A 1 189 ? 7.801 47.316 23.033 1.00 34.77 ? 189 PHE A CD2 1 ATOM 1419 C CE1 . PHE A 1 189 ? 10.371 48.167 23.648 1.00 39.45 ? 189 PHE A CE1 1 ATOM 1420 C CE2 . PHE A 1 189 ? 8.050 47.948 24.243 1.00 36.39 ? 189 PHE A CE2 1 ATOM 1421 C CZ . PHE A 1 189 ? 9.338 48.375 24.553 1.00 36.79 ? 189 PHE A CZ 1 ATOM 1422 N N . PRO A 1 190 ? 7.867 42.976 19.614 1.00 50.22 ? 190 PRO A N 1 ATOM 1423 C CA . PRO A 1 190 ? 7.487 42.273 18.388 1.00 52.64 ? 190 PRO A CA 1 ATOM 1424 C C . PRO A 1 190 ? 6.259 42.873 17.699 1.00 53.79 ? 190 PRO A C 1 ATOM 1425 O O . PRO A 1 190 ? 6.351 43.413 16.593 1.00 57.65 ? 190 PRO A O 1 ATOM 1426 C CB . PRO A 1 190 ? 7.189 40.857 18.894 1.00 57.34 ? 190 PRO A CB 1 ATOM 1427 C CG . PRO A 1 190 ? 7.980 40.756 20.181 1.00 53.10 ? 190 PRO A CG 1 ATOM 1428 C CD . PRO A 1 190 ? 7.727 42.095 20.784 1.00 49.85 ? 190 PRO A CD 1 ATOM 1429 N N . ILE A 1 191 ? 5.123 42.766 18.385 1.00 50.61 ? 191 ILE A N 1 ATOM 1430 C CA . ILE A 1 191 ? 3.821 43.241 17.917 1.00 52.75 ? 191 ILE A CA 1 ATOM 1431 C C . ILE A 1 191 ? 3.583 44.761 17.891 1.00 52.87 ? 191 ILE A C 1 ATOM 1432 O O . ILE A 1 191 ? 3.345 45.335 16.829 1.00 55.95 ? 191 ILE A O 1 ATOM 1433 C CB . ILE A 1 191 ? 2.686 42.555 18.706 1.00 55.28 ? 191 ILE A CB 1 ATOM 1434 C CG1 . ILE A 1 191 ? 3.173 42.138 20.102 1.00 71.22 ? 191 ILE A CG1 1 ATOM 1435 C CG2 . ILE A 1 191 ? 2.244 41.310 17.985 1.00 53.10 ? 191 ILE A CG2 1 ATOM 1436 C CD1 . ILE A 1 191 ? 3.878 43.245 20.953 1.00 74.56 ? 191 ILE A CD1 1 ATOM 1437 N N . ASP A 1 192 ? 3.603 45.398 19.059 1.00 51.59 ? 192 ASP A N 1 ATOM 1438 C CA . ASP A 1 192 ? 3.398 46.838 19.162 1.00 43.75 ? 192 ASP A CA 1 ATOM 1439 C C . ASP A 1 192 ? 4.491 47.484 20.010 1.00 44.19 ? 192 ASP A C 1 ATOM 1440 O O . ASP A 1 192 ? 5.373 46.789 20.523 1.00 49.32 ? 192 ASP A O 1 ATOM 1441 C CB . ASP A 1 192 ? 2.025 47.142 19.748 1.00 40.70 ? 192 ASP A CB 1 ATOM 1442 C CG . ASP A 1 192 ? 1.815 46.508 21.107 1.00 44.09 ? 192 ASP A CG 1 ATOM 1443 O OD1 . ASP A 1 192 ? 2.700 46.617 21.981 1.00 40.86 ? 192 ASP A OD1 1 ATOM 1444 O OD2 . ASP A 1 192 ? 0.740 45.910 21.308 1.00 47.07 ? 192 ASP A OD2 1 ATOM 1445 N N . HIS A 1 193 ? 4.383 48.794 20.219 1.00 39.62 ? 193 HIS A N 1 ATOM 1446 C CA . HIS A 1 193 ? 5.377 49.549 20.985 1.00 39.01 ? 193 HIS A CA 1 ATOM 1447 C C . HIS A 1 193 ? 5.174 49.611 22.514 1.00 39.43 ? 193 HIS A C 1 ATOM 1448 O O . HIS A 1 193 ? 5.875 50.353 23.209 1.00 37.35 ? 193 HIS A O 1 ATOM 1449 C CB . HIS A 1 193 ? 5.504 50.971 20.411 1.00 42.22 ? 193 HIS A CB 1 ATOM 1450 C CG . HIS A 1 193 ? 4.266 51.807 20.562 1.00 52.65 ? 193 HIS A CG 1 ATOM 1451 N ND1 . HIS A 1 193 ? 4.186 53.104 20.104 1.00 51.94 ? 193 HIS A ND1 1 ATOM 1452 C CD2 . HIS A 1 193 ? 3.072 51.543 21.149 1.00 55.85 ? 193 HIS A CD2 1 ATOM 1453 C CE1 . HIS A 1 193 ? 3.000 53.605 20.407 1.00 52.24 ? 193 HIS A CE1 1 ATOM 1454 N NE2 . HIS A 1 193 ? 2.306 52.679 21.042 1.00 52.60 ? 193 HIS A NE2 1 ATOM 1455 N N . THR A 1 194 ? 4.243 48.815 23.032 1.00 38.10 ? 194 THR A N 1 ATOM 1456 C CA . THR A 1 194 ? 3.955 48.811 24.464 1.00 36.46 ? 194 THR A CA 1 ATOM 1457 C C . THR A 1 194 ? 4.281 47.501 25.157 1.00 36.76 ? 194 THR A C 1 ATOM 1458 O O . THR A 1 194 ? 4.916 47.485 26.212 1.00 36.98 ? 194 THR A O 1 ATOM 1459 C CB . THR A 1 194 ? 2.466 49.077 24.727 1.00 32.02 ? 194 THR A CB 1 ATOM 1460 O OG1 . THR A 1 194 ? 2.090 50.313 24.119 1.00 37.44 ? 194 THR A OG1 1 ATOM 1461 C CG2 . THR A 1 194 ? 2.187 49.147 26.214 1.00 27.79 ? 194 THR A CG2 1 ATOM 1462 N N . HIS A 1 195 ? 3.774 46.419 24.574 1.00 31.29 ? 195 HIS A N 1 ATOM 1463 C CA . HIS A 1 195 ? 3.921 45.070 25.095 1.00 30.57 ? 195 HIS A CA 1 ATOM 1464 C C . HIS A 1 195 ? 5.257 44.416 24.764 1.00 31.15 ? 195 HIS A C 1 ATOM 1465 O O . HIS A 1 195 ? 5.536 44.107 23.609 1.00 37.97 ? 195 HIS A O 1 ATOM 1466 C CB . HIS A 1 195 ? 2.744 44.239 24.594 1.00 29.54 ? 195 HIS A CB 1 ATOM 1467 C CG . HIS A 1 195 ? 1.407 44.837 24.925 1.00 32.70 ? 195 HIS A CG 1 ATOM 1468 N ND1 . HIS A 1 195 ? 0.590 45.410 23.975 1.00 34.35 ? 195 HIS A ND1 1 ATOM 1469 C CD2 . HIS A 1 195 ? 0.741 44.938 26.099 1.00 37.98 ? 195 HIS A CD2 1 ATOM 1470 C CE1 . HIS A 1 195 ? -0.524 45.833 24.548 1.00 30.06 ? 195 HIS A CE1 1 ATOM 1471 N NE2 . HIS A 1 195 ? -0.458 45.559 25.837 1.00 34.85 ? 195 HIS A NE2 1 ATOM 1472 N N . THR A 1 196 ? 6.059 44.195 25.807 1.00 32.69 ? 196 THR A N 1 ATOM 1473 C CA . THR A 1 196 ? 7.398 43.617 25.727 1.00 32.50 ? 196 THR A CA 1 ATOM 1474 C C . THR A 1 196 ? 7.459 42.094 25.619 1.00 37.32 ? 196 THR A C 1 ATOM 1475 O O . THR A 1 196 ? 6.625 41.386 26.188 1.00 39.05 ? 196 THR A O 1 ATOM 1476 C CB . THR A 1 196 ? 8.212 44.015 26.972 1.00 31.17 ? 196 THR A CB 1 ATOM 1477 O OG1 . THR A 1 196 ? 7.499 43.625 28.153 1.00 37.52 ? 196 THR A OG1 1 ATOM 1478 C CG2 . THR A 1 196 ? 8.420 45.503 27.021 1.00 29.50 ? 196 THR A CG2 1 ATOM 1479 N N . SER A 1 197 ? 8.475 41.597 24.917 1.00 38.52 ? 197 SER A N 1 ATOM 1480 C CA . SER A 1 197 ? 8.685 40.163 24.781 1.00 37.18 ? 197 SER A CA 1 ATOM 1481 C C . SER A 1 197 ? 9.228 39.691 26.131 1.00 40.25 ? 197 SER A C 1 ATOM 1482 O O . SER A 1 197 ? 9.611 40.507 26.976 1.00 40.26 ? 197 SER A O 1 ATOM 1483 C CB . SER A 1 197 ? 9.712 39.874 23.676 1.00 37.34 ? 197 SER A CB 1 ATOM 1484 O OG . SER A 1 197 ? 11.011 40.355 23.996 1.00 37.66 ? 197 SER A OG 1 ATOM 1485 N N . PRO A 1 198 ? 9.210 38.377 26.377 1.00 39.08 ? 198 PRO A N 1 ATOM 1486 C CA . PRO A 1 198 ? 9.727 37.891 27.654 1.00 36.37 ? 198 PRO A CA 1 ATOM 1487 C C . PRO A 1 198 ? 11.119 38.461 27.932 1.00 36.61 ? 198 PRO A C 1 ATOM 1488 O O . PRO A 1 198 ? 11.382 38.971 29.019 1.00 37.28 ? 198 PRO A O 1 ATOM 1489 C CB . PRO A 1 198 ? 9.755 36.387 27.441 1.00 33.28 ? 198 PRO A CB 1 ATOM 1490 C CG . PRO A 1 198 ? 8.534 36.172 26.608 1.00 37.30 ? 198 PRO A CG 1 ATOM 1491 C CD . PRO A 1 198 ? 8.641 37.274 25.585 1.00 36.96 ? 198 PRO A CD 1 ATOM 1492 N N . ALA A 1 199 ? 11.979 38.461 26.919 1.00 33.91 ? 199 ALA A N 1 ATOM 1493 C CA . ALA A 1 199 ? 13.331 38.981 27.090 1.00 32.46 ? 199 ALA A CA 1 ATOM 1494 C C . ALA A 1 199 ? 13.316 40.434 27.545 1.00 32.51 ? 199 ALA A C 1 ATOM 1495 O O . ALA A 1 199 ? 14.094 40.824 28.408 1.00 37.95 ? 199 ALA A O 1 ATOM 1496 C CB . ALA A 1 199 ? 14.105 38.836 25.804 1.00 31.79 ? 199 ALA A CB 1 ATOM 1497 N N . GLY A 1 200 ? 12.418 41.228 26.970 1.00 34.88 ? 200 GLY A N 1 ATOM 1498 C CA . GLY A 1 200 ? 12.304 42.632 27.341 1.00 30.79 ? 200 GLY A CA 1 ATOM 1499 C C . GLY A 1 200 ? 11.714 42.824 28.731 1.00 32.72 ? 200 GLY A C 1 ATOM 1500 O O . GLY A 1 200 ? 12.157 43.687 29.498 1.00 30.97 ? 200 GLY A O 1 ATOM 1501 N N . ALA A 1 201 ? 10.711 42.016 29.060 1.00 29.59 ? 201 ALA A N 1 ATOM 1502 C CA . ALA A 1 201 ? 10.075 42.097 30.363 1.00 29.44 ? 201 ALA A CA 1 ATOM 1503 C C . ALA A 1 201 ? 11.106 41.894 31.483 1.00 32.34 ? 201 ALA A C 1 ATOM 1504 O O . ALA A 1 201 ? 11.028 42.550 32.524 1.00 36.30 ? 201 ALA A O 1 ATOM 1505 C CB . ALA A 1 201 ? 8.963 41.085 30.464 1.00 24.52 ? 201 ALA A CB 1 ATOM 1506 N N . GLU A 1 202 ? 12.096 41.028 31.254 1.00 26.97 ? 202 GLU A N 1 ATOM 1507 C CA . GLU A 1 202 ? 13.120 40.786 32.257 1.00 28.60 ? 202 GLU A CA 1 ATOM 1508 C C . GLU A 1 202 ? 13.951 42.026 32.511 1.00 31.48 ? 202 GLU A C 1 ATOM 1509 O O . GLU A 1 202 ? 14.190 42.396 33.662 1.00 35.41 ? 202 GLU A O 1 ATOM 1510 C CB . GLU A 1 202 ? 14.043 39.665 31.843 1.00 31.77 ? 202 GLU A CB 1 ATOM 1511 C CG . GLU A 1 202 ? 15.180 39.539 32.800 1.00 40.37 ? 202 GLU A CG 1 ATOM 1512 C CD . GLU A 1 202 ? 16.178 38.572 32.334 1.00 47.25 ? 202 GLU A CD 1 ATOM 1513 O OE1 . GLU A 1 202 ? 16.959 38.940 31.439 1.00 53.50 ? 202 GLU A OE1 1 ATOM 1514 O OE2 . GLU A 1 202 ? 16.179 37.440 32.855 1.00 61.22 ? 202 GLU A OE2 1 ATOM 1515 N N . VAL A 1 203 ? 14.413 42.639 31.427 1.00 31.81 ? 203 VAL A N 1 ATOM 1516 C CA . VAL A 1 203 ? 15.222 43.854 31.485 1.00 34.47 ? 203 VAL A CA 1 ATOM 1517 C C . VAL A 1 203 ? 14.480 44.963 32.240 1.00 37.38 ? 203 VAL A C 1 ATOM 1518 O O . VAL A 1 203 ? 15.057 45.666 33.083 1.00 39.81 ? 203 VAL A O 1 ATOM 1519 C CB . VAL A 1 203 ? 15.563 44.336 30.064 1.00 33.57 ? 203 VAL A CB 1 ATOM 1520 C CG1 . VAL A 1 203 ? 16.171 45.709 30.095 1.00 28.76 ? 203 VAL A CG1 1 ATOM 1521 C CG2 . VAL A 1 203 ? 16.514 43.369 29.412 1.00 30.88 ? 203 VAL A CG2 1 ATOM 1522 N N . VAL A 1 204 ? 13.194 45.107 31.935 1.00 35.57 ? 204 VAL A N 1 ATOM 1523 C CA . VAL A 1 204 ? 12.359 46.102 32.594 1.00 32.92 ? 204 VAL A CA 1 ATOM 1524 C C . VAL A 1 204 ? 12.275 45.805 34.096 1.00 34.78 ? 204 VAL A C 1 ATOM 1525 O O . VAL A 1 204 ? 12.272 46.727 34.913 1.00 36.38 ? 204 VAL A O 1 ATOM 1526 C CB . VAL A 1 204 ? 10.954 46.146 31.952 1.00 29.56 ? 204 VAL A CB 1 ATOM 1527 C CG1 . VAL A 1 204 ? 10.009 46.999 32.772 1.00 24.44 ? 204 VAL A CG1 1 ATOM 1528 C CG2 . VAL A 1 204 ? 11.064 46.690 30.537 1.00 24.96 ? 204 VAL A CG2 1 ATOM 1529 N N . ALA A 1 205 ? 12.257 44.521 34.456 1.00 32.11 ? 205 ALA A N 1 ATOM 1530 C CA . ALA A 1 205 ? 12.206 44.104 35.857 1.00 30.97 ? 205 ALA A CA 1 ATOM 1531 C C . ALA A 1 205 ? 13.526 44.462 36.542 1.00 34.62 ? 205 ALA A C 1 ATOM 1532 O O . ALA A 1 205 ? 13.538 45.029 37.640 1.00 37.28 ? 205 ALA A O 1 ATOM 1533 C CB . ALA A 1 205 ? 11.955 42.615 35.948 1.00 31.11 ? 205 ALA A CB 1 ATOM 1534 N N . GLU A 1 206 ? 14.632 44.155 35.865 1.00 32.29 ? 206 GLU A N 1 ATOM 1535 C CA . GLU A 1 206 ? 15.978 44.440 36.358 1.00 33.43 ? 206 GLU A CA 1 ATOM 1536 C C . GLU A 1 206 ? 16.128 45.929 36.587 1.00 32.91 ? 206 GLU A C 1 ATOM 1537 O O . GLU A 1 206 ? 16.767 46.366 37.541 1.00 34.61 ? 206 GLU A O 1 ATOM 1538 C CB . GLU A 1 206 ? 17.009 44.004 35.328 1.00 40.26 ? 206 GLU A CB 1 ATOM 1539 C CG . GLU A 1 206 ? 16.956 42.541 34.987 1.00 48.68 ? 206 GLU A CG 1 ATOM 1540 C CD . GLU A 1 206 ? 17.749 41.707 35.952 1.00 49.32 ? 206 GLU A CD 1 ATOM 1541 O OE1 . GLU A 1 206 ? 17.195 40.733 36.502 1.00 50.99 ? 206 GLU A OE1 1 ATOM 1542 O OE2 . GLU A 1 206 ? 18.940 42.026 36.151 1.00 55.33 ? 206 GLU A OE2 1 ATOM 1543 N N . ALA A 1 207 ? 15.533 46.700 35.685 1.00 33.56 ? 207 ALA A N 1 ATOM 1544 C CA . ALA A 1 207 ? 15.580 48.154 35.753 1.00 34.21 ? 207 ALA A CA 1 ATOM 1545 C C . ALA A 1 207 ? 14.942 48.637 37.040 1.00 31.73 ? 207 ALA A C 1 ATOM 1546 O O . ALA A 1 207 ? 15.440 49.563 37.674 1.00 37.12 ? 207 ALA A O 1 ATOM 1547 C CB . ALA A 1 207 ? 14.860 48.752 34.553 1.00 35.81 ? 207 ALA A CB 1 ATOM 1548 N N . PHE A 1 208 ? 13.841 47.994 37.423 1.00 32.90 ? 208 PHE A N 1 ATOM 1549 C CA . PHE A 1 208 ? 13.118 48.344 38.639 1.00 33.61 ? 208 PHE A CA 1 ATOM 1550 C C . PHE A 1 208 ? 13.974 48.084 39.865 1.00 36.08 ? 208 PHE A C 1 ATOM 1551 O O . PHE A 1 208 ? 14.078 48.927 40.757 1.00 34.57 ? 208 PHE A O 1 ATOM 1552 C CB . PHE A 1 208 ? 11.830 47.530 38.742 1.00 33.63 ? 208 PHE A CB 1 ATOM 1553 C CG . PHE A 1 208 ? 11.002 47.858 39.955 1.00 37.11 ? 208 PHE A CG 1 ATOM 1554 C CD1 . PHE A 1 208 ? 10.280 49.048 40.024 1.00 31.01 ? 208 PHE A CD1 1 ATOM 1555 C CD2 . PHE A 1 208 ? 10.952 46.984 41.035 1.00 37.50 ? 208 PHE A CD2 1 ATOM 1556 C CE1 . PHE A 1 208 ? 9.524 49.359 41.153 1.00 35.76 ? 208 PHE A CE1 1 ATOM 1557 C CE2 . PHE A 1 208 ? 10.195 47.289 42.169 1.00 34.30 ? 208 PHE A CE2 1 ATOM 1558 C CZ . PHE A 1 208 ? 9.481 48.478 42.226 1.00 31.55 ? 208 PHE A CZ 1 ATOM 1559 N N . LEU A 1 209 ? 14.574 46.903 39.912 1.00 36.25 ? 209 LEU A N 1 ATOM 1560 C CA . LEU A 1 209 ? 15.427 46.530 41.029 1.00 34.58 ? 209 LEU A CA 1 ATOM 1561 C C . LEU A 1 209 ? 16.661 47.427 41.124 1.00 36.31 ? 209 LEU A C 1 ATOM 1562 O O . LEU A 1 209 ? 17.163 47.672 42.214 1.00 40.39 ? 209 LEU A O 1 ATOM 1563 C CB . LEU A 1 209 ? 15.816 45.057 40.924 1.00 30.54 ? 209 LEU A CB 1 ATOM 1564 C CG . LEU A 1 209 ? 14.602 44.128 41.049 1.00 34.03 ? 209 LEU A CG 1 ATOM 1565 C CD1 . LEU A 1 209 ? 14.964 42.685 40.772 1.00 32.60 ? 209 LEU A CD1 1 ATOM 1566 C CD2 . LEU A 1 209 ? 14.007 44.274 42.423 1.00 31.78 ? 209 LEU A CD2 1 ATOM 1567 N N . LYS A 1 210 ? 17.136 47.933 39.989 1.00 37.65 ? 210 LYS A N 1 ATOM 1568 C CA . LYS A 1 210 ? 18.293 48.825 39.973 1.00 36.51 ? 210 LYS A CA 1 ATOM 1569 C C . LYS A 1 210 ? 17.884 50.152 40.598 1.00 38.11 ? 210 LYS A C 1 ATOM 1570 O O . LYS A 1 210 ? 18.663 50.787 41.305 1.00 44.44 ? 210 LYS A O 1 ATOM 1571 C CB . LYS A 1 210 ? 18.771 49.070 38.541 1.00 36.97 ? 210 LYS A CB 1 ATOM 1572 C CG . LYS A 1 210 ? 20.018 49.940 38.431 1.00 38.57 ? 210 LYS A CG 1 ATOM 1573 C CD . LYS A 1 210 ? 21.223 49.282 39.104 1.00 35.27 ? 210 LYS A CD 1 ATOM 1574 C CE . LYS A 1 210 ? 22.495 50.089 38.903 1.00 36.70 ? 210 LYS A CE 1 ATOM 1575 N NZ . LYS A 1 210 ? 23.696 49.420 39.478 1.00 41.01 ? 210 LYS A NZ 1 ATOM 1576 N N . ALA A 1 211 ? 16.655 50.568 40.318 1.00 38.77 ? 211 ALA A N 1 ATOM 1577 C CA . ALA A 1 211 ? 16.113 51.810 40.853 1.00 39.82 ? 211 ALA A CA 1 ATOM 1578 C C . ALA A 1 211 ? 15.961 51.700 42.372 1.00 41.52 ? 211 ALA A C 1 ATOM 1579 O O . ALA A 1 211 ? 16.312 52.624 43.112 1.00 43.39 ? 211 ALA A O 1 ATOM 1580 C CB . ALA A 1 211 ? 14.778 52.094 40.214 1.00 38.14 ? 211 ALA A CB 1 ATOM 1581 N N . VAL A 1 212 ? 15.416 50.570 42.821 1.00 41.32 ? 212 VAL A N 1 ATOM 1582 C CA . VAL A 1 212 ? 15.209 50.283 44.243 1.00 36.93 ? 212 VAL A CA 1 ATOM 1583 C C . VAL A 1 212 ? 16.534 50.435 44.979 1.00 38.88 ? 212 VAL A C 1 ATOM 1584 O O . VAL A 1 212 ? 16.655 51.235 45.905 1.00 42.95 ? 212 VAL A O 1 ATOM 1585 C CB . VAL A 1 212 ? 14.653 48.839 44.431 1.00 36.94 ? 212 VAL A CB 1 ATOM 1586 C CG1 . VAL A 1 212 ? 14.721 48.400 45.874 1.00 31.87 ? 212 VAL A CG1 1 ATOM 1587 C CG2 . VAL A 1 212 ? 13.228 48.769 43.936 1.00 33.29 ? 212 VAL A CG2 1 ATOM 1588 N N . VAL A 1 213 ? 17.544 49.713 44.514 1.00 37.24 ? 213 VAL A N 1 ATOM 1589 C CA . VAL A 1 213 ? 18.862 49.775 45.123 1.00 40.44 ? 213 VAL A CA 1 ATOM 1590 C C . VAL A 1 213 ? 19.416 51.202 45.138 1.00 42.89 ? 213 VAL A C 1 ATOM 1591 O O . VAL A 1 213 ? 19.813 51.701 46.191 1.00 46.41 ? 213 VAL A O 1 ATOM 1592 C CB . VAL A 1 213 ? 19.865 48.842 44.395 1.00 43.00 ? 213 VAL A CB 1 ATOM 1593 C CG1 . VAL A 1 213 ? 21.265 49.068 44.912 1.00 47.00 ? 213 VAL A CG1 1 ATOM 1594 C CG2 . VAL A 1 213 ? 19.477 47.385 44.593 1.00 39.99 ? 213 VAL A CG2 1 ATOM 1595 N N . CYS A 1 214 ? 19.410 51.858 43.977 1.00 42.61 ? 214 CYS A N 1 ATOM 1596 C CA . CYS A 1 214 ? 19.941 53.215 43.840 1.00 42.57 ? 214 CYS A CA 1 ATOM 1597 C C . CYS A 1 214 ? 19.247 54.307 44.634 1.00 44.96 ? 214 CYS A C 1 ATOM 1598 O O . CYS A 1 214 ? 19.893 55.260 45.079 1.00 47.84 ? 214 CYS A O 1 ATOM 1599 C CB . CYS A 1 214 ? 19.995 53.624 42.373 1.00 41.96 ? 214 CYS A CB 1 ATOM 1600 S SG . CYS A 1 214 ? 21.206 52.682 41.406 1.00 46.73 ? 214 CYS A SG 1 ATOM 1601 N N . THR A 1 215 ? 17.933 54.199 44.787 1.00 48.18 ? 215 THR A N 1 ATOM 1602 C CA . THR A 1 215 ? 17.192 55.218 45.523 1.00 48.60 ? 215 THR A CA 1 ATOM 1603 C C . THR A 1 215 ? 17.078 54.878 47.005 1.00 47.14 ? 215 THR A C 1 ATOM 1604 O O . THR A 1 215 ? 16.728 55.729 47.821 1.00 44.57 ? 215 THR A O 1 ATOM 1605 C CB . THR A 1 215 ? 15.799 55.446 44.913 1.00 45.43 ? 215 THR A CB 1 ATOM 1606 O OG1 . THR A 1 215 ? 14.972 54.307 45.168 1.00 55.98 ? 215 THR A OG1 1 ATOM 1607 C CG2 . THR A 1 215 ? 15.921 55.631 43.414 1.00 47.04 ? 215 THR A CG2 1 ATOM 1608 N N . GLY A 1 216 ? 17.391 53.634 47.348 1.00 44.11 ? 216 GLY A N 1 ATOM 1609 C CA . GLY A 1 216 ? 17.336 53.216 48.736 1.00 45.23 ? 216 GLY A CA 1 ATOM 1610 C C . GLY A 1 216 ? 15.944 52.873 49.226 1.00 46.43 ? 216 GLY A C 1 ATOM 1611 O O . GLY A 1 216 ? 15.649 52.993 50.416 1.00 51.42 ? 216 GLY A O 1 ATOM 1612 N N . THR A 1 217 ? 15.095 52.427 48.309 1.00 44.70 ? 217 THR A N 1 ATOM 1613 C CA . THR A 1 217 ? 13.724 52.051 48.629 1.00 45.62 ? 217 THR A CA 1 ATOM 1614 C C . THR A 1 217 ? 13.692 50.919 49.662 1.00 46.82 ? 217 THR A C 1 ATOM 1615 O O . THR A 1 217 ? 14.500 49.987 49.599 1.00 50.66 ? 217 THR A O 1 ATOM 1616 C CB . THR A 1 217 ? 12.974 51.656 47.338 1.00 44.26 ? 217 THR A CB 1 ATOM 1617 O OG1 . THR A 1 217 ? 12.952 52.785 46.456 1.00 42.73 ? 217 THR A OG1 1 ATOM 1618 C CG2 . THR A 1 217 ? 11.550 51.231 47.627 1.00 39.80 ? 217 THR A CG2 1 ATOM 1619 N N . SER A 1 218 ? 12.760 51.015 50.611 1.00 43.76 ? 218 SER A N 1 ATOM 1620 C CA . SER A 1 218 ? 12.610 50.034 51.688 1.00 46.18 ? 218 SER A CA 1 ATOM 1621 C C . SER A 1 218 ? 12.617 48.572 51.250 1.00 46.65 ? 218 SER A C 1 ATOM 1622 O O . SER A 1 218 ? 13.008 47.689 52.014 1.00 48.80 ? 218 SER A O 1 ATOM 1623 C CB . SER A 1 218 ? 11.326 50.305 52.474 1.00 46.95 ? 218 SER A CB 1 ATOM 1624 O OG . SER A 1 218 ? 10.179 50.026 51.687 1.00 42.72 ? 218 SER A OG 1 ATOM 1625 N N . LEU A 1 219 ? 12.161 48.322 50.032 1.00 45.20 ? 219 LEU A N 1 ATOM 1626 C CA . LEU A 1 219 ? 12.108 46.970 49.504 1.00 42.28 ? 219 LEU A CA 1 ATOM 1627 C C . LEU A 1 219 ? 13.481 46.320 49.401 1.00 42.29 ? 219 LEU A C 1 ATOM 1628 O O . LEU A 1 219 ? 13.569 45.102 49.269 1.00 43.41 ? 219 LEU A O 1 ATOM 1629 C CB . LEU A 1 219 ? 11.433 46.970 48.127 1.00 39.48 ? 219 LEU A CB 1 ATOM 1630 C CG . LEU A 1 219 ? 11.143 45.631 47.442 1.00 37.95 ? 219 LEU A CG 1 ATOM 1631 C CD1 . LEU A 1 219 ? 10.122 44.807 48.208 1.00 27.41 ? 219 LEU A CD1 1 ATOM 1632 C CD2 . LEU A 1 219 ? 10.629 45.930 46.056 1.00 41.39 ? 219 LEU A CD2 1 ATOM 1633 N N . LYS A 1 220 ? 14.551 47.109 49.486 1.00 41.55 ? 220 LYS A N 1 ATOM 1634 C CA . LYS A 1 220 ? 15.893 46.541 49.372 1.00 47.64 ? 220 LYS A CA 1 ATOM 1635 C C . LYS A 1 220 ? 16.202 45.503 50.452 1.00 47.91 ? 220 LYS A C 1 ATOM 1636 O O . LYS A 1 220 ? 16.978 44.574 50.226 1.00 51.13 ? 220 LYS A O 1 ATOM 1637 C CB . LYS A 1 220 ? 16.950 47.641 49.321 1.00 50.93 ? 220 LYS A CB 1 ATOM 1638 C CG . LYS A 1 220 ? 17.035 48.503 50.544 1.00 59.57 ? 220 LYS A CG 1 ATOM 1639 C CD . LYS A 1 220 ? 17.892 49.732 50.260 1.00 73.25 ? 220 LYS A CD 1 ATOM 1640 C CE . LYS A 1 220 ? 19.291 49.391 49.757 1.00 80.40 ? 220 LYS A CE 1 ATOM 1641 N NZ . LYS A 1 220 ? 20.166 50.609 49.657 1.00 79.55 ? 220 LYS A NZ 1 ATOM 1642 N N . SER A 1 221 ? 15.506 45.614 51.582 1.00 49.43 ? 221 SER A N 1 ATOM 1643 C CA . SER A 1 221 ? 15.657 44.707 52.716 1.00 50.26 ? 221 SER A CA 1 ATOM 1644 C C . SER A 1 221 ? 15.441 43.240 52.343 1.00 53.41 ? 221 SER A C 1 ATOM 1645 O O . SER A 1 221 ? 16.065 42.351 52.929 1.00 58.06 ? 221 SER A O 1 ATOM 1646 C CB . SER A 1 221 ? 14.668 45.082 53.823 1.00 51.15 ? 221 SER A CB 1 ATOM 1647 O OG . SER A 1 221 ? 14.793 46.445 54.189 1.00 58.58 ? 221 SER A OG 1 ATOM 1648 N N . VAL A 1 222 ? 14.566 42.984 51.372 1.00 50.86 ? 222 VAL A N 1 ATOM 1649 C CA . VAL A 1 222 ? 14.273 41.610 50.955 1.00 47.84 ? 222 VAL A CA 1 ATOM 1650 C C . VAL A 1 222 ? 14.949 41.154 49.657 1.00 46.90 ? 222 VAL A C 1 ATOM 1651 O O . VAL A 1 222 ? 14.612 40.098 49.104 1.00 44.42 ? 222 VAL A O 1 ATOM 1652 C CB . VAL A 1 222 ? 12.745 41.355 50.881 1.00 47.41 ? 222 VAL A CB 1 ATOM 1653 C CG1 . VAL A 1 222 ? 12.135 41.447 52.272 1.00 47.67 ? 222 VAL A CG1 1 ATOM 1654 C CG2 . VAL A 1 222 ? 12.076 42.349 49.949 1.00 42.51 ? 222 VAL A CG2 1 ATOM 1655 N N . LEU A 1 223 ? 15.919 41.941 49.200 1.00 44.99 ? 223 LEU A N 1 ATOM 1656 C CA . LEU A 1 223 ? 16.678 41.649 47.987 1.00 46.02 ? 223 LEU A CA 1 ATOM 1657 C C . LEU A 1 223 ? 17.719 40.572 48.290 1.00 49.31 ? 223 LEU A C 1 ATOM 1658 O O . LEU A 1 223 ? 18.419 40.663 49.301 1.00 49.31 ? 223 LEU A O 1 ATOM 1659 C CB . LEU A 1 223 ? 17.398 42.920 47.538 1.00 42.04 ? 223 LEU A CB 1 ATOM 1660 C CG . LEU A 1 223 ? 17.066 43.558 46.198 1.00 40.48 ? 223 LEU A CG 1 ATOM 1661 C CD1 . LEU A 1 223 ? 15.576 43.555 45.951 1.00 40.43 ? 223 LEU A CD1 1 ATOM 1662 C CD2 . LEU A 1 223 ? 17.610 44.965 46.208 1.00 39.16 ? 223 LEU A CD2 1 ATOM 1663 N N . THR A 1 224 ? 17.830 39.560 47.429 1.00 46.13 ? 224 THR A N 1 ATOM 1664 C CA . THR A 1 224 ? 18.810 38.494 47.647 1.00 47.20 ? 224 THR A CA 1 ATOM 1665 C C . THR A 1 224 ? 20.166 38.824 47.017 1.00 50.51 ? 224 THR A C 1 ATOM 1666 O O . THR A 1 224 ? 21.149 38.107 47.235 1.00 54.99 ? 224 THR A O 1 ATOM 1667 C CB . THR A 1 224 ? 18.340 37.126 47.104 1.00 45.87 ? 224 THR A CB 1 ATOM 1668 O OG1 . THR A 1 224 ? 18.294 37.166 45.675 1.00 50.86 ? 224 THR A OG1 1 ATOM 1669 C CG2 . THR A 1 224 ? 16.976 36.768 47.640 1.00 47.87 ? 224 THR A CG2 1 ATOM 1670 N N . THR A 1 225 ? 20.214 39.896 46.227 1.00 51.32 ? 225 THR A N 1 ATOM 1671 C CA . THR A 1 225 ? 21.448 40.330 45.574 1.00 51.93 ? 225 THR A CA 1 ATOM 1672 C C . THR A 1 225 ? 21.303 41.770 45.141 1.00 52.63 ? 225 THR A C 1 ATOM 1673 O O . THR A 1 225 ? 20.188 42.256 45.009 1.00 56.35 ? 225 THR A O 1 ATOM 1674 C CB . THR A 1 225 ? 21.782 39.482 44.335 1.00 54.35 ? 225 THR A CB 1 ATOM 1675 O OG1 . THR A 1 225 ? 22.958 40.011 43.712 1.00 54.85 ? 225 THR A OG1 1 ATOM 1676 C CG2 . THR A 1 225 ? 20.624 39.483 43.342 1.00 48.07 ? 225 THR A CG2 1 ATOM 1677 N N . THR A 1 226 ? 22.426 42.448 44.915 1.00 53.88 ? 226 THR A N 1 ATOM 1678 C CA . THR A 1 226 ? 22.404 43.853 44.492 1.00 56.98 ? 226 THR A CA 1 ATOM 1679 C C . THR A 1 226 ? 23.237 44.074 43.226 1.00 58.77 ? 226 THR A C 1 ATOM 1680 O O . THR A 1 226 ? 23.624 45.201 42.909 1.00 60.45 ? 226 THR A O 1 ATOM 1681 C CB . THR A 1 226 ? 22.939 44.783 45.609 1.00 60.88 ? 226 THR A CB 1 ATOM 1682 O OG1 . THR A 1 226 ? 24.262 44.378 45.975 1.00 65.80 ? 226 THR A OG1 1 ATOM 1683 C CG2 . THR A 1 226 ? 22.052 44.716 46.844 1.00 60.27 ? 226 THR A CG2 1 ATOM 1684 N N . SER A 1 227 ? 23.484 42.994 42.494 1.00 62.05 ? 227 SER A N 1 ATOM 1685 C CA . SER A 1 227 ? 24.283 43.052 41.277 1.00 61.98 ? 227 SER A CA 1 ATOM 1686 C C . SER A 1 227 ? 23.431 43.174 40.018 1.00 59.47 ? 227 SER A C 1 ATOM 1687 O O . SER A 1 227 ? 23.262 42.196 39.287 1.00 61.75 ? 227 SER A O 1 ATOM 1688 C CB . SER A 1 227 ? 25.169 41.807 41.196 1.00 65.55 ? 227 SER A CB 1 ATOM 1689 O OG . SER A 1 227 ? 25.913 41.651 42.394 1.00 68.59 ? 227 SER A OG 1 ATOM 1690 N N . PHE A 1 228 ? 22.941 44.386 39.745 1.00 53.87 ? 228 PHE A N 1 ATOM 1691 C CA . PHE A 1 228 ? 22.097 44.645 38.573 1.00 49.37 ? 228 PHE A CA 1 ATOM 1692 C C . PHE A 1 228 ? 22.733 45.598 37.566 1.00 48.21 ? 228 PHE A C 1 ATOM 1693 O O . PHE A 1 228 ? 23.518 46.466 37.951 1.00 47.56 ? 228 PHE A O 1 ATOM 1694 C CB . PHE A 1 228 ? 20.751 45.189 39.023 1.00 40.44 ? 228 PHE A CB 1 ATOM 1695 C CG . PHE A 1 228 ? 20.042 44.295 39.985 1.00 36.84 ? 228 PHE A CG 1 ATOM 1696 C CD1 . PHE A 1 228 ? 19.902 44.661 41.312 1.00 39.53 ? 228 PHE A CD1 1 ATOM 1697 C CD2 . PHE A 1 228 ? 19.513 43.080 39.568 1.00 37.65 ? 228 PHE A CD2 1 ATOM 1698 C CE1 . PHE A 1 228 ? 19.242 43.827 42.215 1.00 36.05 ? 228 PHE A CE1 1 ATOM 1699 C CE2 . PHE A 1 228 ? 18.855 42.245 40.463 1.00 37.95 ? 228 PHE A CE2 1 ATOM 1700 C CZ . PHE A 1 228 ? 18.719 42.619 41.786 1.00 34.69 ? 228 PHE A CZ 1 ATOM 1701 N N . GLU A 1 229 ? 22.352 45.466 36.293 1.00 48.86 ? 229 GLU A N 1 ATOM 1702 C CA . GLU A 1 229 ? 22.910 46.300 35.227 1.00 55.45 ? 229 GLU A CA 1 ATOM 1703 C C . GLU A 1 229 ? 22.641 47.804 35.312 1.00 53.98 ? 229 GLU A C 1 ATOM 1704 O O . GLU A 1 229 ? 21.737 48.247 36.008 1.00 54.72 ? 229 GLU A O 1 ATOM 1705 C CB . GLU A 1 229 ? 22.463 45.793 33.857 1.00 64.95 ? 229 GLU A CB 1 ATOM 1706 C CG . GLU A 1 229 ? 21.002 46.043 33.545 1.00 78.04 ? 229 GLU A CG 1 ATOM 1707 C CD . GLU A 1 229 ? 20.700 46.060 32.046 1.00 89.27 ? 229 GLU A CD 1 ATOM 1708 O OE1 . GLU A 1 229 ? 21.637 46.246 31.234 1.00 91.93 ? 229 GLU A OE1 1 ATOM 1709 O OE2 . GLU A 1 229 ? 19.517 45.895 31.675 1.00 90.31 ? 229 GLU A OE2 1 ATOM 1710 N N . GLY A 1 230 ? 23.437 48.571 34.568 1.00 53.75 ? 230 GLY A N 1 ATOM 1711 C CA . GLY A 1 230 ? 23.290 50.015 34.529 1.00 56.97 ? 230 GLY A CA 1 ATOM 1712 C C . GLY A 1 230 ? 23.974 50.734 35.673 1.00 58.15 ? 230 GLY A C 1 ATOM 1713 O O . GLY A 1 230 ? 24.705 50.113 36.442 1.00 57.65 ? 230 GLY A O 1 ATOM 1714 N N . THR A 1 231 ? 23.791 52.053 35.742 1.00 58.28 ? 231 THR A N 1 ATOM 1715 C CA . THR A 1 231 ? 24.367 52.867 36.812 1.00 55.92 ? 231 THR A CA 1 ATOM 1716 C C . THR A 1 231 ? 23.228 53.687 37.437 1.00 55.91 ? 231 THR A C 1 ATOM 1717 O O . THR A 1 231 ? 22.167 53.838 36.827 1.00 59.28 ? 231 THR A O 1 ATOM 1718 C CB . THR A 1 231 ? 25.490 53.803 36.295 1.00 56.86 ? 231 THR A CB 1 ATOM 1719 O OG1 . THR A 1 231 ? 24.918 54.921 35.610 1.00 60.13 ? 231 THR A OG1 1 ATOM 1720 C CG2 . THR A 1 231 ? 26.405 53.064 35.336 1.00 55.42 ? 231 THR A CG2 1 ATOM 1721 N N . CYS A 1 232 ? 23.446 54.208 38.644 1.00 53.67 ? 232 CYS A N 1 ATOM 1722 C CA . CYS A 1 232 ? 22.428 54.981 39.358 1.00 52.75 ? 232 CYS A CA 1 ATOM 1723 C C . CYS A 1 232 ? 22.038 56.292 38.701 1.00 54.40 ? 232 CYS A C 1 ATOM 1724 O O . CYS A 1 232 ? 22.880 56.983 38.130 1.00 50.60 ? 232 CYS A O 1 ATOM 1725 C CB . CYS A 1 232 ? 22.835 55.197 40.811 1.00 49.79 ? 232 CYS A CB 1 ATOM 1726 S SG . CYS A 1 232 ? 22.969 53.636 41.739 1.00 44.31 ? 232 CYS A SG 1 ATOM 1727 N N . LEU A 1 233 ? 20.756 56.632 38.846 1.00 59.85 ? 233 LEU A N 1 ATOM 1728 C CA . LEU A 1 233 ? 20.126 57.810 38.247 1.00 63.30 ? 233 LEU A CA 1 ATOM 1729 C C . LEU A 1 233 ? 19.779 57.468 36.787 1.00 67.73 ? 233 LEU A C 1 ATOM 1730 O O . LEU A 1 233 ? 20.683 57.498 35.925 1.00 67.59 ? 233 LEU A O 1 ATOM 1731 C CB . LEU A 1 233 ? 21.015 59.058 38.315 1.00 56.69 ? 233 LEU A CB 1 ATOM 1732 C CG . LEU A 1 233 ? 21.154 59.787 39.644 1.00 59.77 ? 233 LEU A CG 1 ATOM 1733 C CD1 . LEU A 1 233 ? 21.995 61.034 39.413 1.00 62.84 ? 233 LEU A CD1 1 ATOM 1734 C CD2 . LEU A 1 233 ? 19.787 60.165 40.193 1.00 57.86 ? 233 LEU A CD2 1 ATOM 1735 O OXT . LEU A 1 233 ? 18.610 57.111 36.517 1.00 67.27 ? 233 LEU A OXT 1 ATOM 1736 N N . THR B 1 1 ? -12.013 79.901 9.318 1.00 58.27 ? 1 THR B N 1 ATOM 1737 C CA . THR B 1 1 ? -12.206 78.464 8.990 1.00 55.19 ? 1 THR B CA 1 ATOM 1738 C C . THR B 1 1 ? -11.006 77.650 9.437 1.00 55.72 ? 1 THR B C 1 ATOM 1739 O O . THR B 1 1 ? -9.868 78.126 9.422 1.00 55.71 ? 1 THR B O 1 ATOM 1740 C CB . THR B 1 1 ? -12.395 78.256 7.484 1.00 53.33 ? 1 THR B CB 1 ATOM 1741 O OG1 . THR B 1 1 ? -13.502 79.039 7.039 1.00 59.93 ? 1 THR B OG1 1 ATOM 1742 C CG2 . THR B 1 1 ? -12.690 76.804 7.176 1.00 53.75 ? 1 THR B CG2 1 ATOM 1743 N N . THR B 1 2 ? -11.272 76.412 9.831 1.00 53.64 ? 2 THR B N 1 ATOM 1744 C CA . THR B 1 2 ? -10.222 75.521 10.283 1.00 51.18 ? 2 THR B CA 1 ATOM 1745 C C . THR B 1 2 ? -10.236 74.220 9.507 1.00 48.77 ? 2 THR B C 1 ATOM 1746 O O . THR B 1 2 ? -11.278 73.762 9.038 1.00 43.68 ? 2 THR B O 1 ATOM 1747 C CB . THR B 1 2 ? -10.367 75.196 11.772 1.00 48.55 ? 2 THR B CB 1 ATOM 1748 O OG1 . THR B 1 2 ? -10.600 76.410 12.498 1.00 54.16 ? 2 THR B OG1 1 ATOM 1749 C CG2 . THR B 1 2 ? -9.101 74.533 12.294 1.00 37.91 ? 2 THR B CG2 1 ATOM 1750 N N . VAL B 1 3 ? -9.056 73.640 9.361 1.00 45.02 ? 3 VAL B N 1 ATOM 1751 C CA . VAL B 1 3 ? -8.908 72.383 8.660 1.00 46.61 ? 3 VAL B CA 1 ATOM 1752 C C . VAL B 1 3 ? -8.229 71.383 9.585 1.00 46.78 ? 3 VAL B C 1 ATOM 1753 O O . VAL B 1 3 ? -7.123 71.621 10.084 1.00 46.94 ? 3 VAL B O 1 ATOM 1754 C CB . VAL B 1 3 ? -8.099 72.559 7.354 1.00 45.58 ? 3 VAL B CB 1 ATOM 1755 C CG1 . VAL B 1 3 ? -7.738 71.209 6.757 1.00 49.26 ? 3 VAL B CG1 1 ATOM 1756 C CG2 . VAL B 1 3 ? -8.914 73.344 6.353 1.00 44.19 ? 3 VAL B CG2 1 ATOM 1757 N N . TYR B 1 4 ? -8.933 70.291 9.865 1.00 40.71 ? 4 TYR B N 1 ATOM 1758 C CA . TYR B 1 4 ? -8.391 69.255 10.720 1.00 37.79 ? 4 TYR B CA 1 ATOM 1759 C C . TYR B 1 4 ? -7.944 68.102 9.861 1.00 37.10 ? 4 TYR B C 1 ATOM 1760 O O . TYR B 1 4 ? -8.651 67.681 8.951 1.00 40.66 ? 4 TYR B O 1 ATOM 1761 C CB . TYR B 1 4 ? -9.431 68.793 11.731 1.00 35.81 ? 4 TYR B CB 1 ATOM 1762 C CG . TYR B 1 4 ? -9.819 69.873 12.698 1.00 38.84 ? 4 TYR B CG 1 ATOM 1763 C CD1 . TYR B 1 4 ? -10.886 70.723 12.423 1.00 39.21 ? 4 TYR B CD1 1 ATOM 1764 C CD2 . TYR B 1 4 ? -9.101 70.068 13.874 1.00 42.47 ? 4 TYR B CD2 1 ATOM 1765 C CE1 . TYR B 1 4 ? -11.232 71.748 13.295 1.00 42.39 ? 4 TYR B CE1 1 ATOM 1766 C CE2 . TYR B 1 4 ? -9.434 71.090 14.758 1.00 43.00 ? 4 TYR B CE2 1 ATOM 1767 C CZ . TYR B 1 4 ? -10.502 71.927 14.460 1.00 45.29 ? 4 TYR B CZ 1 ATOM 1768 O OH . TYR B 1 4 ? -10.840 72.948 15.323 1.00 47.57 ? 4 TYR B OH 1 ATOM 1769 N N . LEU B 1 5 ? -6.732 67.639 10.126 1.00 34.54 ? 5 LEU B N 1 ATOM 1770 C CA . LEU B 1 5 ? -6.152 66.529 9.403 1.00 31.78 ? 5 LEU B CA 1 ATOM 1771 C C . LEU B 1 5 ? -6.106 65.305 10.306 1.00 34.14 ? 5 LEU B C 1 ATOM 1772 O O . LEU B 1 5 ? -5.633 65.377 11.436 1.00 37.03 ? 5 LEU B O 1 ATOM 1773 C CB . LEU B 1 5 ? -4.738 66.885 8.964 1.00 33.21 ? 5 LEU B CB 1 ATOM 1774 C CG . LEU B 1 5 ? -4.594 68.120 8.080 1.00 32.72 ? 5 LEU B CG 1 ATOM 1775 C CD1 . LEU B 1 5 ? -3.129 68.391 7.852 1.00 28.42 ? 5 LEU B CD1 1 ATOM 1776 C CD2 . LEU B 1 5 ? -5.305 67.909 6.760 1.00 34.80 ? 5 LEU B CD2 1 ATOM 1777 N N . ALA B 1 6 ? -6.629 64.189 9.817 1.00 34.18 ? 6 ALA B N 1 ATOM 1778 C CA . ALA B 1 6 ? -6.616 62.939 10.564 1.00 30.92 ? 6 ALA B CA 1 ATOM 1779 C C . ALA B 1 6 ? -5.882 61.966 9.662 1.00 31.43 ? 6 ALA B C 1 ATOM 1780 O O . ALA B 1 6 ? -6.247 61.805 8.500 1.00 37.17 ? 6 ALA B O 1 ATOM 1781 C CB . ALA B 1 6 ? -8.025 62.463 10.818 1.00 28.29 ? 6 ALA B CB 1 ATOM 1782 N N . GLY B 1 7 ? -4.810 61.370 10.173 1.00 30.29 ? 7 GLY B N 1 ATOM 1783 C CA . GLY B 1 7 ? -4.035 60.443 9.370 1.00 25.92 ? 7 GLY B CA 1 ATOM 1784 C C . GLY B 1 7 ? -2.948 59.781 10.185 1.00 29.52 ? 7 GLY B C 1 ATOM 1785 O O . GLY B 1 7 ? -3.018 59.783 11.410 1.00 31.58 ? 7 GLY B O 1 ATOM 1786 N N . ASP B 1 8 ? -1.946 59.214 9.519 1.00 26.43 ? 8 ASP B N 1 ATOM 1787 C CA . ASP B 1 8 ? -0.867 58.549 10.227 1.00 21.64 ? 8 ASP B CA 1 ATOM 1788 C C . ASP B 1 8 ? 0.488 59.221 10.048 1.00 25.19 ? 8 ASP B C 1 ATOM 1789 O O . ASP B 1 8 ? 0.557 60.424 9.808 1.00 25.80 ? 8 ASP B O 1 ATOM 1790 C CB . ASP B 1 8 ? -0.819 57.054 9.877 1.00 27.85 ? 8 ASP B CB 1 ATOM 1791 C CG . ASP B 1 8 ? -0.860 56.778 8.375 1.00 30.29 ? 8 ASP B CG 1 ATOM 1792 O OD1 . ASP B 1 8 ? -0.206 57.512 7.614 1.00 26.08 ? 8 ASP B OD1 1 ATOM 1793 O OD2 . ASP B 1 8 ? -1.526 55.793 7.965 1.00 32.93 ? 8 ASP B OD2 1 ATOM 1794 N N . SER B 1 9 ? 1.563 58.448 10.173 1.00 22.34 ? 9 SER B N 1 ATOM 1795 C CA . SER B 1 9 ? 2.909 58.988 10.050 1.00 28.72 ? 9 SER B CA 1 ATOM 1796 C C . SER B 1 9 ? 3.260 59.598 8.694 1.00 31.57 ? 9 SER B C 1 ATOM 1797 O O . SER B 1 9 ? 4.266 60.293 8.564 1.00 39.01 ? 9 SER B O 1 ATOM 1798 C CB . SER B 1 9 ? 3.927 57.914 10.393 1.00 32.32 ? 9 SER B CB 1 ATOM 1799 O OG . SER B 1 9 ? 3.785 56.811 9.527 1.00 41.63 ? 9 SER B OG 1 ATOM 1800 N N . THR B 1 10 ? 2.464 59.321 7.669 1.00 32.44 ? 10 THR B N 1 ATOM 1801 C CA . THR B 1 10 ? 2.748 59.875 6.352 1.00 29.02 ? 10 THR B CA 1 ATOM 1802 C C . THR B 1 10 ? 2.163 61.259 6.246 1.00 31.14 ? 10 THR B C 1 ATOM 1803 O O . THR B 1 10 ? 2.441 61.977 5.288 1.00 41.47 ? 10 THR B O 1 ATOM 1804 C CB . THR B 1 10 ? 2.160 59.021 5.218 1.00 27.81 ? 10 THR B CB 1 ATOM 1805 O OG1 . THR B 1 10 ? 0.736 58.948 5.356 1.00 25.90 ? 10 THR B OG1 1 ATOM 1806 C CG2 . THR B 1 10 ? 2.752 57.632 5.239 1.00 21.07 ? 10 THR B CG2 1 ATOM 1807 N N . MET B 1 11 ? 1.353 61.632 7.231 1.00 28.27 ? 11 MET B N 1 ATOM 1808 C CA . MET B 1 11 ? 0.706 62.934 7.243 1.00 26.94 ? 11 MET B CA 1 ATOM 1809 C C . MET B 1 11 ? 1.127 63.762 8.451 1.00 30.86 ? 11 MET B C 1 ATOM 1810 O O . MET B 1 11 ? 1.198 64.993 8.388 1.00 27.89 ? 11 MET B O 1 ATOM 1811 C CB . MET B 1 11 ? -0.806 62.737 7.271 1.00 25.32 ? 11 MET B CB 1 ATOM 1812 C CG . MET B 1 11 ? -1.602 64.015 7.259 1.00 28.17 ? 11 MET B CG 1 ATOM 1813 S SD . MET B 1 11 ? -3.324 63.718 7.690 1.00 33.97 ? 11 MET B SD 1 ATOM 1814 C CE . MET B 1 11 ? -4.003 63.181 6.175 1.00 35.45 ? 11 MET B CE 1 ATOM 1815 N N . ALA B 1 12 ? 1.446 63.059 9.533 1.00 37.22 ? 12 ALA B N 1 ATOM 1816 C CA . ALA B 1 12 ? 1.815 63.657 10.812 1.00 37.54 ? 12 ALA B CA 1 ATOM 1817 C C . ALA B 1 12 ? 3.069 64.496 10.869 1.00 38.43 ? 12 ALA B C 1 ATOM 1818 O O . ALA B 1 12 ? 3.979 64.327 10.060 1.00 32.74 ? 12 ALA B O 1 ATOM 1819 C CB . ALA B 1 12 ? 1.890 62.572 11.867 1.00 34.79 ? 12 ALA B CB 1 ATOM 1820 N N . LYS B 1 13 ? 3.114 65.385 11.864 1.00 42.82 ? 13 LYS B N 1 ATOM 1821 C CA . LYS B 1 13 ? 4.281 66.235 12.086 1.00 45.74 ? 13 LYS B CA 1 ATOM 1822 C C . LYS B 1 13 ? 5.410 65.302 12.506 1.00 45.09 ? 13 LYS B C 1 ATOM 1823 O O . LYS B 1 13 ? 5.201 64.393 13.306 1.00 46.61 ? 13 LYS B O 1 ATOM 1824 C CB . LYS B 1 13 ? 4.023 67.279 13.179 1.00 47.20 ? 13 LYS B CB 1 ATOM 1825 C CG . LYS B 1 13 ? 5.236 68.178 13.439 1.00 54.33 ? 13 LYS B CG 1 ATOM 1826 C CD . LYS B 1 13 ? 4.991 69.233 14.519 1.00 61.05 ? 13 LYS B CD 1 ATOM 1827 C CE . LYS B 1 13 ? 4.071 70.355 14.039 1.00 68.04 ? 13 LYS B CE 1 ATOM 1828 N NZ . LYS B 1 13 ? 3.901 71.431 15.067 1.00 72.85 ? 13 LYS B NZ 1 ATOM 1829 N N . ASN B 1 14 ? 6.592 65.518 11.942 1.00 46.17 ? 14 ASN B N 1 ATOM 1830 C CA . ASN B 1 14 ? 7.767 64.684 12.209 1.00 47.75 ? 14 ASN B CA 1 ATOM 1831 C C . ASN B 1 14 ? 7.661 63.304 11.570 1.00 46.30 ? 14 ASN B C 1 ATOM 1832 O O . ASN B 1 14 ? 8.524 62.455 11.778 1.00 45.61 ? 14 ASN B O 1 ATOM 1833 C CB . ASN B 1 14 ? 8.046 64.555 13.706 1.00 50.03 ? 14 ASN B CB 1 ATOM 1834 C CG . ASN B 1 14 ? 8.535 65.853 14.318 1.00 58.44 ? 14 ASN B CG 1 ATOM 1835 O OD1 . ASN B 1 14 ? 9.266 66.617 13.685 1.00 60.93 ? 14 ASN B OD1 1 ATOM 1836 N ND2 . ASN B 1 14 ? 8.129 66.114 15.555 1.00 57.43 ? 14 ASN B ND2 1 ATOM 1837 N N . GLY B 1 15 ? 6.584 63.092 10.812 1.00 46.33 ? 15 GLY B N 1 ATOM 1838 C CA . GLY B 1 15 ? 6.358 61.841 10.105 1.00 43.46 ? 15 GLY B CA 1 ATOM 1839 C C . GLY B 1 15 ? 6.619 60.576 10.883 1.00 40.88 ? 15 GLY B C 1 ATOM 1840 O O . GLY B 1 15 ? 5.887 60.264 11.816 1.00 44.11 ? 15 GLY B O 1 ATOM 1841 N N . GLY B 1 16 ? 7.625 59.819 10.455 1.00 37.84 ? 16 GLY B N 1 ATOM 1842 C CA . GLY B 1 16 ? 7.983 58.592 11.147 1.00 42.45 ? 16 GLY B CA 1 ATOM 1843 C C . GLY B 1 16 ? 9.258 58.780 11.959 1.00 46.34 ? 16 GLY B C 1 ATOM 1844 O O . GLY B 1 16 ? 9.965 57.808 12.255 1.00 47.14 ? 16 GLY B O 1 ATOM 1845 N N . GLY B 1 17 ? 9.554 60.036 12.305 1.00 50.00 ? 17 GLY B N 1 ATOM 1846 C CA . GLY B 1 17 ? 10.747 60.363 13.072 1.00 54.47 ? 17 GLY B CA 1 ATOM 1847 C C . GLY B 1 17 ? 12.024 60.247 12.257 1.00 56.25 ? 17 GLY B C 1 ATOM 1848 O O . GLY B 1 17 ? 11.981 59.925 11.073 1.00 59.01 ? 17 GLY B O 1 ATOM 1849 N N . SER B 1 18 ? 13.162 60.525 12.887 1.00 59.87 ? 18 SER B N 1 ATOM 1850 C CA . SER B 1 18 ? 14.467 60.441 12.229 1.00 58.23 ? 18 SER B CA 1 ATOM 1851 C C . SER B 1 18 ? 14.656 61.387 11.055 1.00 56.05 ? 18 SER B C 1 ATOM 1852 O O . SER B 1 18 ? 15.334 61.047 10.089 1.00 51.12 ? 18 SER B O 1 ATOM 1853 C CB . SER B 1 18 ? 14.747 59.006 11.769 1.00 58.61 ? 18 SER B CB 1 ATOM 1854 O OG . SER B 1 18 ? 14.871 58.136 12.879 1.00 61.13 ? 18 SER B OG 1 ATOM 1855 N N . GLY B 1 19 ? 14.044 62.563 11.123 1.00 59.04 ? 19 GLY B N 1 ATOM 1856 C CA . GLY B 1 19 ? 14.200 63.514 10.037 1.00 62.30 ? 19 GLY B CA 1 ATOM 1857 C C . GLY B 1 19 ? 13.246 63.396 8.858 1.00 58.70 ? 19 GLY B C 1 ATOM 1858 O O . GLY B 1 19 ? 13.497 63.979 7.806 1.00 60.89 ? 19 GLY B O 1 ATOM 1859 N N . THR B 1 20 ? 12.188 62.602 9.003 1.00 50.57 ? 20 THR B N 1 ATOM 1860 C CA . THR B 1 20 ? 11.191 62.459 7.956 1.00 40.09 ? 20 THR B CA 1 ATOM 1861 C C . THR B 1 20 ? 10.043 63.378 8.368 1.00 38.17 ? 20 THR B C 1 ATOM 1862 O O . THR B 1 20 ? 10.036 63.907 9.478 1.00 40.40 ? 20 THR B O 1 ATOM 1863 C CB . THR B 1 20 ? 10.686 61.016 7.851 1.00 39.59 ? 20 THR B CB 1 ATOM 1864 O OG1 . THR B 1 20 ? 10.013 60.653 9.062 1.00 37.66 ? 20 THR B OG1 1 ATOM 1865 C CG2 . THR B 1 20 ? 11.847 60.059 7.612 1.00 34.18 ? 20 THR B CG2 1 ATOM 1866 N N . ASN B 1 21 ? 9.077 63.587 7.485 1.00 36.58 ? 21 ASN B N 1 ATOM 1867 C CA . ASN B 1 21 ? 7.965 64.453 7.834 1.00 33.00 ? 21 ASN B CA 1 ATOM 1868 C C . ASN B 1 21 ? 6.702 64.054 7.087 1.00 32.34 ? 21 ASN B C 1 ATOM 1869 O O . ASN B 1 21 ? 6.759 63.305 6.109 1.00 33.75 ? 21 ASN B O 1 ATOM 1870 C CB . ASN B 1 21 ? 8.330 65.913 7.564 1.00 34.13 ? 21 ASN B CB 1 ATOM 1871 C CG . ASN B 1 21 ? 7.645 66.882 8.522 1.00 37.77 ? 21 ASN B CG 1 ATOM 1872 O OD1 . ASN B 1 21 ? 7.892 68.087 8.482 1.00 45.50 ? 21 ASN B OD1 1 ATOM 1873 N ND2 . ASN B 1 21 ? 6.781 66.365 9.381 1.00 38.90 ? 21 ASN B ND2 1 ATOM 1874 N N . GLY B 1 22 ? 5.565 64.511 7.601 1.00 29.16 ? 22 GLY B N 1 ATOM 1875 C CA . GLY B 1 22 ? 4.287 64.197 6.997 1.00 34.55 ? 22 GLY B CA 1 ATOM 1876 C C . GLY B 1 22 ? 3.841 65.293 6.060 1.00 37.02 ? 22 GLY B C 1 ATOM 1877 O O . GLY B 1 22 ? 4.230 66.453 6.221 1.00 41.23 ? 22 GLY B O 1 ATOM 1878 N N . TRP B 1 23 ? 2.988 64.939 5.105 1.00 36.60 ? 23 TRP B N 1 ATOM 1879 C CA . TRP B 1 23 ? 2.519 65.908 4.129 1.00 34.45 ? 23 TRP B CA 1 ATOM 1880 C C . TRP B 1 23 ? 1.567 66.962 4.680 1.00 37.12 ? 23 TRP B C 1 ATOM 1881 O O . TRP B 1 23 ? 1.401 68.015 4.073 1.00 44.65 ? 23 TRP B O 1 ATOM 1882 C CB . TRP B 1 23 ? 1.940 65.214 2.882 1.00 29.25 ? 23 TRP B CB 1 ATOM 1883 C CG . TRP B 1 23 ? 0.625 64.512 3.064 1.00 27.34 ? 23 TRP B CG 1 ATOM 1884 C CD1 . TRP B 1 23 ? 0.435 63.188 3.340 1.00 30.94 ? 23 TRP B CD1 1 ATOM 1885 C CD2 . TRP B 1 23 ? -0.678 65.089 2.939 1.00 19.84 ? 23 TRP B CD2 1 ATOM 1886 N NE1 . TRP B 1 23 ? -0.911 62.905 3.394 1.00 29.36 ? 23 TRP B NE1 1 ATOM 1887 C CE2 . TRP B 1 23 ? -1.614 64.055 3.151 1.00 23.77 ? 23 TRP B CE2 1 ATOM 1888 C CE3 . TRP B 1 23 ? -1.147 66.374 2.666 1.00 21.76 ? 23 TRP B CE3 1 ATOM 1889 C CZ2 . TRP B 1 23 ? -2.991 64.270 3.101 1.00 23.32 ? 23 TRP B CZ2 1 ATOM 1890 C CZ3 . TRP B 1 23 ? -2.518 66.587 2.616 1.00 25.45 ? 23 TRP B CZ3 1 ATOM 1891 C CH2 . TRP B 1 23 ? -3.425 65.539 2.835 1.00 18.93 ? 23 TRP B CH2 1 ATOM 1892 N N . GLY B 1 24 ? 0.967 66.710 5.839 1.00 38.72 ? 24 GLY B N 1 ATOM 1893 C CA . GLY B 1 24 ? 0.054 67.690 6.407 1.00 37.09 ? 24 GLY B CA 1 ATOM 1894 C C . GLY B 1 24 ? 0.771 68.964 6.829 1.00 36.45 ? 24 GLY B C 1 ATOM 1895 O O . GLY B 1 24 ? 0.171 70.031 6.978 1.00 34.39 ? 24 GLY B O 1 ATOM 1896 N N . GLU B 1 25 ? 2.082 68.861 6.981 1.00 33.88 ? 25 GLU B N 1 ATOM 1897 C CA . GLU B 1 25 ? 2.882 69.989 7.399 1.00 37.68 ? 25 GLU B CA 1 ATOM 1898 C C . GLU B 1 25 ? 3.151 71.026 6.315 1.00 42.62 ? 25 GLU B C 1 ATOM 1899 O O . GLU B 1 25 ? 3.697 72.099 6.597 1.00 39.79 ? 25 GLU B O 1 ATOM 1900 C CB . GLU B 1 25 ? 4.196 69.474 7.974 1.00 38.07 ? 25 GLU B CB 1 ATOM 1901 C CG . GLU B 1 25 ? 3.996 68.739 9.263 1.00 42.77 ? 25 GLU B CG 1 ATOM 1902 C CD . GLU B 1 25 ? 3.341 69.627 10.303 1.00 43.49 ? 25 GLU B CD 1 ATOM 1903 O OE1 . GLU B 1 25 ? 2.112 69.517 10.513 1.00 43.43 ? 25 GLU B OE1 1 ATOM 1904 O OE2 . GLU B 1 25 ? 4.057 70.456 10.898 1.00 45.59 ? 25 GLU B OE2 1 ATOM 1905 N N . TYR B 1 26 ? 2.740 70.725 5.086 1.00 42.52 ? 26 TYR B N 1 ATOM 1906 C CA . TYR B 1 26 ? 2.990 71.625 3.973 1.00 38.35 ? 26 TYR B CA 1 ATOM 1907 C C . TYR B 1 26 ? 1.755 72.185 3.303 1.00 40.72 ? 26 TYR B C 1 ATOM 1908 O O . TYR B 1 26 ? 1.802 72.538 2.134 1.00 47.78 ? 26 TYR B O 1 ATOM 1909 C CB . TYR B 1 26 ? 3.885 70.923 2.958 1.00 32.07 ? 26 TYR B CB 1 ATOM 1910 C CG . TYR B 1 26 ? 5.190 70.476 3.574 1.00 34.06 ? 26 TYR B CG 1 ATOM 1911 C CD1 . TYR B 1 26 ? 5.298 69.243 4.215 1.00 35.37 ? 26 TYR B CD1 1 ATOM 1912 C CD2 . TYR B 1 26 ? 6.299 71.315 3.576 1.00 36.73 ? 26 TYR B CD2 1 ATOM 1913 C CE1 . TYR B 1 26 ? 6.479 68.859 4.845 1.00 34.84 ? 26 TYR B CE1 1 ATOM 1914 C CE2 . TYR B 1 26 ? 7.484 70.946 4.206 1.00 38.65 ? 26 TYR B CE2 1 ATOM 1915 C CZ . TYR B 1 26 ? 7.570 69.717 4.838 1.00 40.98 ? 26 TYR B CZ 1 ATOM 1916 O OH . TYR B 1 26 ? 8.752 69.357 5.457 1.00 42.50 ? 26 TYR B OH 1 ATOM 1917 N N . LEU B 1 27 ? 0.668 72.316 4.054 1.00 42.36 ? 27 LEU B N 1 ATOM 1918 C CA . LEU B 1 27 ? -0.582 72.839 3.508 1.00 46.71 ? 27 LEU B CA 1 ATOM 1919 C C . LEU B 1 27 ? -0.874 74.290 3.868 1.00 50.24 ? 27 LEU B C 1 ATOM 1920 O O . LEU B 1 27 ? -1.410 75.034 3.053 1.00 52.69 ? 27 LEU B O 1 ATOM 1921 C CB . LEU B 1 27 ? -1.776 71.999 3.971 1.00 45.88 ? 27 LEU B CB 1 ATOM 1922 C CG . LEU B 1 27 ? -2.004 70.587 3.448 1.00 43.24 ? 27 LEU B CG 1 ATOM 1923 C CD1 . LEU B 1 27 ? -3.284 70.075 4.061 1.00 41.57 ? 27 LEU B CD1 1 ATOM 1924 C CD2 . LEU B 1 27 ? -2.099 70.582 1.939 1.00 45.69 ? 27 LEU B CD2 1 ATOM 1925 N N . ALA B 1 28 ? -0.558 74.675 5.101 1.00 52.97 ? 28 ALA B N 1 ATOM 1926 C CA . ALA B 1 28 ? -0.831 76.019 5.602 1.00 52.43 ? 28 ALA B CA 1 ATOM 1927 C C . ALA B 1 28 ? -0.488 77.172 4.670 1.00 50.99 ? 28 ALA B C 1 ATOM 1928 O O . ALA B 1 28 ? -1.284 78.109 4.523 1.00 51.57 ? 28 ALA B O 1 ATOM 1929 C CB . ALA B 1 28 ? -0.159 76.216 6.952 1.00 57.64 ? 28 ALA B CB 1 ATOM 1930 N N . SER B 1 29 ? 0.677 77.096 4.028 1.00 50.80 ? 29 SER B N 1 ATOM 1931 C CA . SER B 1 29 ? 1.116 78.161 3.124 1.00 56.82 ? 29 SER B CA 1 ATOM 1932 C C . SER B 1 29 ? 0.303 78.353 1.831 1.00 55.58 ? 29 SER B C 1 ATOM 1933 O O . SER B 1 29 ? 0.504 79.332 1.113 1.00 55.85 ? 29 SER B O 1 ATOM 1934 C CB . SER B 1 29 ? 2.615 78.029 2.811 1.00 54.25 ? 29 SER B CB 1 ATOM 1935 O OG . SER B 1 29 ? 2.953 76.720 2.396 1.00 64.23 ? 29 SER B OG 1 ATOM 1936 N N . TYR B 1 30 ? -0.646 77.457 1.568 1.00 52.30 ? 30 TYR B N 1 ATOM 1937 C CA . TYR B 1 30 ? -1.480 77.538 0.368 1.00 47.34 ? 30 TYR B CA 1 ATOM 1938 C C . TYR B 1 30 ? -2.954 77.677 0.720 1.00 45.27 ? 30 TYR B C 1 ATOM 1939 O O . TYR B 1 30 ? -3.812 77.824 -0.155 1.00 45.72 ? 30 TYR B O 1 ATOM 1940 C CB . TYR B 1 30 ? -1.264 76.295 -0.497 1.00 43.55 ? 30 TYR B CB 1 ATOM 1941 C CG . TYR B 1 30 ? 0.160 76.151 -0.969 1.00 50.88 ? 30 TYR B CG 1 ATOM 1942 C CD1 . TYR B 1 30 ? 1.016 75.214 -0.388 1.00 51.96 ? 30 TYR B CD1 1 ATOM 1943 C CD2 . TYR B 1 30 ? 0.670 76.982 -1.974 1.00 49.91 ? 30 TYR B CD2 1 ATOM 1944 C CE1 . TYR B 1 30 ? 2.355 75.107 -0.795 1.00 53.77 ? 30 TYR B CE1 1 ATOM 1945 C CE2 . TYR B 1 30 ? 2.004 76.888 -2.388 1.00 54.88 ? 30 TYR B CE2 1 ATOM 1946 C CZ . TYR B 1 30 ? 2.841 75.948 -1.793 1.00 57.34 ? 30 TYR B CZ 1 ATOM 1947 O OH . TYR B 1 30 ? 4.159 75.856 -2.189 1.00 61.90 ? 30 TYR B OH 1 ATOM 1948 N N . LEU B 1 31 ? -3.237 77.676 2.016 1.00 45.98 ? 31 LEU B N 1 ATOM 1949 C CA . LEU B 1 31 ? -4.603 77.769 2.496 1.00 47.57 ? 31 LEU B CA 1 ATOM 1950 C C . LEU B 1 31 ? -4.859 79.039 3.279 1.00 49.56 ? 31 LEU B C 1 ATOM 1951 O O . LEU B 1 31 ? -4.008 79.489 4.055 1.00 51.48 ? 31 LEU B O 1 ATOM 1952 C CB . LEU B 1 31 ? -4.932 76.551 3.370 1.00 47.80 ? 31 LEU B CB 1 ATOM 1953 C CG . LEU B 1 31 ? -5.076 75.207 2.660 1.00 42.52 ? 31 LEU B CG 1 ATOM 1954 C CD1 . LEU B 1 31 ? -5.054 74.066 3.644 1.00 35.88 ? 31 LEU B CD1 1 ATOM 1955 C CD2 . LEU B 1 31 ? -6.366 75.218 1.878 1.00 44.17 ? 31 LEU B CD2 1 ATOM 1956 N N . SER B 1 32 ? -6.037 79.614 3.054 1.00 49.25 ? 32 SER B N 1 ATOM 1957 C CA . SER B 1 32 ? -6.465 80.817 3.751 1.00 51.59 ? 32 SER B CA 1 ATOM 1958 C C . SER B 1 32 ? -7.389 80.337 4.863 1.00 53.76 ? 32 SER B C 1 ATOM 1959 O O . SER B 1 32 ? -8.551 80.737 4.951 1.00 55.92 ? 32 SER B O 1 ATOM 1960 C CB . SER B 1 32 ? -7.223 81.744 2.806 1.00 50.90 ? 32 SER B CB 1 ATOM 1961 O OG . SER B 1 32 ? -8.411 81.124 2.354 1.00 54.96 ? 32 SER B OG 1 ATOM 1962 N N . ALA B 1 33 ? -6.874 79.407 5.658 1.00 52.14 ? 33 ALA B N 1 ATOM 1963 C CA . ALA B 1 33 ? -7.604 78.834 6.779 1.00 49.84 ? 33 ALA B CA 1 ATOM 1964 C C . ALA B 1 33 ? -6.571 78.218 7.709 1.00 51.33 ? 33 ALA B C 1 ATOM 1965 O O . ALA B 1 33 ? -5.451 77.917 7.284 1.00 52.38 ? 33 ALA B O 1 ATOM 1966 C CB . ALA B 1 33 ? -8.576 77.776 6.292 1.00 46.13 ? 33 ALA B CB 1 ATOM 1967 N N . THR B 1 34 ? -6.923 78.079 8.983 1.00 51.78 ? 34 THR B N 1 ATOM 1968 C CA . THR B 1 34 ? -6.004 77.493 9.954 1.00 52.47 ? 34 THR B CA 1 ATOM 1969 C C . THR B 1 34 ? -5.945 75.979 9.746 1.00 51.17 ? 34 THR B C 1 ATOM 1970 O O . THR B 1 34 ? -6.977 75.331 9.557 1.00 54.84 ? 34 THR B O 1 ATOM 1971 C CB . THR B 1 34 ? -6.449 77.785 11.408 1.00 54.04 ? 34 THR B CB 1 ATOM 1972 O OG1 . THR B 1 34 ? -6.660 79.192 11.574 1.00 53.52 ? 34 THR B OG1 1 ATOM 1973 C CG2 . THR B 1 34 ? -5.384 77.314 12.399 1.00 47.77 ? 34 THR B CG2 1 ATOM 1974 N N . VAL B 1 35 ? -4.731 75.431 9.755 1.00 46.35 ? 35 VAL B N 1 ATOM 1975 C CA . VAL B 1 35 ? -4.518 73.995 9.581 1.00 44.49 ? 35 VAL B CA 1 ATOM 1976 C C . VAL B 1 35 ? -4.081 73.333 10.881 1.00 46.57 ? 35 VAL B C 1 ATOM 1977 O O . VAL B 1 35 ? -3.033 73.669 11.432 1.00 46.44 ? 35 VAL B O 1 ATOM 1978 C CB . VAL B 1 35 ? -3.451 73.709 8.495 1.00 41.56 ? 35 VAL B CB 1 ATOM 1979 C CG1 . VAL B 1 35 ? -2.992 72.264 8.542 1.00 35.28 ? 35 VAL B CG1 1 ATOM 1980 C CG2 . VAL B 1 35 ? -4.031 73.994 7.134 1.00 43.13 ? 35 VAL B CG2 1 ATOM 1981 N N . VAL B 1 36 ? -4.901 72.407 11.372 1.00 47.12 ? 36 VAL B N 1 ATOM 1982 C CA . VAL B 1 36 ? -4.598 71.663 12.594 1.00 44.24 ? 36 VAL B CA 1 ATOM 1983 C C . VAL B 1 36 ? -4.277 70.236 12.163 1.00 41.23 ? 36 VAL B C 1 ATOM 1984 O O . VAL B 1 36 ? -5.144 69.526 11.650 1.00 42.28 ? 36 VAL B O 1 ATOM 1985 C CB . VAL B 1 36 ? -5.804 71.658 13.566 1.00 45.27 ? 36 VAL B CB 1 ATOM 1986 C CG1 . VAL B 1 36 ? -5.478 70.868 14.807 1.00 44.28 ? 36 VAL B CG1 1 ATOM 1987 C CG2 . VAL B 1 36 ? -6.183 73.078 13.943 1.00 46.36 ? 36 VAL B CG2 1 ATOM 1988 N N . ASN B 1 37 ? -3.018 69.842 12.326 1.00 37.49 ? 37 ASN B N 1 ATOM 1989 C CA . ASN B 1 37 ? -2.564 68.509 11.937 1.00 38.74 ? 37 ASN B CA 1 ATOM 1990 C C . ASN B 1 37 ? -2.672 67.503 13.076 1.00 40.37 ? 37 ASN B C 1 ATOM 1991 O O . ASN B 1 37 ? -1.731 67.337 13.861 1.00 42.93 ? 37 ASN B O 1 ATOM 1992 C CB . ASN B 1 37 ? -1.114 68.566 11.433 1.00 34.38 ? 37 ASN B CB 1 ATOM 1993 C CG . ASN B 1 37 ? -0.656 67.254 10.812 1.00 38.97 ? 37 ASN B CG 1 ATOM 1994 O OD1 . ASN B 1 37 ? -1.346 66.234 10.898 1.00 35.47 ? 37 ASN B OD1 1 ATOM 1995 N ND2 . ASN B 1 37 ? 0.501 67.283 10.158 1.00 31.32 ? 37 ASN B ND2 1 ATOM 1996 N N . ASP B 1 38 ? -3.797 66.801 13.137 1.00 40.44 ? 38 ASP B N 1 ATOM 1997 C CA . ASP B 1 38 ? -4.009 65.803 14.180 1.00 39.86 ? 38 ASP B CA 1 ATOM 1998 C C . ASP B 1 38 ? -3.635 64.366 13.791 1.00 40.75 ? 38 ASP B C 1 ATOM 1999 O O . ASP B 1 38 ? -4.125 63.408 14.394 1.00 40.74 ? 38 ASP B O 1 ATOM 2000 C CB . ASP B 1 38 ? -5.447 65.868 14.689 1.00 35.42 ? 38 ASP B CB 1 ATOM 2001 C CG . ASP B 1 38 ? -5.696 67.077 15.560 1.00 39.49 ? 38 ASP B CG 1 ATOM 2002 O OD1 . ASP B 1 38 ? -4.771 67.503 16.286 1.00 42.54 ? 38 ASP B OD1 1 ATOM 2003 O OD2 . ASP B 1 38 ? -6.822 67.609 15.520 1.00 47.27 ? 38 ASP B OD2 1 ATOM 2004 N N . ALA B 1 39 ? -2.783 64.216 12.776 1.00 38.38 ? 39 ALA B N 1 ATOM 2005 C CA . ALA B 1 39 ? -2.329 62.896 12.343 1.00 33.21 ? 39 ALA B CA 1 ATOM 2006 C C . ALA B 1 39 ? -1.342 62.387 13.393 1.00 35.83 ? 39 ALA B C 1 ATOM 2007 O O . ALA B 1 39 ? -0.608 63.174 13.985 1.00 41.74 ? 39 ALA B O 1 ATOM 2008 C CB . ALA B 1 39 ? -1.662 62.989 10.985 1.00 28.94 ? 39 ALA B CB 1 ATOM 2009 N N . VAL B 1 40 ? -1.356 61.086 13.664 1.00 36.54 ? 40 VAL B N 1 ATOM 2010 C CA . VAL B 1 40 ? -0.458 60.500 14.661 1.00 39.01 ? 40 VAL B CA 1 ATOM 2011 C C . VAL B 1 40 ? 0.201 59.247 14.092 1.00 38.89 ? 40 VAL B C 1 ATOM 2012 O O . VAL B 1 40 ? -0.477 58.379 13.548 1.00 41.30 ? 40 VAL B O 1 ATOM 2013 C CB . VAL B 1 40 ? -1.221 60.083 15.944 1.00 42.27 ? 40 VAL B CB 1 ATOM 2014 C CG1 . VAL B 1 40 ? -0.236 59.733 17.035 1.00 41.66 ? 40 VAL B CG1 1 ATOM 2015 C CG2 . VAL B 1 40 ? -2.177 61.177 16.401 1.00 43.83 ? 40 VAL B CG2 1 ATOM 2016 N N . ALA B 1 41 ? 1.509 59.120 14.270 1.00 31.11 ? 41 ALA B N 1 ATOM 2017 C CA . ALA B 1 41 ? 2.227 57.972 13.740 1.00 36.96 ? 41 ALA B CA 1 ATOM 2018 C C . ALA B 1 41 ? 1.753 56.611 14.256 1.00 38.15 ? 41 ALA B C 1 ATOM 2019 O O . ALA B 1 41 ? 1.441 56.458 15.438 1.00 37.77 ? 41 ALA B O 1 ATOM 2020 C CB . ALA B 1 41 ? 3.718 58.136 13.975 1.00 25.43 ? 41 ALA B CB 1 ATOM 2021 N N . GLY B 1 42 ? 1.667 55.643 13.339 1.00 40.48 ? 42 GLY B N 1 ATOM 2022 C CA . GLY B 1 42 ? 1.272 54.288 13.686 1.00 33.57 ? 42 GLY B CA 1 ATOM 2023 C C . GLY B 1 42 ? -0.203 53.998 13.818 1.00 33.06 ? 42 GLY B C 1 ATOM 2024 O O . GLY B 1 42 ? -0.569 52.884 14.147 1.00 35.57 ? 42 GLY B O 1 ATOM 2025 N N . ARG B 1 43 ? -1.058 54.973 13.551 1.00 33.56 ? 43 ARG B N 1 ATOM 2026 C CA . ARG B 1 43 ? -2.497 54.756 13.677 1.00 33.43 ? 43 ARG B CA 1 ATOM 2027 C C . ARG B 1 43 ? -3.187 54.204 12.437 1.00 36.08 ? 43 ARG B C 1 ATOM 2028 O O . ARG B 1 43 ? -2.730 54.383 11.307 1.00 40.32 ? 43 ARG B O 1 ATOM 2029 C CB . ARG B 1 43 ? -3.198 56.043 14.113 1.00 30.69 ? 43 ARG B CB 1 ATOM 2030 C CG . ARG B 1 43 ? -3.241 56.246 15.597 1.00 29.02 ? 43 ARG B CG 1 ATOM 2031 C CD . ARG B 1 43 ? -1.865 56.185 16.196 1.00 35.58 ? 43 ARG B CD 1 ATOM 2032 N NE . ARG B 1 43 ? -1.912 56.361 17.641 1.00 42.36 ? 43 ARG B NE 1 ATOM 2033 C CZ . ARG B 1 43 ? -0.846 56.420 18.432 1.00 39.79 ? 43 ARG B CZ 1 ATOM 2034 N NH1 . ARG B 1 43 ? 0.374 56.310 17.920 1.00 39.85 ? 43 ARG B NH1 1 ATOM 2035 N NH2 . ARG B 1 43 ? -1.008 56.614 19.735 1.00 42.52 ? 43 ARG B NH2 1 ATOM 2036 N N . SER B 1 44 ? -4.285 53.498 12.674 1.00 30.99 ? 44 SER B N 1 ATOM 2037 C CA . SER B 1 44 ? -5.099 52.929 11.613 1.00 29.80 ? 44 SER B CA 1 ATOM 2038 C C . SER B 1 44 ? -6.488 53.467 11.898 1.00 29.61 ? 44 SER B C 1 ATOM 2039 O O . SER B 1 44 ? -6.700 54.115 12.917 1.00 33.01 ? 44 SER B O 1 ATOM 2040 C CB . SER B 1 44 ? -5.112 51.406 11.702 1.00 30.41 ? 44 SER B CB 1 ATOM 2041 O OG . SER B 1 44 ? -5.816 50.981 12.852 1.00 31.92 ? 44 SER B OG 1 ATOM 2042 N N . ALA B 1 45 ? -7.435 53.214 11.006 1.00 31.40 ? 45 ALA B N 1 ATOM 2043 C CA . ALA B 1 45 ? -8.796 53.689 11.217 1.00 33.61 ? 45 ALA B CA 1 ATOM 2044 C C . ALA B 1 45 ? -9.332 53.141 12.539 1.00 33.99 ? 45 ALA B C 1 ATOM 2045 O O . ALA B 1 45 ? -10.032 53.832 13.276 1.00 33.63 ? 45 ALA B O 1 ATOM 2046 C CB . ALA B 1 45 ? -9.683 53.258 10.061 1.00 35.89 ? 45 ALA B CB 1 ATOM 2047 N N . ARG B 1 46 ? -8.957 51.907 12.851 1.00 30.76 ? 46 ARG B N 1 ATOM 2048 C CA . ARG B 1 46 ? -9.381 51.264 14.088 1.00 35.99 ? 46 ARG B CA 1 ATOM 2049 C C . ARG B 1 46 ? -8.722 51.920 15.303 1.00 33.24 ? 46 ARG B C 1 ATOM 2050 O O . ARG B 1 46 ? -9.392 52.383 16.220 1.00 34.47 ? 46 ARG B O 1 ATOM 2051 C CB . ARG B 1 46 ? -9.027 49.771 14.043 1.00 36.66 ? 46 ARG B CB 1 ATOM 2052 C CG . ARG B 1 46 ? -9.315 48.999 15.330 1.00 32.24 ? 46 ARG B CG 1 ATOM 2053 C CD . ARG B 1 46 ? -8.607 47.669 15.279 1.00 32.67 ? 46 ARG B CD 1 ATOM 2054 N NE . ARG B 1 46 ? -8.485 47.040 16.581 1.00 31.26 ? 46 ARG B NE 1 ATOM 2055 C CZ . ARG B 1 46 ? -7.762 45.952 16.808 1.00 31.16 ? 46 ARG B CZ 1 ATOM 2056 N NH1 . ARG B 1 46 ? -7.094 45.366 15.828 1.00 26.52 ? 46 ARG B NH1 1 ATOM 2057 N NH2 . ARG B 1 46 ? -7.710 45.446 18.024 1.00 39.27 ? 46 ARG B NH2 1 ATOM 2058 N N . SER B 1 47 ? -7.395 51.913 15.297 1.00 34.07 ? 47 SER B N 1 ATOM 2059 C CA . SER B 1 47 ? -6.565 52.478 16.353 1.00 30.25 ? 47 SER B CA 1 ATOM 2060 C C . SER B 1 47 ? -6.979 53.925 16.661 1.00 35.27 ? 47 SER B C 1 ATOM 2061 O O . SER B 1 47 ? -7.259 54.276 17.806 1.00 39.74 ? 47 SER B O 1 ATOM 2062 C CB . SER B 1 47 ? -5.112 52.416 15.883 1.00 29.30 ? 47 SER B CB 1 ATOM 2063 O OG . SER B 1 47 ? -4.203 52.861 16.861 1.00 47.11 ? 47 SER B OG 1 ATOM 2064 N N . TYR B 1 48 ? -7.076 54.743 15.620 1.00 35.92 ? 48 TYR B N 1 ATOM 2065 C CA . TYR B 1 48 ? -7.447 56.147 15.755 1.00 32.67 ? 48 TYR B CA 1 ATOM 2066 C C . TYR B 1 48 ? -8.837 56.295 16.343 1.00 36.50 ? 48 TYR B C 1 ATOM 2067 O O . TYR B 1 48 ? -9.087 57.202 17.131 1.00 39.35 ? 48 TYR B O 1 ATOM 2068 C CB . TYR B 1 48 ? -7.408 56.817 14.391 1.00 28.97 ? 48 TYR B CB 1 ATOM 2069 C CG . TYR B 1 48 ? -7.230 58.309 14.416 1.00 24.87 ? 48 TYR B CG 1 ATOM 2070 C CD1 . TYR B 1 48 ? -5.964 58.867 14.554 1.00 26.50 ? 48 TYR B CD1 1 ATOM 2071 C CD2 . TYR B 1 48 ? -8.307 59.165 14.223 1.00 23.88 ? 48 TYR B CD2 1 ATOM 2072 C CE1 . TYR B 1 48 ? -5.773 60.248 14.489 1.00 26.84 ? 48 TYR B CE1 1 ATOM 2073 C CE2 . TYR B 1 48 ? -8.128 60.548 14.152 1.00 23.84 ? 48 TYR B CE2 1 ATOM 2074 C CZ . TYR B 1 48 ? -6.860 61.077 14.285 1.00 23.80 ? 48 TYR B CZ 1 ATOM 2075 O OH . TYR B 1 48 ? -6.679 62.437 14.211 1.00 28.26 ? 48 TYR B OH 1 ATOM 2076 N N . THR B 1 49 ? -9.748 55.419 15.935 1.00 40.45 ? 49 THR B N 1 ATOM 2077 C CA . THR B 1 49 ? -11.117 55.459 16.433 1.00 39.25 ? 49 THR B CA 1 ATOM 2078 C C . THR B 1 49 ? -11.171 55.065 17.912 1.00 40.89 ? 49 THR B C 1 ATOM 2079 O O . THR B 1 49 ? -11.759 55.778 18.727 1.00 38.90 ? 49 THR B O 1 ATOM 2080 C CB . THR B 1 49 ? -12.045 54.537 15.598 1.00 36.70 ? 49 THR B CB 1 ATOM 2081 O OG1 . THR B 1 49 ? -12.165 55.053 14.265 1.00 36.80 ? 49 THR B OG1 1 ATOM 2082 C CG2 . THR B 1 49 ? -13.427 54.464 16.219 1.00 30.92 ? 49 THR B CG2 1 ATOM 2083 N N . ARG B 1 50 ? -10.513 53.958 18.253 1.00 40.36 ? 50 ARG B N 1 ATOM 2084 C CA . ARG B 1 50 ? -10.487 53.437 19.619 1.00 38.58 ? 50 ARG B CA 1 ATOM 2085 C C . ARG B 1 50 ? -9.818 54.369 20.618 1.00 41.09 ? 50 ARG B C 1 ATOM 2086 O O . ARG B 1 50 ? -10.221 54.439 21.782 1.00 38.93 ? 50 ARG B O 1 ATOM 2087 C CB . ARG B 1 50 ? -9.806 52.071 19.641 1.00 36.21 ? 50 ARG B CB 1 ATOM 2088 C CG . ARG B 1 50 ? -9.383 51.628 21.012 1.00 27.78 ? 50 ARG B CG 1 ATOM 2089 C CD . ARG B 1 50 ? -9.068 50.164 21.042 1.00 30.13 ? 50 ARG B CD 1 ATOM 2090 N NE . ARG B 1 50 ? -8.157 49.760 19.976 1.00 40.98 ? 50 ARG B NE 1 ATOM 2091 C CZ . ARG B 1 50 ? -6.872 50.068 19.939 1.00 33.45 ? 50 ARG B CZ 1 ATOM 2092 N NH1 . ARG B 1 50 ? -6.346 50.797 20.900 1.00 47.33 ? 50 ARG B NH1 1 ATOM 2093 N NH2 . ARG B 1 50 ? -6.103 49.606 18.975 1.00 36.66 ? 50 ARG B NH2 1 ATOM 2094 N N . GLU B 1 51 ? -8.790 55.074 20.160 1.00 42.33 ? 51 GLU B N 1 ATOM 2095 C CA . GLU B 1 51 ? -8.059 56.014 21.003 1.00 37.04 ? 51 GLU B CA 1 ATOM 2096 C C . GLU B 1 51 ? -8.813 57.332 21.235 1.00 37.83 ? 51 GLU B C 1 ATOM 2097 O O . GLU B 1 51 ? -8.319 58.231 21.927 1.00 36.54 ? 51 GLU B O 1 ATOM 2098 C CB . GLU B 1 51 ? -6.677 56.268 20.410 1.00 29.30 ? 51 GLU B CB 1 ATOM 2099 C CG . GLU B 1 51 ? -5.773 55.056 20.479 1.00 30.20 ? 51 GLU B CG 1 ATOM 2100 C CD . GLU B 1 51 ? -4.443 55.267 19.784 1.00 36.46 ? 51 GLU B CD 1 ATOM 2101 O OE1 . GLU B 1 51 ? -4.203 56.383 19.276 1.00 39.34 ? 51 GLU B OE1 1 ATOM 2102 O OE2 . GLU B 1 51 ? -3.635 54.311 19.735 1.00 38.92 ? 51 GLU B OE2 1 ATOM 2103 N N . GLY B 1 52 ? -10.018 57.425 20.672 1.00 38.95 ? 52 GLY B N 1 ATOM 2104 C CA . GLY B 1 52 ? -10.844 58.610 20.827 1.00 35.51 ? 52 GLY B CA 1 ATOM 2105 C C . GLY B 1 52 ? -10.443 59.809 19.994 1.00 39.03 ? 52 GLY B C 1 ATOM 2106 O O . GLY B 1 52 ? -11.066 60.863 20.091 1.00 42.66 ? 52 GLY B O 1 ATOM 2107 N N . ARG B 1 53 ? -9.472 59.635 19.106 1.00 39.22 ? 53 ARG B N 1 ATOM 2108 C CA . ARG B 1 53 ? -8.985 60.739 18.285 1.00 34.43 ? 53 ARG B CA 1 ATOM 2109 C C . ARG B 1 53 ? -9.980 61.353 17.309 1.00 37.33 ? 53 ARG B C 1 ATOM 2110 O O . ARG B 1 53 ? -9.879 62.535 16.995 1.00 39.43 ? 53 ARG B O 1 ATOM 2111 C CB . ARG B 1 53 ? -7.688 60.343 17.605 1.00 33.81 ? 53 ARG B CB 1 ATOM 2112 C CG . ARG B 1 53 ? -6.591 60.090 18.606 1.00 28.91 ? 53 ARG B CG 1 ATOM 2113 C CD . ARG B 1 53 ? -5.348 59.546 17.974 1.00 33.88 ? 53 ARG B CD 1 ATOM 2114 N NE . ARG B 1 53 ? -4.422 59.144 19.018 1.00 36.41 ? 53 ARG B NE 1 ATOM 2115 C CZ . ARG B 1 53 ? -3.706 59.991 19.747 1.00 38.46 ? 53 ARG B CZ 1 ATOM 2116 N NH1 . ARG B 1 53 ? -3.799 61.301 19.528 1.00 36.03 ? 53 ARG B NH1 1 ATOM 2117 N NH2 . ARG B 1 53 ? -2.946 59.524 20.735 1.00 38.92 ? 53 ARG B NH2 1 ATOM 2118 N N . PHE B 1 54 ? -10.944 60.570 16.834 1.00 39.40 ? 54 PHE B N 1 ATOM 2119 C CA . PHE B 1 54 ? -11.969 61.115 15.936 1.00 44.16 ? 54 PHE B CA 1 ATOM 2120 C C . PHE B 1 54 ? -12.943 61.963 16.749 1.00 48.42 ? 54 PHE B C 1 ATOM 2121 O O . PHE B 1 54 ? -13.555 62.900 16.222 1.00 47.72 ? 54 PHE B O 1 ATOM 2122 C CB . PHE B 1 54 ? -12.750 60.007 15.220 1.00 46.40 ? 54 PHE B CB 1 ATOM 2123 C CG . PHE B 1 54 ? -12.090 59.508 13.964 1.00 46.34 ? 54 PHE B CG 1 ATOM 2124 C CD1 . PHE B 1 54 ? -12.004 58.145 13.705 1.00 42.78 ? 54 PHE B CD1 1 ATOM 2125 C CD2 . PHE B 1 54 ? -11.560 60.401 13.038 1.00 46.54 ? 54 PHE B CD2 1 ATOM 2126 C CE1 . PHE B 1 54 ? -11.402 57.681 12.548 1.00 46.48 ? 54 PHE B CE1 1 ATOM 2127 C CE2 . PHE B 1 54 ? -10.955 59.948 11.874 1.00 43.94 ? 54 PHE B CE2 1 ATOM 2128 C CZ . PHE B 1 54 ? -10.874 58.586 11.627 1.00 44.37 ? 54 PHE B CZ 1 ATOM 2129 N N . GLU B 1 55 ? -13.110 61.596 18.024 1.00 52.14 ? 55 GLU B N 1 ATOM 2130 C CA . GLU B 1 55 ? -13.991 62.319 18.944 1.00 51.69 ? 55 GLU B CA 1 ATOM 2131 C C . GLU B 1 55 ? -13.439 63.681 19.297 1.00 50.86 ? 55 GLU B C 1 ATOM 2132 O O . GLU B 1 55 ? -14.179 64.660 19.333 1.00 49.54 ? 55 GLU B O 1 ATOM 2133 C CB . GLU B 1 55 ? -14.202 61.536 20.229 1.00 55.87 ? 55 GLU B CB 1 ATOM 2134 C CG . GLU B 1 55 ? -15.371 60.593 20.166 1.00 67.22 ? 55 GLU B CG 1 ATOM 2135 C CD . GLU B 1 55 ? -16.721 61.301 20.034 1.00 69.09 ? 55 GLU B CD 1 ATOM 2136 O OE1 . GLU B 1 55 ? -16.819 62.518 20.322 1.00 65.53 ? 55 GLU B OE1 1 ATOM 2137 O OE2 . GLU B 1 55 ? -17.698 60.623 19.645 1.00 72.82 ? 55 GLU B OE2 1 ATOM 2138 N N . ASN B 1 56 ? -12.136 63.732 19.570 1.00 50.67 ? 56 ASN B N 1 ATOM 2139 C CA . ASN B 1 56 ? -11.479 64.984 19.915 1.00 53.81 ? 56 ASN B CA 1 ATOM 2140 C C . ASN B 1 56 ? -11.667 66.029 18.815 1.00 51.44 ? 56 ASN B C 1 ATOM 2141 O O . ASN B 1 56 ? -11.883 67.203 19.100 1.00 55.08 ? 56 ASN B O 1 ATOM 2142 C CB . ASN B 1 56 ? -10.004 64.750 20.255 1.00 62.21 ? 56 ASN B CB 1 ATOM 2143 C CG . ASN B 1 56 ? -9.821 64.072 21.616 1.00 73.17 ? 56 ASN B CG 1 ATOM 2144 O OD1 . ASN B 1 56 ? -10.674 64.183 22.504 1.00 78.01 ? 56 ASN B OD1 1 ATOM 2145 N ND2 . ASN B 1 56 ? -8.706 63.373 21.783 1.00 77.47 ? 56 ASN B ND2 1 ATOM 2146 N N . ILE B 1 57 ? -11.647 65.587 17.561 1.00 49.30 ? 57 ILE B N 1 ATOM 2147 C CA . ILE B 1 57 ? -11.864 66.492 16.441 1.00 45.28 ? 57 ILE B CA 1 ATOM 2148 C C . ILE B 1 57 ? -13.340 66.875 16.437 1.00 44.61 ? 57 ILE B C 1 ATOM 2149 O O . ILE B 1 57 ? -13.677 68.051 16.336 1.00 47.77 ? 57 ILE B O 1 ATOM 2150 C CB . ILE B 1 57 ? -11.495 65.847 15.091 1.00 42.70 ? 57 ILE B CB 1 ATOM 2151 C CG1 . ILE B 1 57 ? -10.000 65.558 15.043 1.00 40.42 ? 57 ILE B CG1 1 ATOM 2152 C CG2 . ILE B 1 57 ? -11.862 66.767 13.943 1.00 37.07 ? 57 ILE B CG2 1 ATOM 2153 C CD1 . ILE B 1 57 ? -9.571 64.864 13.773 1.00 44.34 ? 57 ILE B CD1 1 ATOM 2154 N N . ALA B 1 58 ? -14.212 65.886 16.607 1.00 43.18 ? 58 ALA B N 1 ATOM 2155 C CA . ALA B 1 58 ? -15.655 66.125 16.619 1.00 46.23 ? 58 ALA B CA 1 ATOM 2156 C C . ALA B 1 58 ? -16.114 67.077 17.734 1.00 50.09 ? 58 ALA B C 1 ATOM 2157 O O . ALA B 1 58 ? -17.140 67.746 17.602 1.00 53.31 ? 58 ALA B O 1 ATOM 2158 C CB . ALA B 1 58 ? -16.397 64.814 16.709 1.00 41.94 ? 58 ALA B CB 1 ATOM 2159 N N . ASP B 1 59 ? -15.354 67.149 18.823 1.00 52.01 ? 59 ASP B N 1 ATOM 2160 C CA . ASP B 1 59 ? -15.702 68.036 19.929 1.00 56.15 ? 59 ASP B CA 1 ATOM 2161 C C . ASP B 1 59 ? -15.397 69.502 19.608 1.00 57.26 ? 59 ASP B C 1 ATOM 2162 O O . ASP B 1 59 ? -16.172 70.388 19.969 1.00 57.54 ? 59 ASP B O 1 ATOM 2163 C CB . ASP B 1 59 ? -14.948 67.638 21.211 1.00 59.12 ? 59 ASP B CB 1 ATOM 2164 C CG . ASP B 1 59 ? -15.455 66.331 21.833 1.00 57.70 ? 59 ASP B CG 1 ATOM 2165 O OD1 . ASP B 1 59 ? -16.581 65.875 21.512 1.00 49.29 ? 59 ASP B OD1 1 ATOM 2166 O OD2 . ASP B 1 59 ? -14.707 65.771 22.664 1.00 54.51 ? 59 ASP B OD2 1 ATOM 2167 N N . VAL B 1 60 ? -14.281 69.741 18.914 1.00 54.92 ? 60 VAL B N 1 ATOM 2168 C CA . VAL B 1 60 ? -13.839 71.092 18.564 1.00 54.91 ? 60 VAL B CA 1 ATOM 2169 C C . VAL B 1 60 ? -14.227 71.631 17.185 1.00 60.17 ? 60 VAL B C 1 ATOM 2170 O O . VAL B 1 60 ? -14.118 72.839 16.930 1.00 64.54 ? 60 VAL B O 1 ATOM 2171 C CB . VAL B 1 60 ? -12.308 71.241 18.726 1.00 54.48 ? 60 VAL B CB 1 ATOM 2172 C CG1 . VAL B 1 60 ? -11.900 70.932 20.150 1.00 56.99 ? 60 VAL B CG1 1 ATOM 2173 C CG2 . VAL B 1 60 ? -11.575 70.341 17.755 1.00 52.80 ? 60 VAL B CG2 1 ATOM 2174 N N . VAL B 1 61 ? -14.672 70.753 16.293 1.00 62.96 ? 61 VAL B N 1 ATOM 2175 C CA . VAL B 1 61 ? -15.048 71.180 14.950 1.00 60.16 ? 61 VAL B CA 1 ATOM 2176 C C . VAL B 1 61 ? -16.304 72.028 14.966 1.00 57.49 ? 61 VAL B C 1 ATOM 2177 O O . VAL B 1 61 ? -17.235 71.773 15.731 1.00 54.70 ? 61 VAL B O 1 ATOM 2178 C CB . VAL B 1 61 ? -15.249 69.977 13.987 1.00 57.52 ? 61 VAL B CB 1 ATOM 2179 C CG1 . VAL B 1 61 ? -16.496 69.197 14.342 1.00 56.06 ? 61 VAL B CG1 1 ATOM 2180 C CG2 . VAL B 1 61 ? -15.318 70.454 12.556 1.00 60.45 ? 61 VAL B CG2 1 ATOM 2181 N N . THR B 1 62 ? -16.298 73.071 14.149 1.00 58.56 ? 62 THR B N 1 ATOM 2182 C CA . THR B 1 62 ? -17.445 73.948 14.047 1.00 59.15 ? 62 THR B CA 1 ATOM 2183 C C . THR B 1 62 ? -17.912 73.999 12.591 1.00 56.31 ? 62 THR B C 1 ATOM 2184 O O . THR B 1 62 ? -17.127 73.769 11.669 1.00 58.93 ? 62 THR B O 1 ATOM 2185 C CB . THR B 1 62 ? -17.126 75.349 14.606 1.00 63.70 ? 62 THR B CB 1 ATOM 2186 O OG1 . THR B 1 62 ? -18.307 76.156 14.563 1.00 75.00 ? 62 THR B OG1 1 ATOM 2187 C CG2 . THR B 1 62 ? -16.008 76.018 13.824 1.00 61.96 ? 62 THR B CG2 1 ATOM 2188 N N . ALA B 1 63 ? -19.203 74.255 12.399 1.00 51.97 ? 63 ALA B N 1 ATOM 2189 C CA . ALA B 1 63 ? -19.805 74.309 11.072 1.00 49.15 ? 63 ALA B CA 1 ATOM 2190 C C . ALA B 1 63 ? -18.990 75.114 10.063 1.00 49.76 ? 63 ALA B C 1 ATOM 2191 O O . ALA B 1 63 ? -18.526 76.219 10.361 1.00 46.83 ? 63 ALA B O 1 ATOM 2192 C CB . ALA B 1 63 ? -21.217 74.849 11.169 1.00 46.57 ? 63 ALA B CB 1 ATOM 2193 N N . GLY B 1 64 ? -18.793 74.535 8.881 1.00 49.03 ? 64 GLY B N 1 ATOM 2194 C CA . GLY B 1 64 ? -18.033 75.208 7.842 1.00 50.51 ? 64 GLY B CA 1 ATOM 2195 C C . GLY B 1 64 ? -16.570 74.810 7.792 1.00 51.69 ? 64 GLY B C 1 ATOM 2196 O O . GLY B 1 64 ? -15.859 75.171 6.853 1.00 54.66 ? 64 GLY B O 1 ATOM 2197 N N . ASP B 1 65 ? -16.110 74.112 8.826 1.00 50.12 ? 65 ASP B N 1 ATOM 2198 C CA . ASP B 1 65 ? -14.731 73.642 8.893 1.00 47.59 ? 65 ASP B CA 1 ATOM 2199 C C . ASP B 1 65 ? -14.562 72.473 7.935 1.00 48.00 ? 65 ASP B C 1 ATOM 2200 O O . ASP B 1 65 ? -15.541 71.984 7.364 1.00 44.15 ? 65 ASP B O 1 ATOM 2201 C CB . ASP B 1 65 ? -14.390 73.161 10.308 1.00 49.03 ? 65 ASP B CB 1 ATOM 2202 C CG . ASP B 1 65 ? -14.092 74.295 11.262 1.00 50.21 ? 65 ASP B CG 1 ATOM 2203 O OD1 . ASP B 1 65 ? -14.035 74.035 12.482 1.00 56.30 ? 65 ASP B OD1 1 ATOM 2204 O OD2 . ASP B 1 65 ? -13.896 75.442 10.810 1.00 58.20 ? 65 ASP B OD2 1 ATOM 2205 N N . TYR B 1 66 ? -13.317 72.028 7.772 1.00 48.65 ? 66 TYR B N 1 ATOM 2206 C CA . TYR B 1 66 ? -13.002 70.900 6.900 1.00 49.75 ? 66 TYR B CA 1 ATOM 2207 C C . TYR B 1 66 ? -12.242 69.826 7.663 1.00 49.63 ? 66 TYR B C 1 ATOM 2208 O O . TYR B 1 66 ? -11.376 70.120 8.496 1.00 52.63 ? 66 TYR B O 1 ATOM 2209 C CB . TYR B 1 66 ? -12.154 71.332 5.698 1.00 48.75 ? 66 TYR B CB 1 ATOM 2210 C CG . TYR B 1 66 ? -12.850 72.235 4.704 1.00 49.39 ? 66 TYR B CG 1 ATOM 2211 C CD1 . TYR B 1 66 ? -12.851 73.619 4.876 1.00 50.65 ? 66 TYR B CD1 1 ATOM 2212 C CD2 . TYR B 1 66 ? -13.468 71.714 3.569 1.00 45.98 ? 66 TYR B CD2 1 ATOM 2213 C CE1 . TYR B 1 66 ? -13.445 74.463 3.944 1.00 54.12 ? 66 TYR B CE1 1 ATOM 2214 C CE2 . TYR B 1 66 ? -14.067 72.548 2.630 1.00 50.61 ? 66 TYR B CE2 1 ATOM 2215 C CZ . TYR B 1 66 ? -14.050 73.924 2.824 1.00 52.90 ? 66 TYR B CZ 1 ATOM 2216 O OH . TYR B 1 66 ? -14.621 74.773 1.899 1.00 61.03 ? 66 TYR B OH 1 ATOM 2217 N N . VAL B 1 67 ? -12.591 68.575 7.392 1.00 46.60 ? 67 VAL B N 1 ATOM 2218 C CA . VAL B 1 67 ? -11.920 67.451 8.025 1.00 42.78 ? 67 VAL B CA 1 ATOM 2219 C C . VAL B 1 67 ? -11.455 66.511 6.924 1.00 42.71 ? 67 VAL B C 1 ATOM 2220 O O . VAL B 1 67 ? -12.255 66.034 6.120 1.00 39.69 ? 67 VAL B O 1 ATOM 2221 C CB . VAL B 1 67 ? -12.839 66.688 8.991 1.00 37.90 ? 67 VAL B CB 1 ATOM 2222 C CG1 . VAL B 1 67 ? -12.047 65.631 9.720 1.00 30.07 ? 67 VAL B CG1 1 ATOM 2223 C CG2 . VAL B 1 67 ? -13.458 67.647 9.987 1.00 40.23 ? 67 VAL B CG2 1 ATOM 2224 N N . ILE B 1 68 ? -10.147 66.299 6.863 1.00 42.83 ? 68 ILE B N 1 ATOM 2225 C CA . ILE B 1 68 ? -9.545 65.432 5.866 1.00 37.33 ? 68 ILE B CA 1 ATOM 2226 C C . ILE B 1 68 ? -9.051 64.169 6.554 1.00 38.04 ? 68 ILE B C 1 ATOM 2227 O O . ILE B 1 68 ? -8.209 64.229 7.456 1.00 37.52 ? 68 ILE B O 1 ATOM 2228 C CB . ILE B 1 68 ? -8.374 66.139 5.184 1.00 31.16 ? 68 ILE B CB 1 ATOM 2229 C CG1 . ILE B 1 68 ? -8.852 67.454 4.578 1.00 31.60 ? 68 ILE B CG1 1 ATOM 2230 C CG2 . ILE B 1 68 ? -7.778 65.253 4.120 1.00 29.94 ? 68 ILE B CG2 1 ATOM 2231 C CD1 . ILE B 1 68 ? -7.746 68.293 4.025 1.00 28.93 ? 68 ILE B CD1 1 ATOM 2232 N N . VAL B 1 69 ? -9.586 63.030 6.129 1.00 34.13 ? 69 VAL B N 1 ATOM 2233 C CA . VAL B 1 69 ? -9.226 61.747 6.712 1.00 30.94 ? 69 VAL B CA 1 ATOM 2234 C C . VAL B 1 69 ? -8.495 60.872 5.701 1.00 31.46 ? 69 VAL B C 1 ATOM 2235 O O . VAL B 1 69 ? -8.990 60.635 4.605 1.00 35.29 ? 69 VAL B O 1 ATOM 2236 C CB . VAL B 1 69 ? -10.489 61.019 7.201 1.00 27.28 ? 69 VAL B CB 1 ATOM 2237 C CG1 . VAL B 1 69 ? -10.134 59.713 7.882 1.00 28.36 ? 69 VAL B CG1 1 ATOM 2238 C CG2 . VAL B 1 69 ? -11.271 61.917 8.133 1.00 25.97 ? 69 VAL B CG2 1 ATOM 2239 N N . GLU B 1 70 ? -7.326 60.371 6.081 1.00 30.91 ? 70 GLU B N 1 ATOM 2240 C CA . GLU B 1 70 ? -6.545 59.526 5.190 1.00 30.10 ? 70 GLU B CA 1 ATOM 2241 C C . GLU B 1 70 ? -5.798 58.470 5.973 1.00 27.92 ? 70 GLU B C 1 ATOM 2242 O O . GLU B 1 70 ? -4.875 58.785 6.727 1.00 33.29 ? 70 GLU B O 1 ATOM 2243 C CB . GLU B 1 70 ? -5.560 60.384 4.397 1.00 31.75 ? 70 GLU B CB 1 ATOM 2244 C CG . GLU B 1 70 ? -4.695 59.616 3.409 1.00 33.57 ? 70 GLU B CG 1 ATOM 2245 C CD . GLU B 1 70 ? -3.740 60.525 2.661 1.00 33.06 ? 70 GLU B CD 1 ATOM 2246 O OE1 . GLU B 1 70 ? -2.514 60.448 2.892 1.00 27.69 ? 70 GLU B OE1 1 ATOM 2247 O OE2 . GLU B 1 70 ? -4.220 61.333 1.848 1.00 30.77 ? 70 GLU B OE2 1 ATOM 2248 N N . PHE B 1 71 ? -6.205 57.219 5.784 1.00 29.46 ? 71 PHE B N 1 ATOM 2249 C CA . PHE B 1 71 ? -5.595 56.068 6.453 1.00 33.24 ? 71 PHE B CA 1 ATOM 2250 C C . PHE B 1 71 ? -5.429 54.925 5.466 1.00 33.64 ? 71 PHE B C 1 ATOM 2251 O O . PHE B 1 71 ? -5.989 54.960 4.366 1.00 38.88 ? 71 PHE B O 1 ATOM 2252 C CB . PHE B 1 71 ? -6.474 55.563 7.610 1.00 32.73 ? 71 PHE B CB 1 ATOM 2253 C CG . PHE B 1 71 ? -6.482 56.464 8.806 1.00 34.29 ? 71 PHE B CG 1 ATOM 2254 C CD1 . PHE B 1 71 ? -7.550 57.324 9.031 1.00 36.24 ? 71 PHE B CD1 1 ATOM 2255 C CD2 . PHE B 1 71 ? -5.417 56.468 9.696 1.00 30.66 ? 71 PHE B CD2 1 ATOM 2256 C CE1 . PHE B 1 71 ? -7.557 58.178 10.125 1.00 34.51 ? 71 PHE B CE1 1 ATOM 2257 C CE2 . PHE B 1 71 ? -5.414 57.315 10.788 1.00 31.59 ? 71 PHE B CE2 1 ATOM 2258 C CZ . PHE B 1 71 ? -6.486 58.173 11.002 1.00 34.24 ? 71 PHE B CZ 1 ATOM 2259 N N . GLY B 1 72 ? -4.688 53.897 5.878 1.00 34.67 ? 72 GLY B N 1 ATOM 2260 C CA . GLY B 1 72 ? -4.480 52.748 5.023 1.00 26.94 ? 72 GLY B CA 1 ATOM 2261 C C . GLY B 1 72 ? -3.193 52.005 5.301 1.00 29.44 ? 72 GLY B C 1 ATOM 2262 O O . GLY B 1 72 ? -3.193 50.783 5.414 1.00 34.33 ? 72 GLY B O 1 ATOM 2263 N N . HIS B 1 73 ? -2.097 52.739 5.434 1.00 29.01 ? 73 HIS B N 1 ATOM 2264 C CA . HIS B 1 73 ? -0.797 52.130 5.673 1.00 33.61 ? 73 HIS B CA 1 ATOM 2265 C C . HIS B 1 73 ? -0.705 51.130 6.825 1.00 38.04 ? 73 HIS B C 1 ATOM 2266 O O . HIS B 1 73 ? -0.019 50.105 6.717 1.00 40.01 ? 73 HIS B O 1 ATOM 2267 C CB . HIS B 1 73 ? 0.252 53.217 5.865 1.00 38.24 ? 73 HIS B CB 1 ATOM 2268 C CG . HIS B 1 73 ? 0.844 53.709 4.584 1.00 39.35 ? 73 HIS B CG 1 ATOM 2269 N ND1 . HIS B 1 73 ? 0.561 54.951 4.061 1.00 41.86 ? 73 HIS B ND1 1 ATOM 2270 C CD2 . HIS B 1 73 ? 1.713 53.127 3.723 1.00 38.90 ? 73 HIS B CD2 1 ATOM 2271 C CE1 . HIS B 1 73 ? 1.234 55.117 2.936 1.00 38.29 ? 73 HIS B CE1 1 ATOM 2272 N NE2 . HIS B 1 73 ? 1.939 54.024 2.708 1.00 39.55 ? 73 HIS B NE2 1 ATOM 2273 N N . ASN B 1 74 ? -1.395 51.425 7.922 1.00 39.33 ? 74 ASN B N 1 ATOM 2274 C CA . ASN B 1 74 ? -1.351 50.562 9.097 1.00 40.89 ? 74 ASN B CA 1 ATOM 2275 C C . ASN B 1 74 ? -2.617 49.746 9.316 1.00 38.83 ? 74 ASN B C 1 ATOM 2276 O O . ASN B 1 74 ? -2.772 49.107 10.352 1.00 38.29 ? 74 ASN B O 1 ATOM 2277 C CB . ASN B 1 74 ? -1.082 51.412 10.342 1.00 40.45 ? 74 ASN B CB 1 ATOM 2278 C CG . ASN B 1 74 ? 0.177 52.235 10.224 1.00 36.92 ? 74 ASN B CG 1 ATOM 2279 O OD1 . ASN B 1 74 ? 1.277 51.701 10.114 1.00 41.97 ? 74 ASN B OD1 1 ATOM 2280 N ND2 . ASN B 1 74 ? 0.020 53.545 10.234 1.00 40.84 ? 74 ASN B ND2 1 ATOM 2281 N N . ASP B 1 75 ? -3.498 49.722 8.327 1.00 34.15 ? 75 ASP B N 1 ATOM 2282 C CA . ASP B 1 75 ? -4.764 49.012 8.463 1.00 33.46 ? 75 ASP B CA 1 ATOM 2283 C C . ASP B 1 75 ? -4.799 47.518 8.121 1.00 36.16 ? 75 ASP B C 1 ATOM 2284 O O . ASP B 1 75 ? -5.825 46.861 8.303 1.00 35.79 ? 75 ASP B O 1 ATOM 2285 C CB . ASP B 1 75 ? -5.848 49.763 7.696 1.00 27.95 ? 75 ASP B CB 1 ATOM 2286 C CG . ASP B 1 75 ? -6.090 51.152 8.248 1.00 28.56 ? 75 ASP B CG 1 ATOM 2287 O OD1 . ASP B 1 75 ? -7.142 51.381 8.867 1.00 36.04 ? 75 ASP B OD1 1 ATOM 2288 O OD2 . ASP B 1 75 ? -5.227 52.025 8.076 1.00 36.78 ? 75 ASP B OD2 1 ATOM 2289 N N . GLY B 1 76 ? -3.690 46.983 7.621 1.00 39.22 ? 76 GLY B N 1 ATOM 2290 C CA . GLY B 1 76 ? -3.648 45.573 7.277 1.00 39.38 ? 76 GLY B CA 1 ATOM 2291 C C . GLY B 1 76 ? -3.104 44.722 8.406 1.00 44.41 ? 76 GLY B C 1 ATOM 2292 O O . GLY B 1 76 ? -3.097 45.152 9.560 1.00 50.42 ? 76 GLY B O 1 ATOM 2293 N N . GLY B 1 77 ? -2.647 43.516 8.073 1.00 47.50 ? 77 GLY B N 1 ATOM 2294 C CA . GLY B 1 77 ? -2.101 42.617 9.076 1.00 53.04 ? 77 GLY B CA 1 ATOM 2295 C C . GLY B 1 77 ? -3.013 41.453 9.427 1.00 52.62 ? 77 GLY B C 1 ATOM 2296 O O . GLY B 1 77 ? -4.045 41.235 8.785 1.00 48.90 ? 77 GLY B O 1 ATOM 2297 N N . SER B 1 78 ? -2.650 40.711 10.466 1.00 54.26 ? 78 SER B N 1 ATOM 2298 C CA . SER B 1 78 ? -3.453 39.574 10.866 1.00 55.88 ? 78 SER B CA 1 ATOM 2299 C C . SER B 1 78 ? -3.890 39.694 12.313 1.00 54.26 ? 78 SER B C 1 ATOM 2300 O O . SER B 1 78 ? -3.119 40.114 13.177 1.00 58.96 ? 78 SER B O 1 ATOM 2301 C CB . SER B 1 78 ? -2.681 38.273 10.650 1.00 62.35 ? 78 SER B CB 1 ATOM 2302 O OG . SER B 1 78 ? -3.563 37.166 10.603 1.00 64.98 ? 78 SER B OG 1 ATOM 2303 N N . LEU B 1 79 ? -5.138 39.307 12.559 1.00 49.64 ? 79 LEU B N 1 ATOM 2304 C CA . LEU B 1 79 ? -5.743 39.346 13.883 1.00 48.73 ? 79 LEU B CA 1 ATOM 2305 C C . LEU B 1 79 ? -5.329 38.179 14.797 1.00 52.67 ? 79 LEU B C 1 ATOM 2306 O O . LEU B 1 79 ? -5.697 38.154 15.978 1.00 56.13 ? 79 LEU B O 1 ATOM 2307 C CB . LEU B 1 79 ? -7.267 39.408 13.744 1.00 44.77 ? 79 LEU B CB 1 ATOM 2308 C CG . LEU B 1 79 ? -7.970 40.730 14.059 1.00 39.75 ? 79 LEU B CG 1 ATOM 2309 C CD1 . LEU B 1 79 ? -7.142 41.909 13.662 1.00 42.68 ? 79 LEU B CD1 1 ATOM 2310 C CD2 . LEU B 1 79 ? -9.299 40.764 13.369 1.00 38.33 ? 79 LEU B CD2 1 ATOM 2311 N N . SER B 1 80 ? -4.584 37.212 14.253 1.00 57.67 ? 80 SER B N 1 ATOM 2312 C CA . SER B 1 80 ? -4.102 36.061 15.031 1.00 60.97 ? 80 SER B CA 1 ATOM 2313 C C . SER B 1 80 ? -3.211 36.625 16.128 1.00 62.25 ? 80 SER B C 1 ATOM 2314 O O . SER B 1 80 ? -3.266 36.202 17.288 1.00 64.11 ? 80 SER B O 1 ATOM 2315 C CB . SER B 1 80 ? -3.273 35.130 14.149 1.00 63.46 ? 80 SER B CB 1 ATOM 2316 O OG . SER B 1 80 ? -3.975 34.790 12.973 1.00 67.52 ? 80 SER B OG 1 ATOM 2317 N N . THR B 1 81 ? -2.357 37.558 15.716 1.00 58.29 ? 81 THR B N 1 ATOM 2318 C CA . THR B 1 81 ? -1.460 38.268 16.610 1.00 59.10 ? 81 THR B CA 1 ATOM 2319 C C . THR B 1 81 ? -1.835 39.733 16.431 1.00 54.46 ? 81 THR B C 1 ATOM 2320 O O . THR B 1 81 ? -1.148 40.491 15.742 1.00 58.48 ? 81 THR B O 1 ATOM 2321 C CB . THR B 1 81 ? 0.006 38.046 16.239 1.00 58.89 ? 81 THR B CB 1 ATOM 2322 O OG1 . THR B 1 81 ? 0.148 38.116 14.820 1.00 64.68 ? 81 THR B OG1 1 ATOM 2323 C CG2 . THR B 1 81 ? 0.473 36.692 16.731 1.00 60.62 ? 81 THR B CG2 1 ATOM 2324 N N . ASP B 1 82 ? -2.978 40.088 17.015 1.00 46.68 ? 82 ASP B N 1 ATOM 2325 C CA . ASP B 1 82 ? -3.540 41.431 16.953 1.00 44.13 ? 82 ASP B CA 1 ATOM 2326 C C . ASP B 1 82 ? -2.528 42.487 17.375 1.00 44.33 ? 82 ASP B C 1 ATOM 2327 O O . ASP B 1 82 ? -2.077 42.492 18.523 1.00 47.69 ? 82 ASP B O 1 ATOM 2328 C CB . ASP B 1 82 ? -4.769 41.504 17.865 1.00 38.85 ? 82 ASP B CB 1 ATOM 2329 C CG . ASP B 1 82 ? -5.672 42.676 17.547 1.00 40.15 ? 82 ASP B CG 1 ATOM 2330 O OD1 . ASP B 1 82 ? -5.248 43.627 16.853 1.00 42.54 ? 82 ASP B OD1 1 ATOM 2331 O OD2 . ASP B 1 82 ? -6.827 42.642 18.000 1.00 37.07 ? 82 ASP B OD2 1 ATOM 2332 N N . ASN B 1 83 ? -2.155 43.359 16.441 1.00 41.30 ? 83 ASN B N 1 ATOM 2333 C CA . ASN B 1 83 ? -1.206 44.429 16.737 1.00 38.50 ? 83 ASN B CA 1 ATOM 2334 C C . ASN B 1 83 ? -1.943 45.701 17.182 1.00 38.02 ? 83 ASN B C 1 ATOM 2335 O O . ASN B 1 83 ? -1.328 46.747 17.412 1.00 40.01 ? 83 ASN B O 1 ATOM 2336 C CB . ASN B 1 83 ? -0.300 44.709 15.528 1.00 38.93 ? 83 ASN B CB 1 ATOM 2337 C CG . ASN B 1 83 ? -1.062 45.231 14.317 1.00 42.15 ? 83 ASN B CG 1 ATOM 2338 O OD1 . ASN B 1 83 ? -2.282 45.441 14.360 1.00 40.99 ? 83 ASN B OD1 1 ATOM 2339 N ND2 . ASN B 1 83 ? -0.340 45.441 13.223 1.00 38.02 ? 83 ASN B ND2 1 ATOM 2340 N N . GLY B 1 84 ? -3.265 45.605 17.284 1.00 33.44 ? 84 GLY B N 1 ATOM 2341 C CA . GLY B 1 84 ? -4.057 46.742 17.712 1.00 33.01 ? 84 GLY B CA 1 ATOM 2342 C C . GLY B 1 84 ? -4.520 47.660 16.602 1.00 33.48 ? 84 GLY B C 1 ATOM 2343 O O . GLY B 1 84 ? -5.364 48.522 16.823 1.00 32.02 ? 84 GLY B O 1 ATOM 2344 N N . ARG B 1 85 ? -4.005 47.472 15.396 1.00 36.58 ? 85 ARG B N 1 ATOM 2345 C CA . ARG B 1 85 ? -4.409 48.339 14.306 1.00 35.86 ? 85 ARG B CA 1 ATOM 2346 C C . ARG B 1 85 ? -5.225 47.710 13.193 1.00 35.49 ? 85 ARG B C 1 ATOM 2347 O O . ARG B 1 85 ? -6.104 48.358 12.627 1.00 37.70 ? 85 ARG B O 1 ATOM 2348 C CB . ARG B 1 85 ? -3.198 49.060 13.740 1.00 31.13 ? 85 ARG B CB 1 ATOM 2349 C CG . ARG B 1 85 ? -2.733 50.142 14.651 1.00 36.33 ? 85 ARG B CG 1 ATOM 2350 C CD . ARG B 1 85 ? -1.645 49.655 15.539 1.00 42.05 ? 85 ARG B CD 1 ATOM 2351 N NE . ARG B 1 85 ? -0.370 49.962 14.913 1.00 57.34 ? 85 ARG B NE 1 ATOM 2352 C CZ . ARG B 1 85 ? 0.784 49.367 15.198 1.00 60.98 ? 85 ARG B CZ 1 ATOM 2353 N NH1 . ARG B 1 85 ? 0.839 48.405 16.118 1.00 55.86 ? 85 ARG B NH1 1 ATOM 2354 N NH2 . ARG B 1 85 ? 1.890 49.742 14.554 1.00 65.29 ? 85 ARG B NH2 1 ATOM 2355 N N . THR B 1 86 ? -4.950 46.444 12.906 1.00 36.37 ? 86 THR B N 1 ATOM 2356 C CA . THR B 1 86 ? -5.624 45.706 11.840 1.00 34.10 ? 86 THR B CA 1 ATOM 2357 C C . THR B 1 86 ? -7.145 45.776 11.890 1.00 34.80 ? 86 THR B C 1 ATOM 2358 O O . THR B 1 86 ? -7.747 45.474 12.921 1.00 37.60 ? 86 THR B O 1 ATOM 2359 C CB . THR B 1 86 ? -5.212 44.239 11.879 1.00 32.23 ? 86 THR B CB 1 ATOM 2360 O OG1 . THR B 1 86 ? -3.784 44.158 11.903 1.00 36.29 ? 86 THR B OG1 1 ATOM 2361 C CG2 . THR B 1 86 ? -5.747 43.488 10.668 1.00 27.22 ? 86 THR B CG2 1 ATOM 2362 N N . ASP B 1 87 ? -7.761 46.198 10.787 1.00 34.46 ? 87 ASP B N 1 ATOM 2363 C CA . ASP B 1 87 ? -9.221 46.276 10.717 1.00 35.80 ? 87 ASP B CA 1 ATOM 2364 C C . ASP B 1 87 ? -9.769 44.895 10.378 1.00 37.04 ? 87 ASP B C 1 ATOM 2365 O O . ASP B 1 87 ? -9.015 43.989 10.019 1.00 34.61 ? 87 ASP B O 1 ATOM 2366 C CB . ASP B 1 87 ? -9.680 47.231 9.610 1.00 34.23 ? 87 ASP B CB 1 ATOM 2367 C CG . ASP B 1 87 ? -9.111 48.625 9.743 1.00 35.43 ? 87 ASP B CG 1 ATOM 2368 O OD1 . ASP B 1 87 ? -8.590 49.134 8.743 1.00 42.27 ? 87 ASP B OD1 1 ATOM 2369 O OD2 . ASP B 1 87 ? -9.220 49.242 10.814 1.00 42.66 ? 87 ASP B OD2 1 ATOM 2370 N N . CYS B 1 88 ? -11.087 44.750 10.471 1.00 38.31 ? 88 CYS B N 1 ATOM 2371 C CA . CYS B 1 88 ? -11.754 43.496 10.133 1.00 38.54 ? 88 CYS B CA 1 ATOM 2372 C C . CYS B 1 88 ? -11.893 43.482 8.612 1.00 40.34 ? 88 CYS B C 1 ATOM 2373 O O . CYS B 1 88 ? -12.222 44.518 8.015 1.00 40.32 ? 88 CYS B O 1 ATOM 2374 C CB . CYS B 1 88 ? -13.132 43.453 10.787 1.00 38.46 ? 88 CYS B CB 1 ATOM 2375 S SG . CYS B 1 88 ? -14.075 41.910 10.570 1.00 34.13 ? 88 CYS B SG 1 ATOM 2376 N N . SER B 1 89 ? -11.623 42.331 7.988 1.00 37.28 ? 89 SER B N 1 ATOM 2377 C CA . SER B 1 89 ? -11.701 42.213 6.535 1.00 38.61 ? 89 SER B CA 1 ATOM 2378 C C . SER B 1 89 ? -13.118 42.427 6.010 1.00 41.56 ? 89 SER B C 1 ATOM 2379 O O . SER B 1 89 ? -14.105 42.069 6.666 1.00 39.92 ? 89 SER B O 1 ATOM 2380 C CB . SER B 1 89 ? -11.161 40.861 6.071 1.00 36.40 ? 89 SER B CB 1 ATOM 2381 O OG . SER B 1 89 ? -9.782 40.737 6.356 1.00 41.31 ? 89 SER B OG 1 ATOM 2382 N N . GLY B 1 90 ? -13.214 43.020 4.824 1.00 39.58 ? 90 GLY B N 1 ATOM 2383 C CA . GLY B 1 90 ? -14.515 43.274 4.244 1.00 35.94 ? 90 GLY B CA 1 ATOM 2384 C C . GLY B 1 90 ? -14.698 44.745 3.958 1.00 35.82 ? 90 GLY B C 1 ATOM 2385 O O . GLY B 1 90 ? -13.815 45.553 4.254 1.00 35.57 ? 90 GLY B O 1 ATOM 2386 N N . THR B 1 91 ? -15.850 45.100 3.400 1.00 31.71 ? 91 THR B N 1 ATOM 2387 C CA . THR B 1 91 ? -16.133 46.487 3.063 1.00 34.79 ? 91 THR B CA 1 ATOM 2388 C C . THR B 1 91 ? -17.461 46.970 3.649 1.00 35.79 ? 91 THR B C 1 ATOM 2389 O O . THR B 1 91 ? -17.824 48.144 3.492 1.00 38.48 ? 91 THR B O 1 ATOM 2390 C CB . THR B 1 91 ? -16.198 46.680 1.532 1.00 36.19 ? 91 THR B CB 1 ATOM 2391 O OG1 . THR B 1 91 ? -17.325 45.968 1.012 1.00 37.12 ? 91 THR B OG1 1 ATOM 2392 C CG2 . THR B 1 91 ? -14.936 46.158 0.861 1.00 31.82 ? 91 THR B CG2 1 ATOM 2393 N N . GLY B 1 92 ? -18.180 46.080 4.333 1.00 34.46 ? 92 GLY B N 1 ATOM 2394 C CA . GLY B 1 92 ? -19.471 46.459 4.890 1.00 36.08 ? 92 GLY B CA 1 ATOM 2395 C C . GLY B 1 92 ? -19.666 46.303 6.386 1.00 37.74 ? 92 GLY B C 1 ATOM 2396 O O . GLY B 1 92 ? -18.812 46.692 7.188 1.00 42.44 ? 92 GLY B O 1 ATOM 2397 N N . ALA B 1 93 ? -20.801 45.709 6.755 1.00 41.08 ? 93 ALA B N 1 ATOM 2398 C CA . ALA B 1 93 ? -21.162 45.500 8.158 1.00 39.19 ? 93 ALA B CA 1 ATOM 2399 C C . ALA B 1 93 ? -20.432 44.377 8.873 1.00 38.90 ? 93 ALA B C 1 ATOM 2400 O O . ALA B 1 93 ? -20.790 44.031 10.003 1.00 40.17 ? 93 ALA B O 1 ATOM 2401 C CB . ALA B 1 93 ? -22.660 45.315 8.298 1.00 36.51 ? 93 ALA B CB 1 ATOM 2402 N N . GLU B 1 94 ? -19.417 43.808 8.228 1.00 40.87 ? 94 GLU B N 1 ATOM 2403 C CA . GLU B 1 94 ? -18.636 42.739 8.848 1.00 44.10 ? 94 GLU B CA 1 ATOM 2404 C C . GLU B 1 94 ? -18.084 43.201 10.204 1.00 45.68 ? 94 GLU B C 1 ATOM 2405 O O . GLU B 1 94 ? -17.711 44.373 10.390 1.00 42.20 ? 94 GLU B O 1 ATOM 2406 C CB . GLU B 1 94 ? -17.481 42.279 7.942 1.00 43.23 ? 94 GLU B CB 1 ATOM 2407 C CG . GLU B 1 94 ? -17.894 41.440 6.738 1.00 40.56 ? 94 GLU B CG 1 ATOM 2408 C CD . GLU B 1 94 ? -18.047 42.238 5.451 1.00 41.79 ? 94 GLU B CD 1 ATOM 2409 O OE1 . GLU B 1 94 ? -18.199 43.471 5.503 1.00 42.25 ? 94 GLU B OE1 1 ATOM 2410 O OE2 . GLU B 1 94 ? -18.011 41.617 4.372 1.00 47.88 ? 94 GLU B OE2 1 ATOM 2411 N N . VAL B 1 95 ? -18.056 42.268 11.149 1.00 45.83 ? 95 VAL B N 1 ATOM 2412 C CA . VAL B 1 95 ? -17.586 42.549 12.492 1.00 45.43 ? 95 VAL B CA 1 ATOM 2413 C C . VAL B 1 95 ? -16.711 41.414 13.030 1.00 42.56 ? 95 VAL B C 1 ATOM 2414 O O . VAL B 1 95 ? -17.096 40.253 13.021 1.00 41.67 ? 95 VAL B O 1 ATOM 2415 C CB . VAL B 1 95 ? -18.786 42.832 13.442 1.00 42.76 ? 95 VAL B CB 1 ATOM 2416 C CG1 . VAL B 1 95 ? -19.660 41.597 13.589 1.00 56.43 ? 95 VAL B CG1 1 ATOM 2417 C CG2 . VAL B 1 95 ? -18.300 43.288 14.786 1.00 46.94 ? 95 VAL B CG2 1 ATOM 2418 N N . CYS B 1 96 ? -15.496 41.766 13.429 1.00 44.98 ? 96 CYS B N 1 ATOM 2419 C CA . CYS B 1 96 ? -14.543 40.812 13.982 1.00 42.50 ? 96 CYS B CA 1 ATOM 2420 C C . CYS B 1 96 ? -14.401 41.052 15.487 1.00 44.52 ? 96 CYS B C 1 ATOM 2421 O O . CYS B 1 96 ? -14.627 42.160 15.974 1.00 42.62 ? 96 CYS B O 1 ATOM 2422 C CB . CYS B 1 96 ? -13.171 40.999 13.335 1.00 37.76 ? 96 CYS B CB 1 ATOM 2423 S SG . CYS B 1 96 ? -13.011 40.521 11.589 1.00 40.55 ? 96 CYS B SG 1 ATOM 2424 N N . TYR B 1 97 ? -14.023 40.011 16.222 1.00 47.02 ? 97 TYR B N 1 ATOM 2425 C CA . TYR B 1 97 ? -13.821 40.115 17.663 1.00 45.34 ? 97 TYR B CA 1 ATOM 2426 C C . TYR B 1 97 ? -12.408 39.674 17.961 1.00 44.94 ? 97 TYR B C 1 ATOM 2427 O O . TYR B 1 97 ? -11.912 38.710 17.369 1.00 43.75 ? 97 TYR B O 1 ATOM 2428 C CB . TYR B 1 97 ? -14.803 39.230 18.430 1.00 47.17 ? 97 TYR B CB 1 ATOM 2429 C CG . TYR B 1 97 ? -16.218 39.718 18.352 1.00 51.32 ? 97 TYR B CG 1 ATOM 2430 C CD1 . TYR B 1 97 ? -17.148 39.091 17.522 1.00 53.19 ? 97 TYR B CD1 1 ATOM 2431 C CD2 . TYR B 1 97 ? -16.618 40.846 19.067 1.00 51.21 ? 97 TYR B CD2 1 ATOM 2432 C CE1 . TYR B 1 97 ? -18.446 39.585 17.399 1.00 59.02 ? 97 TYR B CE1 1 ATOM 2433 C CE2 . TYR B 1 97 ? -17.909 41.351 18.955 1.00 54.19 ? 97 TYR B CE2 1 ATOM 2434 C CZ . TYR B 1 97 ? -18.820 40.722 18.120 1.00 59.64 ? 97 TYR B CZ 1 ATOM 2435 O OH . TYR B 1 97 ? -20.098 41.235 17.997 1.00 60.18 ? 97 TYR B OH 1 ATOM 2436 N N . SER B 1 98 ? -11.750 40.408 18.851 1.00 45.06 ? 98 SER B N 1 ATOM 2437 C CA . SER B 1 98 ? -10.382 40.091 19.240 1.00 44.98 ? 98 SER B CA 1 ATOM 2438 C C . SER B 1 98 ? -10.046 40.709 20.582 1.00 45.54 ? 98 SER B C 1 ATOM 2439 O O . SER B 1 98 ? -10.474 41.826 20.894 1.00 44.59 ? 98 SER B O 1 ATOM 2440 C CB . SER B 1 98 ? -9.388 40.586 18.190 1.00 41.09 ? 98 SER B CB 1 ATOM 2441 O OG . SER B 1 98 ? -8.062 40.235 18.543 1.00 40.77 ? 98 SER B OG 1 ATOM 2442 N N . VAL B 1 99 ? -9.324 39.945 21.394 1.00 46.69 ? 99 VAL B N 1 ATOM 2443 C CA . VAL B 1 99 ? -8.906 40.416 22.697 1.00 46.11 ? 99 VAL B CA 1 ATOM 2444 C C . VAL B 1 99 ? -7.605 41.153 22.500 1.00 46.21 ? 99 VAL B C 1 ATOM 2445 O O . VAL B 1 99 ? -6.583 40.546 22.181 1.00 44.87 ? 99 VAL B O 1 ATOM 2446 C CB . VAL B 1 99 ? -8.665 39.269 23.687 1.00 44.30 ? 99 VAL B CB 1 ATOM 2447 C CG1 . VAL B 1 99 ? -8.064 39.823 24.970 1.00 41.95 ? 99 VAL B CG1 1 ATOM 2448 C CG2 . VAL B 1 99 ? -9.976 38.541 23.980 1.00 43.57 ? 99 VAL B CG2 1 ATOM 2449 N N . TYR B 1 100 ? -7.664 42.473 22.632 1.00 45.75 ? 100 TYR B N 1 ATOM 2450 C CA . TYR B 1 100 ? -6.480 43.305 22.492 1.00 42.07 ? 100 TYR B CA 1 ATOM 2451 C C . TYR B 1 100 ? -6.320 44.158 23.732 1.00 44.55 ? 100 TYR B C 1 ATOM 2452 O O . TYR B 1 100 ? -7.221 44.922 24.077 1.00 44.41 ? 100 TYR B O 1 ATOM 2453 C CB . TYR B 1 100 ? -6.574 44.220 21.283 1.00 36.28 ? 100 TYR B CB 1 ATOM 2454 C CG . TYR B 1 100 ? -5.397 45.144 21.214 1.00 32.74 ? 100 TYR B CG 1 ATOM 2455 C CD1 . TYR B 1 100 ? -4.136 44.667 20.862 1.00 31.07 ? 100 TYR B CD1 1 ATOM 2456 C CD2 . TYR B 1 100 ? -5.522 46.481 21.571 1.00 36.45 ? 100 TYR B CD2 1 ATOM 2457 C CE1 . TYR B 1 100 ? -3.027 45.500 20.873 1.00 31.71 ? 100 TYR B CE1 1 ATOM 2458 C CE2 . TYR B 1 100 ? -4.416 47.323 21.590 1.00 32.53 ? 100 TYR B CE2 1 ATOM 2459 C CZ . TYR B 1 100 ? -3.176 46.823 21.242 1.00 36.54 ? 100 TYR B CZ 1 ATOM 2460 O OH . TYR B 1 100 ? -2.075 47.636 21.290 1.00 38.27 ? 100 TYR B OH 1 ATOM 2461 N N . ASP B 1 101 ? -5.157 44.040 24.373 1.00 45.83 ? 101 ASP B N 1 ATOM 2462 C CA . ASP B 1 101 ? -4.834 44.779 25.587 1.00 45.76 ? 101 ASP B CA 1 ATOM 2463 C C . ASP B 1 101 ? -5.827 44.443 26.705 1.00 45.57 ? 101 ASP B C 1 ATOM 2464 O O . ASP B 1 101 ? -6.269 45.318 27.447 1.00 43.89 ? 101 ASP B O 1 ATOM 2465 C CB . ASP B 1 101 ? -4.822 46.278 25.279 1.00 52.37 ? 101 ASP B CB 1 ATOM 2466 C CG . ASP B 1 101 ? -4.181 47.098 26.375 1.00 54.09 ? 101 ASP B CG 1 ATOM 2467 O OD1 . ASP B 1 101 ? -4.807 48.101 26.781 1.00 59.46 ? 101 ASP B OD1 1 ATOM 2468 O OD2 . ASP B 1 101 ? -3.063 46.750 26.818 1.00 45.67 ? 101 ASP B OD2 1 ATOM 2469 N N . GLY B 1 102 ? -6.208 43.169 26.776 1.00 42.97 ? 102 GLY B N 1 ATOM 2470 C CA . GLY B 1 102 ? -7.130 42.705 27.801 1.00 45.19 ? 102 GLY B CA 1 ATOM 2471 C C . GLY B 1 102 ? -8.598 43.062 27.664 1.00 47.44 ? 102 GLY B C 1 ATOM 2472 O O . GLY B 1 102 ? -9.352 42.951 28.634 1.00 51.77 ? 102 GLY B O 1 ATOM 2473 N N . VAL B 1 103 ? -9.008 43.481 26.469 1.00 50.29 ? 103 VAL B N 1 ATOM 2474 C CA . VAL B 1 103 ? -10.400 43.843 26.200 1.00 46.23 ? 103 VAL B CA 1 ATOM 2475 C C . VAL B 1 103 ? -10.907 43.078 24.983 1.00 46.21 ? 103 VAL B C 1 ATOM 2476 O O . VAL B 1 103 ? -10.210 43.016 23.972 1.00 45.01 ? 103 VAL B O 1 ATOM 2477 C CB . VAL B 1 103 ? -10.542 45.357 25.892 1.00 45.72 ? 103 VAL B CB 1 ATOM 2478 C CG1 . VAL B 1 103 ? -11.976 45.698 25.494 1.00 42.20 ? 103 VAL B CG1 1 ATOM 2479 C CG2 . VAL B 1 103 ? -10.130 46.178 27.093 1.00 42.27 ? 103 VAL B CG2 1 ATOM 2480 N N . ASN B 1 104 ? -12.083 42.456 25.090 1.00 45.17 ? 104 ASN B N 1 ATOM 2481 C CA . ASN B 1 104 ? -12.649 41.754 23.944 1.00 45.10 ? 104 ASN B CA 1 ATOM 2482 C C . ASN B 1 104 ? -13.231 42.889 23.111 1.00 45.47 ? 104 ASN B C 1 ATOM 2483 O O . ASN B 1 104 ? -14.304 43.423 23.408 1.00 47.80 ? 104 ASN B O 1 ATOM 2484 C CB . ASN B 1 104 ? -13.738 40.763 24.347 1.00 53.26 ? 104 ASN B CB 1 ATOM 2485 C CG . ASN B 1 104 ? -14.158 39.875 23.192 1.00 57.88 ? 104 ASN B CG 1 ATOM 2486 O OD1 . ASN B 1 104 ? -13.491 39.843 22.158 1.00 49.08 ? 104 ASN B OD1 1 ATOM 2487 N ND2 . ASN B 1 104 ? -15.259 39.152 23.364 1.00 61.55 ? 104 ASN B ND2 1 ATOM 2488 N N . GLU B 1 105 ? -12.464 43.282 22.099 1.00 41.63 ? 105 GLU B N 1 ATOM 2489 C CA . GLU B 1 105 ? -12.804 44.391 21.226 1.00 36.97 ? 105 GLU B CA 1 ATOM 2490 C C . GLU B 1 105 ? -13.651 44.044 20.022 1.00 37.84 ? 105 GLU B C 1 ATOM 2491 O O . GLU B 1 105 ? -13.469 43.002 19.396 1.00 41.04 ? 105 GLU B O 1 ATOM 2492 C CB . GLU B 1 105 ? -11.512 45.053 20.763 1.00 33.39 ? 105 GLU B CB 1 ATOM 2493 C CG . GLU B 1 105 ? -11.705 46.373 20.062 1.00 40.73 ? 105 GLU B CG 1 ATOM 2494 C CD . GLU B 1 105 ? -10.391 46.988 19.603 1.00 43.41 ? 105 GLU B CD 1 ATOM 2495 O OE1 . GLU B 1 105 ? -10.410 47.769 18.625 1.00 40.03 ? 105 GLU B OE1 1 ATOM 2496 O OE2 . GLU B 1 105 ? -9.338 46.698 20.217 1.00 39.01 ? 105 GLU B OE2 1 ATOM 2497 N N . THR B 1 106 ? -14.581 44.936 19.703 1.00 38.23 ? 106 THR B N 1 ATOM 2498 C CA . THR B 1 106 ? -15.454 44.775 18.544 1.00 41.13 ? 106 THR B CA 1 ATOM 2499 C C . THR B 1 106 ? -14.777 45.561 17.425 1.00 40.85 ? 106 THR B C 1 ATOM 2500 O O . THR B 1 106 ? -14.715 46.790 17.466 1.00 36.22 ? 106 THR B O 1 ATOM 2501 C CB . THR B 1 106 ? -16.842 45.361 18.816 1.00 44.73 ? 106 THR B CB 1 ATOM 2502 O OG1 . THR B 1 106 ? -17.315 44.884 20.083 1.00 50.21 ? 106 THR B OG1 1 ATOM 2503 C CG2 . THR B 1 106 ? -17.817 44.944 17.729 1.00 46.51 ? 106 THR B CG2 1 ATOM 2504 N N . ILE B 1 107 ? -14.239 44.837 16.450 1.00 41.57 ? 107 ILE B N 1 ATOM 2505 C CA . ILE B 1 107 ? -13.512 45.441 15.342 1.00 40.81 ? 107 ILE B CA 1 ATOM 2506 C C . ILE B 1 107 ? -14.314 45.470 14.050 1.00 41.68 ? 107 ILE B C 1 ATOM 2507 O O . ILE B 1 107 ? -14.796 44.441 13.588 1.00 45.38 ? 107 ILE B O 1 ATOM 2508 C CB . ILE B 1 107 ? -12.192 44.692 15.110 1.00 38.63 ? 107 ILE B CB 1 ATOM 2509 C CG1 . ILE B 1 107 ? -11.427 44.573 16.437 1.00 31.68 ? 107 ILE B CG1 1 ATOM 2510 C CG2 . ILE B 1 107 ? -11.360 45.405 14.046 1.00 30.92 ? 107 ILE B CG2 1 ATOM 2511 C CD1 . ILE B 1 107 ? -10.309 43.566 16.418 1.00 28.38 ? 107 ILE B CD1 1 ATOM 2512 N N . LEU B 1 108 ? -14.422 46.653 13.454 1.00 40.82 ? 108 LEU B N 1 ATOM 2513 C CA . LEU B 1 108 ? -15.176 46.842 12.219 1.00 38.09 ? 108 LEU B CA 1 ATOM 2514 C C . LEU B 1 108 ? -14.290 46.801 10.983 1.00 34.60 ? 108 LEU B C 1 ATOM 2515 O O . LEU B 1 108 ? -13.096 46.519 11.063 1.00 31.55 ? 108 LEU B O 1 ATOM 2516 C CB . LEU B 1 108 ? -15.903 48.185 12.264 1.00 36.89 ? 108 LEU B CB 1 ATOM 2517 C CG . LEU B 1 108 ? -16.719 48.491 13.517 1.00 33.17 ? 108 LEU B CG 1 ATOM 2518 C CD1 . LEU B 1 108 ? -17.251 49.904 13.437 1.00 27.83 ? 108 LEU B CD1 1 ATOM 2519 C CD2 . LEU B 1 108 ? -17.855 47.492 13.644 1.00 34.65 ? 108 LEU B CD2 1 ATOM 2520 N N . THR B 1 109 ? -14.896 47.070 9.834 1.00 35.97 ? 109 THR B N 1 ATOM 2521 C CA . THR B 1 109 ? -14.168 47.084 8.578 1.00 37.02 ? 109 THR B CA 1 ATOM 2522 C C . THR B 1 109 ? -13.646 48.484 8.334 1.00 36.61 ? 109 THR B C 1 ATOM 2523 O O . THR B 1 109 ? -14.159 49.457 8.895 1.00 30.98 ? 109 THR B O 1 ATOM 2524 C CB . THR B 1 109 ? -15.068 46.722 7.396 1.00 38.28 ? 109 THR B CB 1 ATOM 2525 O OG1 . THR B 1 109 ? -16.128 47.680 7.291 1.00 37.69 ? 109 THR B OG1 1 ATOM 2526 C CG2 . THR B 1 109 ? -15.646 45.338 7.576 1.00 33.29 ? 109 THR B CG2 1 ATOM 2527 N N . PHE B 1 110 ? -12.655 48.580 7.456 1.00 32.62 ? 110 PHE B N 1 ATOM 2528 C CA . PHE B 1 110 ? -12.061 49.856 7.119 1.00 29.18 ? 110 PHE B CA 1 ATOM 2529 C C . PHE B 1 110 ? -13.125 50.873 6.682 1.00 32.62 ? 110 PHE B C 1 ATOM 2530 O O . PHE B 1 110 ? -13.233 51.938 7.281 1.00 37.54 ? 110 PHE B O 1 ATOM 2531 C CB . PHE B 1 110 ? -10.983 49.661 6.052 1.00 31.33 ? 110 PHE B CB 1 ATOM 2532 C CG . PHE B 1 110 ? -10.309 50.931 5.635 1.00 32.63 ? 110 PHE B CG 1 ATOM 2533 C CD1 . PHE B 1 110 ? -9.285 51.473 6.398 1.00 31.43 ? 110 PHE B CD1 1 ATOM 2534 C CD2 . PHE B 1 110 ? -10.697 51.588 4.481 1.00 30.64 ? 110 PHE B CD2 1 ATOM 2535 C CE1 . PHE B 1 110 ? -8.658 52.654 6.013 1.00 31.54 ? 110 PHE B CE1 1 ATOM 2536 C CE2 . PHE B 1 110 ? -10.078 52.766 4.089 1.00 31.40 ? 110 PHE B CE2 1 ATOM 2537 C CZ . PHE B 1 110 ? -9.055 53.300 4.857 1.00 30.35 ? 110 PHE B CZ 1 ATOM 2538 N N . PRO B 1 111 ? -13.968 50.540 5.682 1.00 32.93 ? 111 PRO B N 1 ATOM 2539 C CA . PRO B 1 111 ? -14.985 51.504 5.259 1.00 33.22 ? 111 PRO B CA 1 ATOM 2540 C C . PRO B 1 111 ? -15.928 51.908 6.385 1.00 36.71 ? 111 PRO B C 1 ATOM 2541 O O . PRO B 1 111 ? -16.303 53.080 6.490 1.00 38.28 ? 111 PRO B O 1 ATOM 2542 C CB . PRO B 1 111 ? -15.732 50.748 4.166 1.00 29.13 ? 111 PRO B CB 1 ATOM 2543 C CG . PRO B 1 111 ? -14.676 49.908 3.579 1.00 31.03 ? 111 PRO B CG 1 ATOM 2544 C CD . PRO B 1 111 ? -14.009 49.357 4.808 1.00 35.88 ? 111 PRO B CD 1 ATOM 2545 N N . ALA B 1 112 ? -16.290 50.945 7.235 1.00 38.32 ? 112 ALA B N 1 ATOM 2546 C CA . ALA B 1 112 ? -17.195 51.204 8.353 1.00 34.40 ? 112 ALA B CA 1 ATOM 2547 C C . ALA B 1 112 ? -16.623 52.267 9.286 1.00 36.65 ? 112 ALA B C 1 ATOM 2548 O O . ALA B 1 112 ? -17.328 53.190 9.686 1.00 38.96 ? 112 ALA B O 1 ATOM 2549 C CB . ALA B 1 112 ? -17.477 49.924 9.116 1.00 34.37 ? 112 ALA B CB 1 ATOM 2550 N N . TYR B 1 113 ? -15.342 52.152 9.615 1.00 31.59 ? 113 TYR B N 1 ATOM 2551 C CA . TYR B 1 113 ? -14.703 53.129 10.488 1.00 30.85 ? 113 TYR B CA 1 ATOM 2552 C C . TYR B 1 113 ? -14.745 54.534 9.899 1.00 34.08 ? 113 TYR B C 1 ATOM 2553 O O . TYR B 1 113 ? -15.091 55.501 10.593 1.00 37.32 ? 113 TYR B O 1 ATOM 2554 C CB . TYR B 1 113 ? -13.258 52.728 10.772 1.00 31.94 ? 113 TYR B CB 1 ATOM 2555 C CG . TYR B 1 113 ? -13.114 51.674 11.847 1.00 32.61 ? 113 TYR B CG 1 ATOM 2556 C CD1 . TYR B 1 113 ? -12.422 50.493 11.605 1.00 30.43 ? 113 TYR B CD1 1 ATOM 2557 C CD2 . TYR B 1 113 ? -13.660 51.872 13.114 1.00 31.24 ? 113 TYR B CD2 1 ATOM 2558 C CE1 . TYR B 1 113 ? -12.272 49.533 12.598 1.00 35.95 ? 113 TYR B CE1 1 ATOM 2559 C CE2 . TYR B 1 113 ? -13.520 50.926 14.113 1.00 32.17 ? 113 TYR B CE2 1 ATOM 2560 C CZ . TYR B 1 113 ? -12.826 49.757 13.852 1.00 38.83 ? 113 TYR B CZ 1 ATOM 2561 O OH . TYR B 1 113 ? -12.687 48.810 14.844 1.00 39.66 ? 113 TYR B OH 1 ATOM 2562 N N . LEU B 1 114 ? -14.417 54.642 8.615 1.00 34.67 ? 114 LEU B N 1 ATOM 2563 C CA . LEU B 1 114 ? -14.422 55.929 7.930 1.00 33.90 ? 114 LEU B CA 1 ATOM 2564 C C . LEU B 1 114 ? -15.830 56.488 7.774 1.00 38.42 ? 114 LEU B C 1 ATOM 2565 O O . LEU B 1 114 ? -16.031 57.699 7.846 1.00 39.40 ? 114 LEU B O 1 ATOM 2566 C CB . LEU B 1 114 ? -13.785 55.803 6.553 1.00 32.99 ? 114 LEU B CB 1 ATOM 2567 C CG . LEU B 1 114 ? -12.325 55.377 6.510 1.00 32.35 ? 114 LEU B CG 1 ATOM 2568 C CD1 . LEU B 1 114 ? -11.835 55.462 5.082 1.00 29.38 ? 114 LEU B CD1 1 ATOM 2569 C CD2 . LEU B 1 114 ? -11.508 56.275 7.400 1.00 28.05 ? 114 LEU B CD2 1 ATOM 2570 N N . GLU B 1 115 ? -16.798 55.610 7.535 1.00 41.72 ? 115 GLU B N 1 ATOM 2571 C CA . GLU B 1 115 ? -18.186 56.032 7.369 1.00 44.03 ? 115 GLU B CA 1 ATOM 2572 C C . GLU B 1 115 ? -18.764 56.603 8.658 1.00 44.17 ? 115 GLU B C 1 ATOM 2573 O O . GLU B 1 115 ? -19.432 57.640 8.639 1.00 47.28 ? 115 GLU B O 1 ATOM 2574 C CB . GLU B 1 115 ? -19.031 54.872 6.849 1.00 41.42 ? 115 GLU B CB 1 ATOM 2575 C CG . GLU B 1 115 ? -18.664 54.481 5.422 1.00 45.24 ? 115 GLU B CG 1 ATOM 2576 C CD . GLU B 1 115 ? -19.118 53.084 5.035 1.00 48.17 ? 115 GLU B CD 1 ATOM 2577 O OE1 . GLU B 1 115 ? -19.944 52.495 5.762 1.00 48.24 ? 115 GLU B OE1 1 ATOM 2578 O OE2 . GLU B 1 115 ? -18.643 52.570 3.998 1.00 45.31 ? 115 GLU B OE2 1 ATOM 2579 N N . ASN B 1 116 ? -18.467 55.951 9.779 1.00 44.71 ? 116 ASN B N 1 ATOM 2580 C CA . ASN B 1 116 ? -18.944 56.404 11.084 1.00 44.31 ? 116 ASN B CA 1 ATOM 2581 C C . ASN B 1 116 ? -18.358 57.773 11.413 1.00 40.02 ? 116 ASN B C 1 ATOM 2582 O O . ASN B 1 116 ? -19.062 58.669 11.866 1.00 41.67 ? 116 ASN B O 1 ATOM 2583 C CB . ASN B 1 116 ? -18.572 55.393 12.175 1.00 44.98 ? 116 ASN B CB 1 ATOM 2584 C CG . ASN B 1 116 ? -19.380 54.116 12.087 1.00 46.41 ? 116 ASN B CG 1 ATOM 2585 O OD1 . ASN B 1 116 ? -20.401 54.051 11.394 1.00 48.60 ? 116 ASN B OD1 1 ATOM 2586 N ND2 . ASN B 1 116 ? -18.935 53.091 12.800 1.00 45.32 ? 116 ASN B ND2 1 ATOM 2587 N N . ALA B 1 117 ? -17.062 57.925 11.181 1.00 33.22 ? 117 ALA B N 1 ATOM 2588 C CA . ALA B 1 117 ? -16.396 59.191 11.431 1.00 35.87 ? 117 ALA B CA 1 ATOM 2589 C C . ALA B 1 117 ? -17.008 60.282 10.553 1.00 35.65 ? 117 ALA B C 1 ATOM 2590 O O . ALA B 1 117 ? -17.341 61.359 11.029 1.00 40.54 ? 117 ALA B O 1 ATOM 2591 C CB . ALA B 1 117 ? -14.917 59.059 11.147 1.00 30.43 ? 117 ALA B CB 1 ATOM 2592 N N . ALA B 1 118 ? -17.183 59.984 9.273 1.00 38.59 ? 118 ALA B N 1 ATOM 2593 C CA . ALA B 1 118 ? -17.751 60.950 8.341 1.00 43.98 ? 118 ALA B CA 1 ATOM 2594 C C . ALA B 1 118 ? -19.112 61.446 8.801 1.00 47.04 ? 118 ALA B C 1 ATOM 2595 O O . ALA B 1 118 ? -19.354 62.649 8.808 1.00 50.35 ? 118 ALA B O 1 ATOM 2596 C CB . ALA B 1 118 ? -17.850 60.349 6.942 1.00 39.64 ? 118 ALA B CB 1 ATOM 2597 N N . LYS B 1 119 ? -19.988 60.523 9.204 1.00 52.03 ? 119 LYS B N 1 ATOM 2598 C CA . LYS B 1 119 ? -21.336 60.882 9.663 1.00 54.35 ? 119 LYS B CA 1 ATOM 2599 C C . LYS B 1 119 ? -21.284 61.776 10.891 1.00 50.46 ? 119 LYS B C 1 ATOM 2600 O O . LYS B 1 119 ? -22.038 62.740 11.015 1.00 48.60 ? 119 LYS B O 1 ATOM 2601 C CB . LYS B 1 119 ? -22.153 59.629 9.977 1.00 59.05 ? 119 LYS B CB 1 ATOM 2602 C CG . LYS B 1 119 ? -22.638 58.875 8.750 1.00 67.50 ? 119 LYS B CG 1 ATOM 2603 C CD . LYS B 1 119 ? -23.564 57.736 9.152 1.00 72.94 ? 119 LYS B CD 1 ATOM 2604 C CE . LYS B 1 119 ? -24.076 56.993 7.933 1.00 75.15 ? 119 LYS B CE 1 ATOM 2605 N NZ . LYS B 1 119 ? -24.985 55.884 8.326 1.00 78.63 ? 119 LYS B NZ 1 ATOM 2606 N N . LEU B 1 120 ? -20.355 61.444 11.777 1.00 49.35 ? 120 LEU B N 1 ATOM 2607 C CA . LEU B 1 120 ? -20.115 62.164 13.017 1.00 46.36 ? 120 LEU B CA 1 ATOM 2608 C C . LEU B 1 120 ? -19.773 63.625 12.729 1.00 48.48 ? 120 LEU B C 1 ATOM 2609 O O . LEU B 1 120 ? -20.331 64.528 13.344 1.00 53.83 ? 120 LEU B O 1 ATOM 2610 C CB . LEU B 1 120 ? -18.940 61.510 13.736 1.00 46.99 ? 120 LEU B CB 1 ATOM 2611 C CG . LEU B 1 120 ? -18.875 61.427 15.255 1.00 50.82 ? 120 LEU B CG 1 ATOM 2612 C CD1 . LEU B 1 120 ? -17.481 60.962 15.642 1.00 50.81 ? 120 LEU B CD1 1 ATOM 2613 C CD2 . LEU B 1 120 ? -19.168 62.769 15.874 1.00 54.99 ? 120 LEU B CD2 1 ATOM 2614 N N . PHE B 1 121 ? -18.851 63.852 11.797 1.00 49.55 ? 121 PHE B N 1 ATOM 2615 C CA . PHE B 1 121 ? -18.422 65.205 11.439 1.00 48.44 ? 121 PHE B CA 1 ATOM 2616 C C . PHE B 1 121 ? -19.478 65.952 10.638 1.00 48.44 ? 121 PHE B C 1 ATOM 2617 O O . PHE B 1 121 ? -19.627 67.165 10.772 1.00 46.69 ? 121 PHE B O 1 ATOM 2618 C CB . PHE B 1 121 ? -17.119 65.162 10.638 1.00 48.25 ? 121 PHE B CB 1 ATOM 2619 C CG . PHE B 1 121 ? -15.969 64.545 11.376 1.00 46.55 ? 121 PHE B CG 1 ATOM 2620 C CD1 . PHE B 1 121 ? -15.116 63.654 10.735 1.00 45.64 ? 121 PHE B CD1 1 ATOM 2621 C CD2 . PHE B 1 121 ? -15.727 64.863 12.709 1.00 50.81 ? 121 PHE B CD2 1 ATOM 2622 C CE1 . PHE B 1 121 ? -14.034 63.087 11.412 1.00 47.85 ? 121 PHE B CE1 1 ATOM 2623 C CE2 . PHE B 1 121 ? -14.649 64.302 13.397 1.00 51.54 ? 121 PHE B CE2 1 ATOM 2624 C CZ . PHE B 1 121 ? -13.800 63.412 12.745 1.00 47.53 ? 121 PHE B CZ 1 ATOM 2625 N N . THR B 1 122 ? -20.178 65.224 9.774 1.00 50.19 ? 122 THR B N 1 ATOM 2626 C CA . THR B 1 122 ? -21.223 65.805 8.949 1.00 51.92 ? 122 THR B CA 1 ATOM 2627 C C . THR B 1 122 ? -22.361 66.287 9.847 1.00 56.67 ? 122 THR B C 1 ATOM 2628 O O . THR B 1 122 ? -22.993 67.302 9.562 1.00 59.92 ? 122 THR B O 1 ATOM 2629 C CB . THR B 1 122 ? -21.726 64.789 7.904 1.00 49.58 ? 122 THR B CB 1 ATOM 2630 O OG1 . THR B 1 122 ? -20.640 64.434 7.044 1.00 47.92 ? 122 THR B OG1 1 ATOM 2631 C CG2 . THR B 1 122 ? -22.823 65.379 7.055 1.00 48.10 ? 122 THR B CG2 1 ATOM 2632 N N . ALA B 1 123 ? -22.575 65.590 10.961 1.00 57.78 ? 123 ALA B N 1 ATOM 2633 C CA . ALA B 1 123 ? -23.614 65.952 11.923 1.00 55.34 ? 123 ALA B CA 1 ATOM 2634 C C . ALA B 1 123 ? -23.285 67.284 12.587 1.00 58.73 ? 123 ALA B C 1 ATOM 2635 O O . ALA B 1 123 ? -24.184 68.038 12.962 1.00 61.32 ? 123 ALA B O 1 ATOM 2636 C CB . ALA B 1 123 ? -23.748 64.874 12.978 1.00 54.13 ? 123 ALA B CB 1 ATOM 2637 N N . LYS B 1 124 ? -21.997 67.571 12.736 1.00 60.08 ? 124 LYS B N 1 ATOM 2638 C CA . LYS B 1 124 ? -21.579 68.821 13.361 1.00 62.38 ? 124 LYS B CA 1 ATOM 2639 C C . LYS B 1 124 ? -21.328 69.959 12.369 1.00 61.75 ? 124 LYS B C 1 ATOM 2640 O O . LYS B 1 124 ? -20.630 70.926 12.681 1.00 64.16 ? 124 LYS B O 1 ATOM 2641 C CB . LYS B 1 124 ? -20.383 68.585 14.285 1.00 67.86 ? 124 LYS B CB 1 ATOM 2642 C CG . LYS B 1 124 ? -20.683 67.549 15.369 1.00 76.29 ? 124 LYS B CG 1 ATOM 2643 C CD . LYS B 1 124 ? -19.860 67.761 16.628 1.00 84.79 ? 124 LYS B CD 1 ATOM 2644 C CE . LYS B 1 124 ? -20.256 69.043 17.360 1.00 89.44 ? 124 LYS B CE 1 ATOM 2645 N NZ . LYS B 1 124 ? -19.425 69.274 18.579 1.00 91.97 ? 124 LYS B NZ 1 ATOM 2646 N N . GLY B 1 125 ? -21.916 69.828 11.178 1.00 62.26 ? 125 GLY B N 1 ATOM 2647 C CA . GLY B 1 125 ? -21.803 70.847 10.144 1.00 63.11 ? 125 GLY B CA 1 ATOM 2648 C C . GLY B 1 125 ? -20.493 70.985 9.379 1.00 64.51 ? 125 GLY B C 1 ATOM 2649 O O . GLY B 1 125 ? -20.317 71.955 8.626 1.00 63.81 ? 125 GLY B O 1 ATOM 2650 N N . ALA B 1 126 ? -19.593 70.010 9.524 1.00 61.00 ? 126 ALA B N 1 ATOM 2651 C CA . ALA B 1 126 ? -18.300 70.035 8.838 1.00 57.06 ? 126 ALA B CA 1 ATOM 2652 C C . ALA B 1 126 ? -18.317 69.390 7.450 1.00 58.23 ? 126 ALA B C 1 ATOM 2653 O O . ALA B 1 126 ? -19.126 68.504 7.169 1.00 61.01 ? 126 ALA B O 1 ATOM 2654 C CB . ALA B 1 126 ? -17.251 69.378 9.699 1.00 53.62 ? 126 ALA B CB 1 ATOM 2655 N N . LYS B 1 127 ? -17.421 69.851 6.582 1.00 57.59 ? 127 LYS B N 1 ATOM 2656 C CA . LYS B 1 127 ? -17.311 69.325 5.222 1.00 58.67 ? 127 LYS B CA 1 ATOM 2657 C C . LYS B 1 127 ? -16.199 68.274 5.214 1.00 55.71 ? 127 LYS B C 1 ATOM 2658 O O . LYS B 1 127 ? -15.011 68.595 5.294 1.00 56.52 ? 127 LYS B O 1 ATOM 2659 C CB . LYS B 1 127 ? -17.028 70.464 4.234 1.00 61.91 ? 127 LYS B CB 1 ATOM 2660 C CG . LYS B 1 127 ? -17.827 71.734 4.554 1.00 71.96 ? 127 LYS B CG 1 ATOM 2661 C CD . LYS B 1 127 ? -17.975 72.658 3.364 1.00 77.45 ? 127 LYS B CD 1 ATOM 2662 C CE . LYS B 1 127 ? -18.842 72.009 2.296 1.00 86.34 ? 127 LYS B CE 1 ATOM 2663 N NZ . LYS B 1 127 ? -19.132 72.933 1.160 1.00 91.74 ? 127 LYS B NZ 1 ATOM 2664 N N . VAL B 1 128 ? -16.613 67.011 5.177 1.00 50.08 ? 128 VAL B N 1 ATOM 2665 C CA . VAL B 1 128 ? -15.695 65.875 5.203 1.00 44.55 ? 128 VAL B CA 1 ATOM 2666 C C . VAL B 1 128 ? -15.115 65.467 3.854 1.00 43.86 ? 128 VAL B C 1 ATOM 2667 O O . VAL B 1 128 ? -15.831 65.356 2.851 1.00 40.58 ? 128 VAL B O 1 ATOM 2668 C CB . VAL B 1 128 ? -16.359 64.633 5.858 1.00 44.37 ? 128 VAL B CB 1 ATOM 2669 C CG1 . VAL B 1 128 ? -15.370 63.483 5.961 1.00 39.68 ? 128 VAL B CG1 1 ATOM 2670 C CG2 . VAL B 1 128 ? -16.892 64.989 7.238 1.00 41.53 ? 128 VAL B CG2 1 ATOM 2671 N N . ILE B 1 129 ? -13.806 65.220 3.864 1.00 41.23 ? 129 ILE B N 1 ATOM 2672 C CA . ILE B 1 129 ? -13.061 64.798 2.686 1.00 37.30 ? 129 ILE B CA 1 ATOM 2673 C C . ILE B 1 129 ? -12.231 63.558 3.020 1.00 38.77 ? 129 ILE B C 1 ATOM 2674 O O . ILE B 1 129 ? -11.284 63.629 3.804 1.00 38.23 ? 129 ILE B O 1 ATOM 2675 C CB . ILE B 1 129 ? -12.095 65.896 2.212 1.00 35.26 ? 129 ILE B CB 1 ATOM 2676 C CG1 . ILE B 1 129 ? -12.861 67.188 1.937 1.00 32.50 ? 129 ILE B CG1 1 ATOM 2677 C CG2 . ILE B 1 129 ? -11.347 65.438 0.970 1.00 28.27 ? 129 ILE B CG2 1 ATOM 2678 C CD1 . ILE B 1 129 ? -11.965 68.348 1.613 1.00 34.80 ? 129 ILE B CD1 1 ATOM 2679 N N . LEU B 1 130 ? -12.630 62.415 2.472 1.00 38.47 ? 130 LEU B N 1 ATOM 2680 C CA . LEU B 1 130 ? -11.903 61.167 2.682 1.00 40.40 ? 130 LEU B CA 1 ATOM 2681 C C . LEU B 1 130 ? -10.888 61.089 1.547 1.00 40.36 ? 130 LEU B C 1 ATOM 2682 O O . LEU B 1 130 ? -11.215 61.353 0.390 1.00 46.09 ? 130 LEU B O 1 ATOM 2683 C CB . LEU B 1 130 ? -12.848 59.966 2.643 1.00 37.57 ? 130 LEU B CB 1 ATOM 2684 C CG . LEU B 1 130 ? -13.992 59.973 3.653 1.00 37.71 ? 130 LEU B CG 1 ATOM 2685 C CD1 . LEU B 1 130 ? -14.736 58.663 3.604 1.00 43.69 ? 130 LEU B CD1 1 ATOM 2686 C CD2 . LEU B 1 130 ? -13.444 60.189 5.033 1.00 41.44 ? 130 LEU B CD2 1 ATOM 2687 N N . SER B 1 131 ? -9.661 60.717 1.875 1.00 35.91 ? 131 SER B N 1 ATOM 2688 C CA . SER B 1 131 ? -8.595 60.663 0.892 1.00 31.92 ? 131 SER B CA 1 ATOM 2689 C C . SER B 1 131 ? -7.902 59.309 0.900 1.00 34.74 ? 131 SER B C 1 ATOM 2690 O O . SER B 1 131 ? -7.709 58.705 1.957 1.00 41.26 ? 131 SER B O 1 ATOM 2691 C CB . SER B 1 131 ? -7.590 61.779 1.201 1.00 30.05 ? 131 SER B CB 1 ATOM 2692 O OG . SER B 1 131 ? -6.476 61.735 0.344 1.00 34.90 ? 131 SER B OG 1 ATOM 2693 N N . SER B 1 132 ? -7.561 58.817 -0.287 1.00 35.96 ? 132 SER B N 1 ATOM 2694 C CA . SER B 1 132 ? -6.879 57.538 -0.417 1.00 36.04 ? 132 SER B CA 1 ATOM 2695 C C . SER B 1 132 ? -5.438 57.684 0.099 1.00 37.23 ? 132 SER B C 1 ATOM 2696 O O . SER B 1 132 ? -4.845 58.764 0.029 1.00 38.14 ? 132 SER B O 1 ATOM 2697 C CB . SER B 1 132 ? -6.904 57.059 -1.874 1.00 37.77 ? 132 SER B CB 1 ATOM 2698 O OG . SER B 1 132 ? -6.406 58.043 -2.768 1.00 50.86 ? 132 SER B OG 1 ATOM 2699 N N . GLN B 1 133 ? -4.903 56.604 0.660 1.00 34.47 ? 133 GLN B N 1 ATOM 2700 C CA . GLN B 1 133 ? -3.551 56.608 1.207 1.00 33.32 ? 133 GLN B CA 1 ATOM 2701 C C . GLN B 1 133 ? -2.490 56.937 0.171 1.00 35.21 ? 133 GLN B C 1 ATOM 2702 O O . GLN B 1 133 ? -2.694 56.761 -1.025 1.00 36.04 ? 133 GLN B O 1 ATOM 2703 C CB . GLN B 1 133 ? -3.221 55.251 1.823 1.00 30.61 ? 133 GLN B CB 1 ATOM 2704 C CG . GLN B 1 133 ? -3.243 54.105 0.837 1.00 29.55 ? 133 GLN B CG 1 ATOM 2705 C CD . GLN B 1 133 ? -2.480 52.893 1.332 1.00 34.84 ? 133 GLN B CD 1 ATOM 2706 O OE1 . GLN B 1 133 ? -1.242 52.852 1.281 1.00 34.29 ? 133 GLN B OE1 1 ATOM 2707 N NE2 . GLN B 1 133 ? -3.208 51.886 1.797 1.00 36.03 ? 133 GLN B NE2 1 ATOM 2708 N N . THR B 1 134 ? -1.351 57.417 0.644 1.00 34.23 ? 134 THR B N 1 ATOM 2709 C CA . THR B 1 134 ? -0.247 57.743 -0.238 1.00 35.85 ? 134 THR B CA 1 ATOM 2710 C C . THR B 1 134 ? 0.465 56.436 -0.578 1.00 37.30 ? 134 THR B C 1 ATOM 2711 O O . THR B 1 134 ? 0.383 55.462 0.170 1.00 37.11 ? 134 THR B O 1 ATOM 2712 C CB . THR B 1 134 ? 0.749 58.697 0.440 1.00 39.81 ? 134 THR B CB 1 ATOM 2713 O OG1 . THR B 1 134 ? 1.329 58.051 1.578 1.00 39.79 ? 134 THR B OG1 1 ATOM 2714 C CG2 . THR B 1 134 ? 0.046 59.974 0.885 1.00 39.90 ? 134 THR B CG2 1 ATOM 2715 N N . PRO B 1 135 ? 1.151 56.386 -1.728 1.00 37.69 ? 135 PRO B N 1 ATOM 2716 C CA . PRO B 1 135 ? 1.851 55.160 -2.109 1.00 36.73 ? 135 PRO B CA 1 ATOM 2717 C C . PRO B 1 135 ? 3.229 55.002 -1.494 1.00 38.69 ? 135 PRO B C 1 ATOM 2718 O O . PRO B 1 135 ? 3.877 55.991 -1.138 1.00 39.90 ? 135 PRO B O 1 ATOM 2719 C CB . PRO B 1 135 ? 1.953 55.303 -3.624 1.00 28.46 ? 135 PRO B CB 1 ATOM 2720 C CG . PRO B 1 135 ? 2.138 56.765 -3.797 1.00 28.15 ? 135 PRO B CG 1 ATOM 2721 C CD . PRO B 1 135 ? 1.127 57.345 -2.850 1.00 34.65 ? 135 PRO B CD 1 ATOM 2722 N N . ASN B 1 136 ? 3.650 53.753 -1.318 1.00 36.67 ? 136 ASN B N 1 ATOM 2723 C CA . ASN B 1 136 ? 4.988 53.477 -0.814 1.00 36.18 ? 136 ASN B CA 1 ATOM 2724 C C . ASN B 1 136 ? 5.870 53.662 -2.049 1.00 41.03 ? 136 ASN B C 1 ATOM 2725 O O . ASN B 1 136 ? 5.375 53.589 -3.178 1.00 43.00 ? 136 ASN B O 1 ATOM 2726 C CB . ASN B 1 136 ? 5.099 52.036 -0.304 1.00 37.99 ? 136 ASN B CB 1 ATOM 2727 C CG . ASN B 1 136 ? 4.635 51.880 1.137 1.00 42.11 ? 136 ASN B CG 1 ATOM 2728 O OD1 . ASN B 1 136 ? 4.664 52.830 1.923 1.00 40.18 ? 136 ASN B OD1 1 ATOM 2729 N ND2 . ASN B 1 136 ? 4.226 50.670 1.496 1.00 38.20 ? 136 ASN B ND2 1 ATOM 2730 N N . ASN B 1 137 ? 7.155 53.921 -1.839 1.00 40.84 ? 137 ASN B N 1 ATOM 2731 C CA . ASN B 1 137 ? 8.110 54.123 -2.925 1.00 42.67 ? 137 ASN B CA 1 ATOM 2732 C C . ASN B 1 137 ? 7.912 53.167 -4.117 1.00 43.94 ? 137 ASN B C 1 ATOM 2733 O O . ASN B 1 137 ? 8.277 51.987 -4.053 1.00 45.36 ? 137 ASN B O 1 ATOM 2734 C CB . ASN B 1 137 ? 9.530 53.985 -2.369 1.00 41.29 ? 137 ASN B CB 1 ATOM 2735 C CG . ASN B 1 137 ? 10.597 54.338 -3.381 1.00 41.37 ? 137 ASN B CG 1 ATOM 2736 O OD1 . ASN B 1 137 ? 11.778 54.090 -3.152 1.00 47.77 ? 137 ASN B OD1 1 ATOM 2737 N ND2 . ASN B 1 137 ? 10.193 54.926 -4.501 1.00 40.46 ? 137 ASN B ND2 1 ATOM 2738 N N . PRO B 1 138 ? 7.335 53.675 -5.226 1.00 40.94 ? 138 PRO B N 1 ATOM 2739 C CA . PRO B 1 138 ? 7.094 52.861 -6.422 1.00 37.88 ? 138 PRO B CA 1 ATOM 2740 C C . PRO B 1 138 ? 8.342 52.544 -7.249 1.00 40.17 ? 138 PRO B C 1 ATOM 2741 O O . PRO B 1 138 ? 8.337 51.604 -8.037 1.00 42.78 ? 138 PRO B O 1 ATOM 2742 C CB . PRO B 1 138 ? 6.081 53.695 -7.196 1.00 34.45 ? 138 PRO B CB 1 ATOM 2743 C CG . PRO B 1 138 ? 6.485 55.085 -6.867 1.00 34.56 ? 138 PRO B CG 1 ATOM 2744 C CD . PRO B 1 138 ? 6.762 55.027 -5.388 1.00 38.42 ? 138 PRO B CD 1 ATOM 2745 N N . TRP B 1 139 ? 9.418 53.303 -7.047 1.00 44.18 ? 139 TRP B N 1 ATOM 2746 C CA . TRP B 1 139 ? 10.676 53.088 -7.776 1.00 44.82 ? 139 TRP B CA 1 ATOM 2747 C C . TRP B 1 139 ? 11.656 52.260 -6.963 1.00 46.19 ? 139 TRP B C 1 ATOM 2748 O O . TRP B 1 139 ? 12.838 52.179 -7.291 1.00 49.17 ? 139 TRP B O 1 ATOM 2749 C CB . TRP B 1 139 ? 11.336 54.428 -8.113 1.00 45.64 ? 139 TRP B CB 1 ATOM 2750 C CG . TRP B 1 139 ? 10.645 55.190 -9.181 1.00 47.19 ? 139 TRP B CG 1 ATOM 2751 C CD1 . TRP B 1 139 ? 9.695 56.149 -9.016 1.00 47.10 ? 139 TRP B CD1 1 ATOM 2752 C CD2 . TRP B 1 139 ? 10.845 55.056 -10.594 1.00 51.63 ? 139 TRP B CD2 1 ATOM 2753 N NE1 . TRP B 1 139 ? 9.286 56.625 -10.239 1.00 50.04 ? 139 TRP B NE1 1 ATOM 2754 C CE2 . TRP B 1 139 ? 9.978 55.971 -11.226 1.00 49.43 ? 139 TRP B CE2 1 ATOM 2755 C CE3 . TRP B 1 139 ? 11.674 54.248 -11.389 1.00 54.99 ? 139 TRP B CE3 1 ATOM 2756 C CZ2 . TRP B 1 139 ? 9.914 56.108 -12.618 1.00 49.84 ? 139 TRP B CZ2 1 ATOM 2757 C CZ3 . TRP B 1 139 ? 11.611 54.382 -12.778 1.00 51.12 ? 139 TRP B CZ3 1 ATOM 2758 C CH2 . TRP B 1 139 ? 10.735 55.307 -13.375 1.00 53.10 ? 139 TRP B CH2 1 ATOM 2759 N N . GLU B 1 140 ? 11.157 51.660 -5.892 1.00 51.79 ? 140 GLU B N 1 ATOM 2760 C CA . GLU B 1 140 ? 11.973 50.863 -4.992 1.00 51.77 ? 140 GLU B CA 1 ATOM 2761 C C . GLU B 1 140 ? 12.748 49.773 -5.700 1.00 52.13 ? 140 GLU B C 1 ATOM 2762 O O . GLU B 1 140 ? 13.903 49.525 -5.377 1.00 50.27 ? 140 GLU B O 1 ATOM 2763 C CB . GLU B 1 140 ? 11.088 50.246 -3.922 1.00 56.41 ? 140 GLU B CB 1 ATOM 2764 C CG . GLU B 1 140 ? 11.839 49.461 -2.875 1.00 58.95 ? 140 GLU B CG 1 ATOM 2765 C CD . GLU B 1 140 ? 10.941 49.007 -1.747 1.00 62.34 ? 140 GLU B CD 1 ATOM 2766 O OE1 . GLU B 1 140 ? 9.702 48.964 -1.941 1.00 60.26 ? 140 GLU B OE1 1 ATOM 2767 O OE2 . GLU B 1 140 ? 11.478 48.709 -0.658 1.00 63.87 ? 140 GLU B OE2 1 ATOM 2768 N N . THR B 1 141 ? 12.104 49.133 -6.669 1.00 53.61 ? 141 THR B N 1 ATOM 2769 C CA . THR B 1 141 ? 12.732 48.057 -7.423 1.00 53.95 ? 141 THR B CA 1 ATOM 2770 C C . THR B 1 141 ? 13.507 48.554 -8.644 1.00 57.67 ? 141 THR B C 1 ATOM 2771 O O . THR B 1 141 ? 13.851 47.769 -9.521 1.00 59.64 ? 141 THR B O 1 ATOM 2772 C CB . THR B 1 141 ? 11.692 47.019 -7.893 1.00 51.33 ? 141 THR B CB 1 ATOM 2773 O OG1 . THR B 1 141 ? 10.751 47.647 -8.768 1.00 51.53 ? 141 THR B OG1 1 ATOM 2774 C CG2 . THR B 1 141 ? 10.949 46.442 -6.715 1.00 44.07 ? 141 THR B CG2 1 ATOM 2775 N N . GLY B 1 142 ? 13.794 49.849 -8.706 1.00 61.86 ? 142 GLY B N 1 ATOM 2776 C CA . GLY B 1 142 ? 14.526 50.369 -9.850 1.00 63.53 ? 142 GLY B CA 1 ATOM 2777 C C . GLY B 1 142 ? 13.626 50.592 -11.054 1.00 64.01 ? 142 GLY B C 1 ATOM 2778 O O . GLY B 1 142 ? 14.002 51.277 -12.008 1.00 67.76 ? 142 GLY B O 1 ATOM 2779 N N . THR B 1 143 ? 12.450 49.971 -11.027 1.00 61.09 ? 143 THR B N 1 ATOM 2780 C CA . THR B 1 143 ? 11.468 50.124 -12.095 1.00 59.08 ? 143 THR B CA 1 ATOM 2781 C C . THR B 1 143 ? 10.153 50.599 -11.452 1.00 53.74 ? 143 THR B C 1 ATOM 2782 O O . THR B 1 143 ? 9.850 50.249 -10.306 1.00 57.57 ? 143 THR B O 1 ATOM 2783 C CB . THR B 1 143 ? 11.286 48.802 -12.912 1.00 62.15 ? 143 THR B CB 1 ATOM 2784 O OG1 . THR B 1 143 ? 10.424 49.042 -14.027 1.00 63.24 ? 143 THR B OG1 1 ATOM 2785 C CG2 . THR B 1 143 ? 10.687 47.693 -12.063 1.00 63.05 ? 143 THR B CG2 1 ATOM 2786 N N . PHE B 1 144 ? 9.406 51.439 -12.164 1.00 47.49 ? 144 PHE B N 1 ATOM 2787 C CA . PHE B 1 144 ? 8.152 51.977 -11.640 1.00 40.07 ? 144 PHE B CA 1 ATOM 2788 C C . PHE B 1 144 ? 7.031 50.964 -11.616 1.00 43.27 ? 144 PHE B C 1 ATOM 2789 O O . PHE B 1 144 ? 6.620 50.471 -12.659 1.00 48.63 ? 144 PHE B O 1 ATOM 2790 C CB . PHE B 1 144 ? 7.694 53.191 -12.446 1.00 32.37 ? 144 PHE B CB 1 ATOM 2791 C CG . PHE B 1 144 ? 6.437 53.823 -11.920 1.00 30.33 ? 144 PHE B CG 1 ATOM 2792 C CD1 . PHE B 1 144 ? 6.495 54.799 -10.938 1.00 35.20 ? 144 PHE B CD1 1 ATOM 2793 C CD2 . PHE B 1 144 ? 5.193 53.430 -12.393 1.00 32.54 ? 144 PHE B CD2 1 ATOM 2794 C CE1 . PHE B 1 144 ? 5.335 55.376 -10.434 1.00 34.49 ? 144 PHE B CE1 1 ATOM 2795 C CE2 . PHE B 1 144 ? 4.021 54.002 -11.894 1.00 36.82 ? 144 PHE B CE2 1 ATOM 2796 C CZ . PHE B 1 144 ? 4.094 54.976 -10.913 1.00 36.73 ? 144 PHE B CZ 1 ATOM 2797 N N . VAL B 1 145 ? 6.507 50.685 -10.429 1.00 47.66 ? 145 VAL B N 1 ATOM 2798 C CA . VAL B 1 145 ? 5.407 49.740 -10.297 1.00 48.74 ? 145 VAL B CA 1 ATOM 2799 C C . VAL B 1 145 ? 4.200 50.397 -9.636 1.00 52.50 ? 145 VAL B C 1 ATOM 2800 O O . VAL B 1 145 ? 4.302 50.937 -8.530 1.00 54.59 ? 145 VAL B O 1 ATOM 2801 C CB . VAL B 1 145 ? 5.807 48.520 -9.468 1.00 47.87 ? 145 VAL B CB 1 ATOM 2802 C CG1 . VAL B 1 145 ? 4.627 47.571 -9.343 1.00 48.14 ? 145 VAL B CG1 1 ATOM 2803 C CG2 . VAL B 1 145 ? 6.979 47.816 -10.113 1.00 52.60 ? 145 VAL B CG2 1 ATOM 2804 N N . ASN B 1 146 ? 3.067 50.373 -10.332 1.00 56.70 ? 146 ASN B N 1 ATOM 2805 C CA . ASN B 1 146 ? 1.843 50.953 -9.797 1.00 59.78 ? 146 ASN B CA 1 ATOM 2806 C C . ASN B 1 146 ? 0.925 49.855 -9.283 1.00 58.64 ? 146 ASN B C 1 ATOM 2807 O O . ASN B 1 146 ? 0.182 49.235 -10.049 1.00 56.79 ? 146 ASN B O 1 ATOM 2808 C CB . ASN B 1 146 ? 1.113 51.781 -10.852 1.00 69.40 ? 146 ASN B CB 1 ATOM 2809 C CG . ASN B 1 146 ? -0.054 52.564 -10.269 1.00 79.02 ? 146 ASN B CG 1 ATOM 2810 O OD1 . ASN B 1 146 ? -0.885 52.017 -9.539 1.00 79.03 ? 146 ASN B OD1 1 ATOM 2811 N ND2 . ASN B 1 146 ? -0.110 53.859 -10.575 1.00 86.11 ? 146 ASN B ND2 1 ATOM 2812 N N . SER B 1 147 ? 0.975 49.629 -7.975 1.00 55.25 ? 147 SER B N 1 ATOM 2813 C CA . SER B 1 147 ? 0.149 48.607 -7.361 1.00 51.92 ? 147 SER B CA 1 ATOM 2814 C C . SER B 1 147 ? -0.513 49.120 -6.097 1.00 46.93 ? 147 SER B C 1 ATOM 2815 O O . SER B 1 147 ? 0.059 49.072 -5.006 1.00 44.72 ? 147 SER B O 1 ATOM 2816 C CB . SER B 1 147 ? 0.964 47.346 -7.066 1.00 53.26 ? 147 SER B CB 1 ATOM 2817 O OG . SER B 1 147 ? 2.013 47.636 -6.170 1.00 60.61 ? 147 SER B OG 1 ATOM 2818 N N . PRO B 1 148 ? -1.729 49.658 -6.243 1.00 44.20 ? 148 PRO B N 1 ATOM 2819 C CA . PRO B 1 148 ? -2.515 50.195 -5.131 1.00 44.98 ? 148 PRO B CA 1 ATOM 2820 C C . PRO B 1 148 ? -2.925 49.099 -4.145 1.00 43.99 ? 148 PRO B C 1 ATOM 2821 O O . PRO B 1 148 ? -2.885 47.916 -4.477 1.00 44.81 ? 148 PRO B O 1 ATOM 2822 C CB . PRO B 1 148 ? -3.731 50.801 -5.841 1.00 42.96 ? 148 PRO B CB 1 ATOM 2823 C CG . PRO B 1 148 ? -3.854 49.982 -7.079 1.00 40.91 ? 148 PRO B CG 1 ATOM 2824 C CD . PRO B 1 148 ? -2.429 49.856 -7.523 1.00 44.28 ? 148 PRO B CD 1 ATOM 2825 N N . THR B 1 149 ? -3.267 49.491 -2.919 1.00 44.18 ? 149 THR B N 1 ATOM 2826 C CA . THR B 1 149 ? -3.701 48.540 -1.893 1.00 41.96 ? 149 THR B CA 1 ATOM 2827 C C . THR B 1 149 ? -5.217 48.527 -1.911 1.00 41.14 ? 149 THR B C 1 ATOM 2828 O O . THR B 1 149 ? -5.837 49.382 -2.540 1.00 47.38 ? 149 THR B O 1 ATOM 2829 C CB . THR B 1 149 ? -3.258 48.959 -0.479 1.00 40.22 ? 149 THR B CB 1 ATOM 2830 O OG1 . THR B 1 149 ? -4.069 50.047 -0.023 1.00 43.47 ? 149 THR B OG1 1 ATOM 2831 C CG2 . THR B 1 149 ? -1.806 49.382 -0.475 1.00 35.60 ? 149 THR B CG2 1 ATOM 2832 N N . ARG B 1 150 ? -5.827 47.598 -1.190 1.00 37.22 ? 150 ARG B N 1 ATOM 2833 C CA . ARG B 1 150 ? -7.283 47.541 -1.177 1.00 36.14 ? 150 ARG B CA 1 ATOM 2834 C C . ARG B 1 150 ? -7.894 48.779 -0.530 1.00 36.13 ? 150 ARG B C 1 ATOM 2835 O O . ARG B 1 150 ? -9.028 49.156 -0.824 1.00 39.38 ? 150 ARG B O 1 ATOM 2836 C CB . ARG B 1 150 ? -7.763 46.278 -0.469 1.00 42.47 ? 150 ARG B CB 1 ATOM 2837 C CG . ARG B 1 150 ? -7.221 46.080 0.918 1.00 45.33 ? 150 ARG B CG 1 ATOM 2838 C CD . ARG B 1 150 ? -7.644 44.725 1.423 1.00 46.32 ? 150 ARG B CD 1 ATOM 2839 N NE . ARG B 1 150 ? -6.886 44.272 2.592 1.00 66.41 ? 150 ARG B NE 1 ATOM 2840 C CZ . ARG B 1 150 ? -5.558 44.112 2.651 1.00 76.63 ? 150 ARG B CZ 1 ATOM 2841 N NH1 . ARG B 1 150 ? -4.778 44.370 1.598 1.00 80.47 ? 150 ARG B NH1 1 ATOM 2842 N NH2 . ARG B 1 150 ? -5.003 43.664 3.777 1.00 77.54 ? 150 ARG B NH2 1 ATOM 2843 N N . PHE B 1 151 ? -7.088 49.457 0.281 1.00 34.56 ? 151 PHE B N 1 ATOM 2844 C CA . PHE B 1 151 ? -7.536 50.635 1.013 1.00 32.78 ? 151 PHE B CA 1 ATOM 2845 C C . PHE B 1 151 ? -7.774 51.876 0.175 1.00 31.64 ? 151 PHE B C 1 ATOM 2846 O O . PHE B 1 151 ? -8.424 52.824 0.629 1.00 33.65 ? 151 PHE B O 1 ATOM 2847 C CB . PHE B 1 151 ? -6.572 50.916 2.160 1.00 27.39 ? 151 PHE B CB 1 ATOM 2848 C CG . PHE B 1 151 ? -6.424 49.758 3.099 1.00 24.40 ? 151 PHE B CG 1 ATOM 2849 C CD1 . PHE B 1 151 ? -5.219 49.068 3.191 1.00 25.66 ? 151 PHE B CD1 1 ATOM 2850 C CD2 . PHE B 1 151 ? -7.510 49.321 3.854 1.00 21.10 ? 151 PHE B CD2 1 ATOM 2851 C CE1 . PHE B 1 151 ? -5.109 47.949 4.021 1.00 26.29 ? 151 PHE B CE1 1 ATOM 2852 C CE2 . PHE B 1 151 ? -7.408 48.217 4.678 1.00 19.99 ? 151 PHE B CE2 1 ATOM 2853 C CZ . PHE B 1 151 ? -6.210 47.527 4.766 1.00 20.92 ? 151 PHE B CZ 1 ATOM 2854 N N . VAL B 1 152 ? -7.245 51.873 -1.045 1.00 32.04 ? 152 VAL B N 1 ATOM 2855 C CA . VAL B 1 152 ? -7.423 52.989 -1.959 1.00 32.89 ? 152 VAL B CA 1 ATOM 2856 C C . VAL B 1 152 ? -8.871 52.953 -2.438 1.00 36.84 ? 152 VAL B C 1 ATOM 2857 O O . VAL B 1 152 ? -9.589 53.942 -2.329 1.00 41.96 ? 152 VAL B O 1 ATOM 2858 C CB . VAL B 1 152 ? -6.462 52.888 -3.162 1.00 31.48 ? 152 VAL B CB 1 ATOM 2859 C CG1 . VAL B 1 152 ? -6.737 53.987 -4.149 1.00 29.45 ? 152 VAL B CG1 1 ATOM 2860 C CG2 . VAL B 1 152 ? -5.029 52.974 -2.689 1.00 26.66 ? 152 VAL B CG2 1 ATOM 2861 N N . GLU B 1 153 ? -9.313 51.793 -2.917 1.00 37.68 ? 153 GLU B N 1 ATOM 2862 C CA . GLU B 1 153 ? -10.678 51.633 -3.398 1.00 39.42 ? 153 GLU B CA 1 ATOM 2863 C C . GLU B 1 153 ? -11.674 51.722 -2.235 1.00 37.26 ? 153 GLU B C 1 ATOM 2864 O O . GLU B 1 153 ? -12.760 52.285 -2.379 1.00 39.28 ? 153 GLU B O 1 ATOM 2865 C CB . GLU B 1 153 ? -10.815 50.295 -4.119 1.00 53.32 ? 153 GLU B CB 1 ATOM 2866 C CG . GLU B 1 153 ? -12.131 50.106 -4.858 1.00 76.31 ? 153 GLU B CG 1 ATOM 2867 C CD . GLU B 1 153 ? -12.248 48.724 -5.489 1.00 89.07 ? 153 GLU B CD 1 ATOM 2868 O OE1 . GLU B 1 153 ? -13.086 47.915 -5.015 1.00 91.87 ? 153 GLU B OE1 1 ATOM 2869 O OE2 . GLU B 1 153 ? -11.495 48.445 -6.454 1.00 91.18 ? 153 GLU B OE2 1 ATOM 2870 N N . TYR B 1 154 ? -11.289 51.171 -1.086 1.00 31.92 ? 154 TYR B N 1 ATOM 2871 C CA . TYR B 1 154 ? -12.136 51.179 0.108 1.00 34.45 ? 154 TYR B CA 1 ATOM 2872 C C . TYR B 1 154 ? -12.490 52.593 0.560 1.00 33.41 ? 154 TYR B C 1 ATOM 2873 O O . TYR B 1 154 ? -13.589 52.835 1.060 1.00 32.56 ? 154 TYR B O 1 ATOM 2874 C CB . TYR B 1 154 ? -11.448 50.453 1.263 1.00 35.35 ? 154 TYR B CB 1 ATOM 2875 C CG . TYR B 1 154 ? -11.414 48.943 1.166 1.00 42.00 ? 154 TYR B CG 1 ATOM 2876 C CD1 . TYR B 1 154 ? -11.891 48.268 0.040 1.00 46.08 ? 154 TYR B CD1 1 ATOM 2877 C CD2 . TYR B 1 154 ? -10.898 48.181 2.213 1.00 43.71 ? 154 TYR B CD2 1 ATOM 2878 C CE1 . TYR B 1 154 ? -11.844 46.857 -0.030 1.00 51.17 ? 154 TYR B CE1 1 ATOM 2879 C CE2 . TYR B 1 154 ? -10.853 46.785 2.153 1.00 43.88 ? 154 TYR B CE2 1 ATOM 2880 C CZ . TYR B 1 154 ? -11.321 46.131 1.038 1.00 48.69 ? 154 TYR B CZ 1 ATOM 2881 O OH . TYR B 1 154 ? -11.251 44.756 0.995 1.00 50.97 ? 154 TYR B OH 1 ATOM 2882 N N . ALA B 1 155 ? -11.542 53.518 0.399 1.00 34.81 ? 155 ALA B N 1 ATOM 2883 C CA . ALA B 1 155 ? -11.745 54.914 0.778 1.00 31.08 ? 155 ALA B CA 1 ATOM 2884 C C . ALA B 1 155 ? -12.769 55.564 -0.144 1.00 31.53 ? 155 ALA B C 1 ATOM 2885 O O . ALA B 1 155 ? -13.610 56.335 0.310 1.00 34.08 ? 155 ALA B O 1 ATOM 2886 C CB . ALA B 1 155 ? -10.424 55.671 0.730 1.00 28.00 ? 155 ALA B CB 1 ATOM 2887 N N . GLU B 1 156 ? -12.710 55.220 -1.433 1.00 32.58 ? 156 GLU B N 1 ATOM 2888 C CA . GLU B 1 156 ? -13.637 55.752 -2.439 1.00 34.89 ? 156 GLU B CA 1 ATOM 2889 C C . GLU B 1 156 ? -15.037 55.218 -2.170 1.00 36.29 ? 156 GLU B C 1 ATOM 2890 O O . GLU B 1 156 ? -16.024 55.949 -2.246 1.00 38.36 ? 156 GLU B O 1 ATOM 2891 C CB . GLU B 1 156 ? -13.182 55.351 -3.844 1.00 35.08 ? 156 GLU B CB 1 ATOM 2892 C CG . GLU B 1 156 ? -14.073 55.859 -4.965 1.00 40.17 ? 156 GLU B CG 1 ATOM 2893 C CD . GLU B 1 156 ? -13.519 55.536 -6.349 1.00 52.66 ? 156 GLU B CD 1 ATOM 2894 O OE1 . GLU B 1 156 ? -13.687 56.371 -7.262 1.00 55.99 ? 156 GLU B OE1 1 ATOM 2895 O OE2 . GLU B 1 156 ? -12.907 54.454 -6.533 1.00 56.39 ? 156 GLU B OE2 1 ATOM 2896 N N . LEU B 1 157 ? -15.091 53.934 -1.839 1.00 36.87 ? 157 LEU B N 1 ATOM 2897 C CA . LEU B 1 157 ? -16.327 53.239 -1.523 1.00 40.00 ? 157 LEU B CA 1 ATOM 2898 C C . LEU B 1 157 ? -16.974 53.845 -0.270 1.00 39.50 ? 157 LEU B C 1 ATOM 2899 O O . LEU B 1 157 ? -18.188 54.039 -0.222 1.00 43.01 ? 157 LEU B O 1 ATOM 2900 C CB . LEU B 1 157 ? -16.011 51.753 -1.317 1.00 44.34 ? 157 LEU B CB 1 ATOM 2901 C CG . LEU B 1 157 ? -17.119 50.724 -1.111 1.00 50.28 ? 157 LEU B CG 1 ATOM 2902 C CD1 . LEU B 1 157 ? -17.634 50.753 0.313 1.00 56.85 ? 157 LEU B CD1 1 ATOM 2903 C CD2 . LEU B 1 157 ? -18.237 50.972 -2.107 1.00 60.83 ? 157 LEU B CD2 1 ATOM 2904 N N . ALA B 1 158 ? -16.150 54.165 0.727 1.00 38.37 ? 158 ALA B N 1 ATOM 2905 C CA . ALA B 1 158 ? -16.632 54.747 1.977 1.00 36.47 ? 158 ALA B CA 1 ATOM 2906 C C . ALA B 1 158 ? -17.235 56.123 1.749 1.00 37.02 ? 158 ALA B C 1 ATOM 2907 O O . ALA B 1 158 ? -18.247 56.469 2.352 1.00 37.51 ? 158 ALA B O 1 ATOM 2908 C CB . ALA B 1 158 ? -15.509 54.829 2.990 1.00 36.75 ? 158 ALA B CB 1 ATOM 2909 N N . ALA B 1 159 ? -16.611 56.906 0.876 1.00 38.05 ? 159 ALA B N 1 ATOM 2910 C CA . ALA B 1 159 ? -17.105 58.240 0.563 1.00 40.03 ? 159 ALA B CA 1 ATOM 2911 C C . ALA B 1 159 ? -18.504 58.187 -0.060 1.00 45.82 ? 159 ALA B C 1 ATOM 2912 O O . ALA B 1 159 ? -19.403 58.918 0.364 1.00 49.87 ? 159 ALA B O 1 ATOM 2913 C CB . ALA B 1 159 ? -16.148 58.943 -0.364 1.00 38.03 ? 159 ALA B CB 1 ATOM 2914 N N . GLU B 1 160 ? -18.686 57.309 -1.048 1.00 45.39 ? 160 GLU B N 1 ATOM 2915 C CA . GLU B 1 160 ? -19.972 57.152 -1.730 1.00 48.43 ? 160 GLU B CA 1 ATOM 2916 C C . GLU B 1 160 ? -21.067 56.830 -0.731 1.00 49.21 ? 160 GLU B C 1 ATOM 2917 O O . GLU B 1 160 ? -22.068 57.536 -0.637 1.00 51.49 ? 160 GLU B O 1 ATOM 2918 C CB . GLU B 1 160 ? -19.895 56.037 -2.771 1.00 53.11 ? 160 GLU B CB 1 ATOM 2919 C CG . GLU B 1 160 ? -19.019 56.365 -3.970 1.00 66.23 ? 160 GLU B CG 1 ATOM 2920 C CD . GLU B 1 160 ? -18.816 55.178 -4.910 1.00 74.52 ? 160 GLU B CD 1 ATOM 2921 O OE1 . GLU B 1 160 ? -19.593 54.197 -4.840 1.00 79.34 ? 160 GLU B OE1 1 ATOM 2922 O OE2 . GLU B 1 160 ? -17.872 55.227 -5.728 1.00 74.73 ? 160 GLU B OE2 1 ATOM 2923 N N . VAL B 1 161 ? -20.833 55.783 0.047 1.00 47.79 ? 161 VAL B N 1 ATOM 2924 C CA . VAL B 1 161 ? -21.773 55.327 1.055 1.00 45.73 ? 161 VAL B CA 1 ATOM 2925 C C . VAL B 1 161 ? -22.136 56.406 2.081 1.00 48.45 ? 161 VAL B C 1 ATOM 2926 O O . VAL B 1 161 ? -23.306 56.570 2.423 1.00 53.56 ? 161 VAL B O 1 ATOM 2927 C CB . VAL B 1 161 ? -21.218 54.080 1.766 1.00 45.46 ? 161 VAL B CB 1 ATOM 2928 C CG1 . VAL B 1 161 ? -22.067 53.728 2.963 1.00 47.51 ? 161 VAL B CG1 1 ATOM 2929 C CG2 . VAL B 1 161 ? -21.164 52.906 0.792 1.00 44.64 ? 161 VAL B CG2 1 ATOM 2930 N N . ALA B 1 162 ? -21.141 57.159 2.543 1.00 47.50 ? 162 ALA B N 1 ATOM 2931 C CA . ALA B 1 162 ? -21.370 58.212 3.531 1.00 44.20 ? 162 ALA B CA 1 ATOM 2932 C C . ALA B 1 162 ? -21.862 59.507 2.902 1.00 43.26 ? 162 ALA B C 1 ATOM 2933 O O . ALA B 1 162 ? -22.328 60.408 3.598 1.00 42.53 ? 162 ALA B O 1 ATOM 2934 C CB . ALA B 1 162 ? -20.104 58.467 4.325 1.00 41.01 ? 162 ALA B CB 1 ATOM 2935 N N . GLY B 1 163 ? -21.732 59.608 1.586 1.00 41.74 ? 163 GLY B N 1 ATOM 2936 C CA . GLY B 1 163 ? -22.174 60.802 0.893 1.00 42.06 ? 163 GLY B CA 1 ATOM 2937 C C . GLY B 1 163 ? -21.279 62.010 1.096 1.00 40.70 ? 163 GLY B C 1 ATOM 2938 O O . GLY B 1 163 ? -21.754 63.143 1.187 1.00 38.24 ? 163 GLY B O 1 ATOM 2939 N N . VAL B 1 164 ? -19.977 61.773 1.187 1.00 41.49 ? 164 VAL B N 1 ATOM 2940 C CA . VAL B 1 164 ? -19.024 62.862 1.359 1.00 40.28 ? 164 VAL B CA 1 ATOM 2941 C C . VAL B 1 164 ? -18.083 62.920 0.161 1.00 40.64 ? 164 VAL B C 1 ATOM 2942 O O . VAL B 1 164 ? -18.225 62.148 -0.790 1.00 42.37 ? 164 VAL B O 1 ATOM 2943 C CB . VAL B 1 164 ? -18.217 62.726 2.671 1.00 43.98 ? 164 VAL B CB 1 ATOM 2944 C CG1 . VAL B 1 164 ? -19.137 62.862 3.866 1.00 41.84 ? 164 VAL B CG1 1 ATOM 2945 C CG2 . VAL B 1 164 ? -17.488 61.395 2.717 1.00 42.32 ? 164 VAL B CG2 1 ATOM 2946 N N . GLU B 1 165 ? -17.131 63.843 0.199 1.00 39.92 ? 165 GLU B N 1 ATOM 2947 C CA . GLU B 1 165 ? -16.194 63.998 -0.903 1.00 40.52 ? 165 GLU B CA 1 ATOM 2948 C C . GLU B 1 165 ? -15.017 63.061 -0.819 1.00 39.14 ? 165 GLU B C 1 ATOM 2949 O O . GLU B 1 165 ? -14.603 62.663 0.262 1.00 40.02 ? 165 GLU B O 1 ATOM 2950 C CB . GLU B 1 165 ? -15.705 65.439 -0.993 1.00 38.39 ? 165 GLU B CB 1 ATOM 2951 C CG . GLU B 1 165 ? -16.820 66.401 -1.302 1.00 42.54 ? 165 GLU B CG 1 ATOM 2952 C CD . GLU B 1 165 ? -16.376 67.835 -1.287 1.00 43.95 ? 165 GLU B CD 1 ATOM 2953 O OE1 . GLU B 1 165 ? -16.287 68.405 -0.176 1.00 47.62 ? 165 GLU B OE1 1 ATOM 2954 O OE2 . GLU B 1 165 ? -16.134 68.387 -2.386 1.00 45.42 ? 165 GLU B OE2 1 ATOM 2955 N N . TYR B 1 166 ? -14.487 62.712 -1.984 1.00 40.25 ? 166 TYR B N 1 ATOM 2956 C CA . TYR B 1 166 ? -13.342 61.824 -2.078 1.00 38.33 ? 166 TYR B CA 1 ATOM 2957 C C . TYR B 1 166 ? -12.275 62.428 -2.977 1.00 38.74 ? 166 TYR B C 1 ATOM 2958 O O . TYR B 1 166 ? -12.581 63.030 -4.002 1.00 38.68 ? 166 TYR B O 1 ATOM 2959 C CB . TYR B 1 166 ? -13.766 60.465 -2.632 1.00 37.58 ? 166 TYR B CB 1 ATOM 2960 C CG . TYR B 1 166 ? -12.608 59.561 -2.991 1.00 38.86 ? 166 TYR B CG 1 ATOM 2961 C CD1 . TYR B 1 166 ? -11.771 59.030 -2.010 1.00 39.64 ? 166 TYR B CD1 1 ATOM 2962 C CD2 . TYR B 1 166 ? -12.353 59.229 -4.315 1.00 37.88 ? 166 TYR B CD2 1 ATOM 2963 C CE1 . TYR B 1 166 ? -10.705 58.183 -2.348 1.00 43.20 ? 166 TYR B CE1 1 ATOM 2964 C CE2 . TYR B 1 166 ? -11.296 58.387 -4.663 1.00 42.75 ? 166 TYR B CE2 1 ATOM 2965 C CZ . TYR B 1 166 ? -10.474 57.864 -3.678 1.00 41.74 ? 166 TYR B CZ 1 ATOM 2966 O OH . TYR B 1 166 ? -9.440 57.016 -4.030 1.00 37.63 ? 166 TYR B OH 1 ATOM 2967 N N . VAL B 1 167 ? -11.022 62.277 -2.566 1.00 34.36 ? 167 VAL B N 1 ATOM 2968 C CA . VAL B 1 167 ? -9.878 62.774 -3.314 1.00 30.60 ? 167 VAL B CA 1 ATOM 2969 C C . VAL B 1 167 ? -8.925 61.595 -3.461 1.00 33.35 ? 167 VAL B C 1 ATOM 2970 O O . VAL B 1 167 ? -8.525 60.974 -2.481 1.00 37.99 ? 167 VAL B O 1 ATOM 2971 C CB . VAL B 1 167 ? -9.171 63.918 -2.565 1.00 33.41 ? 167 VAL B CB 1 ATOM 2972 C CG1 . VAL B 1 167 ? -7.931 64.346 -3.295 1.00 27.64 ? 167 VAL B CG1 1 ATOM 2973 C CG2 . VAL B 1 167 ? -10.099 65.092 -2.425 1.00 36.40 ? 167 VAL B CG2 1 ATOM 2974 N N . ASP B 1 168 ? -8.596 61.262 -4.699 1.00 33.65 ? 168 ASP B N 1 ATOM 2975 C CA . ASP B 1 168 ? -7.702 60.152 -4.969 1.00 33.06 ? 168 ASP B CA 1 ATOM 2976 C C . ASP B 1 168 ? -6.268 60.620 -4.802 1.00 35.24 ? 168 ASP B C 1 ATOM 2977 O O . ASP B 1 168 ? -5.572 60.879 -5.783 1.00 41.20 ? 168 ASP B O 1 ATOM 2978 C CB . ASP B 1 168 ? -7.934 59.661 -6.391 1.00 40.75 ? 168 ASP B CB 1 ATOM 2979 C CG . ASP B 1 168 ? -7.338 58.298 -6.648 1.00 42.56 ? 168 ASP B CG 1 ATOM 2980 O OD1 . ASP B 1 168 ? -6.604 57.766 -5.785 1.00 42.27 ? 168 ASP B OD1 1 ATOM 2981 O OD2 . ASP B 1 168 ? -7.616 57.754 -7.735 1.00 45.71 ? 168 ASP B OD2 1 ATOM 2982 N N . HIS B 1 169 ? -5.821 60.724 -3.555 1.00 32.06 ? 169 HIS B N 1 ATOM 2983 C CA . HIS B 1 169 ? -4.468 61.183 -3.277 1.00 29.83 ? 169 HIS B CA 1 ATOM 2984 C C . HIS B 1 169 ? -3.434 60.203 -3.813 1.00 32.22 ? 169 HIS B C 1 ATOM 2985 O O . HIS B 1 169 ? -2.363 60.615 -4.254 1.00 35.55 ? 169 HIS B O 1 ATOM 2986 C CB . HIS B 1 169 ? -4.280 61.376 -1.774 1.00 35.61 ? 169 HIS B CB 1 ATOM 2987 C CG . HIS B 1 169 ? -3.081 62.196 -1.408 1.00 35.11 ? 169 HIS B CG 1 ATOM 2988 N ND1 . HIS B 1 169 ? -2.638 62.325 -0.112 1.00 38.66 ? 169 HIS B ND1 1 ATOM 2989 C CD2 . HIS B 1 169 ? -2.249 62.946 -2.165 1.00 40.87 ? 169 HIS B CD2 1 ATOM 2990 C CE1 . HIS B 1 169 ? -1.584 63.121 -0.085 1.00 34.53 ? 169 HIS B CE1 1 ATOM 2991 N NE2 . HIS B 1 169 ? -1.327 63.512 -1.317 1.00 33.86 ? 169 HIS B NE2 1 ATOM 2992 N N . TRP B 1 170 ? -3.757 58.911 -3.782 1.00 32.02 ? 170 TRP B N 1 ATOM 2993 C CA . TRP B 1 170 ? -2.846 57.869 -4.267 1.00 34.38 ? 170 TRP B CA 1 ATOM 2994 C C . TRP B 1 170 ? -2.401 58.117 -5.702 1.00 33.97 ? 170 TRP B C 1 ATOM 2995 O O . TRP B 1 170 ? -1.213 58.240 -5.985 1.00 36.23 ? 170 TRP B O 1 ATOM 2996 C CB . TRP B 1 170 ? -3.509 56.486 -4.179 1.00 30.70 ? 170 TRP B CB 1 ATOM 2997 C CG . TRP B 1 170 ? -2.755 55.406 -4.923 1.00 40.26 ? 170 TRP B CG 1 ATOM 2998 C CD1 . TRP B 1 170 ? -2.724 55.204 -6.284 1.00 42.35 ? 170 TRP B CD1 1 ATOM 2999 C CD2 . TRP B 1 170 ? -1.862 54.436 -4.363 1.00 37.65 ? 170 TRP B CD2 1 ATOM 3000 N NE1 . TRP B 1 170 ? -1.854 54.185 -6.600 1.00 41.98 ? 170 TRP B NE1 1 ATOM 3001 C CE2 . TRP B 1 170 ? -1.310 53.697 -5.440 1.00 42.77 ? 170 TRP B CE2 1 ATOM 3002 C CE3 . TRP B 1 170 ? -1.468 54.122 -3.060 1.00 38.46 ? 170 TRP B CE3 1 ATOM 3003 C CZ2 . TRP B 1 170 ? -0.380 52.666 -5.248 1.00 46.36 ? 170 TRP B CZ2 1 ATOM 3004 C CZ3 . TRP B 1 170 ? -0.542 53.092 -2.869 1.00 46.43 ? 170 TRP B CZ3 1 ATOM 3005 C CH2 . TRP B 1 170 ? -0.009 52.379 -3.960 1.00 46.84 ? 170 TRP B CH2 1 ATOM 3006 N N . SER B 1 171 ? -3.378 58.175 -6.599 1.00 36.95 ? 171 SER B N 1 ATOM 3007 C CA . SER B 1 171 ? -3.134 58.363 -8.024 1.00 36.52 ? 171 SER B CA 1 ATOM 3008 C C . SER B 1 171 ? -2.372 59.624 -8.383 1.00 35.37 ? 171 SER B C 1 ATOM 3009 O O . SER B 1 171 ? -1.521 59.601 -9.263 1.00 34.95 ? 171 SER B O 1 ATOM 3010 C CB . SER B 1 171 ? -4.455 58.318 -8.783 1.00 37.24 ? 171 SER B CB 1 ATOM 3011 O OG . SER B 1 171 ? -5.117 57.093 -8.531 1.00 33.80 ? 171 SER B OG 1 ATOM 3012 N N . TYR B 1 172 ? -2.677 60.723 -7.706 1.00 33.44 ? 172 TYR B N 1 ATOM 3013 C CA . TYR B 1 172 ? -1.995 61.971 -7.990 1.00 29.89 ? 172 TYR B CA 1 ATOM 3014 C C . TYR B 1 172 ? -0.559 61.963 -7.513 1.00 33.23 ? 172 TYR B C 1 ATOM 3015 O O . TYR B 1 172 ? 0.291 62.647 -8.088 1.00 37.70 ? 172 TYR B O 1 ATOM 3016 C CB . TYR B 1 172 ? -2.770 63.156 -7.426 1.00 29.73 ? 172 TYR B CB 1 ATOM 3017 C CG . TYR B 1 172 ? -3.904 63.572 -8.330 1.00 34.74 ? 172 TYR B CG 1 ATOM 3018 C CD1 . TYR B 1 172 ? -5.173 63.034 -8.177 1.00 36.96 ? 172 TYR B CD1 1 ATOM 3019 C CD2 . TYR B 1 172 ? -3.696 64.482 -9.369 1.00 36.20 ? 172 TYR B CD2 1 ATOM 3020 C CE1 . TYR B 1 172 ? -6.210 63.387 -9.032 1.00 39.42 ? 172 TYR B CE1 1 ATOM 3021 C CE2 . TYR B 1 172 ? -4.727 64.842 -10.234 1.00 36.11 ? 172 TYR B CE2 1 ATOM 3022 C CZ . TYR B 1 172 ? -5.982 64.292 -10.059 1.00 38.64 ? 172 TYR B CZ 1 ATOM 3023 O OH . TYR B 1 172 ? -7.018 64.650 -10.902 1.00 38.06 ? 172 TYR B OH 1 ATOM 3024 N N . VAL B 1 173 ? -0.274 61.168 -6.483 1.00 35.78 ? 173 VAL B N 1 ATOM 3025 C CA . VAL B 1 173 ? 1.092 61.085 -5.971 1.00 34.96 ? 173 VAL B CA 1 ATOM 3026 C C . VAL B 1 173 ? 1.896 60.201 -6.899 1.00 34.50 ? 173 VAL B C 1 ATOM 3027 O O . VAL B 1 173 ? 2.965 60.583 -7.361 1.00 38.81 ? 173 VAL B O 1 ATOM 3028 C CB . VAL B 1 173 ? 1.158 60.525 -4.533 1.00 33.67 ? 173 VAL B CB 1 ATOM 3029 C CG1 . VAL B 1 173 ? 2.603 60.395 -4.092 1.00 30.66 ? 173 VAL B CG1 1 ATOM 3030 C CG2 . VAL B 1 173 ? 0.433 61.446 -3.580 1.00 27.33 ? 173 VAL B CG2 1 ATOM 3031 N N . ASP B 1 174 ? 1.356 59.031 -7.211 1.00 36.91 ? 174 ASP B N 1 ATOM 3032 C CA . ASP B 1 174 ? 2.043 58.120 -8.105 1.00 40.65 ? 174 ASP B CA 1 ATOM 3033 C C . ASP B 1 174 ? 2.314 58.763 -9.458 1.00 39.95 ? 174 ASP B C 1 ATOM 3034 O O . ASP B 1 174 ? 3.396 58.602 -10.018 1.00 43.24 ? 174 ASP B O 1 ATOM 3035 C CB . ASP B 1 174 ? 1.238 56.836 -8.274 1.00 39.13 ? 174 ASP B CB 1 ATOM 3036 C CG . ASP B 1 174 ? 1.923 55.645 -7.649 1.00 44.41 ? 174 ASP B CG 1 ATOM 3037 O OD1 . ASP B 1 174 ? 2.962 55.828 -6.973 1.00 49.76 ? 174 ASP B OD1 1 ATOM 3038 O OD2 . ASP B 1 174 ? 1.437 54.518 -7.836 1.00 45.11 ? 174 ASP B OD2 1 ATOM 3039 N N . SER B 1 175 ? 1.343 59.533 -9.947 1.00 40.58 ? 175 SER B N 1 ATOM 3040 C CA . SER B 1 175 ? 1.444 60.217 -11.229 1.00 42.63 ? 175 SER B CA 1 ATOM 3041 C C . SER B 1 175 ? 2.727 61.038 -11.363 1.00 43.16 ? 175 SER B C 1 ATOM 3042 O O . SER B 1 175 ? 3.469 60.865 -12.337 1.00 49.35 ? 175 SER B O 1 ATOM 3043 C CB . SER B 1 175 ? 0.220 61.103 -11.445 1.00 46.12 ? 175 SER B CB 1 ATOM 3044 O OG . SER B 1 175 ? 0.316 61.814 -12.660 1.00 47.46 ? 175 SER B OG 1 ATOM 3045 N N . ILE B 1 176 ? 2.991 61.926 -10.401 1.00 42.16 ? 176 ILE B N 1 ATOM 3046 C CA . ILE B 1 176 ? 4.209 62.751 -10.446 1.00 47.33 ? 176 ILE B CA 1 ATOM 3047 C C . ILE B 1 176 ? 5.457 61.967 -10.051 1.00 45.84 ? 176 ILE B C 1 ATOM 3048 O O . ILE B 1 176 ? 6.573 62.332 -10.421 1.00 53.50 ? 176 ILE B O 1 ATOM 3049 C CB . ILE B 1 176 ? 4.104 64.005 -9.571 1.00 53.79 ? 176 ILE B CB 1 ATOM 3050 C CG1 . ILE B 1 176 ? 3.692 63.614 -8.157 1.00 59.16 ? 176 ILE B CG1 1 ATOM 3051 C CG2 . ILE B 1 176 ? 3.137 65.001 -10.189 1.00 59.43 ? 176 ILE B CG2 1 ATOM 3052 C CD1 . ILE B 1 176 ? 3.526 64.783 -7.241 1.00 74.26 ? 176 ILE B CD1 1 ATOM 3053 N N . TYR B 1 177 ? 5.265 60.893 -9.293 1.00 43.56 ? 177 TYR B N 1 ATOM 3054 C CA . TYR B 1 177 ? 6.379 60.054 -8.892 1.00 44.67 ? 177 TYR B CA 1 ATOM 3055 C C . TYR B 1 177 ? 6.959 59.448 -10.163 1.00 46.39 ? 177 TYR B C 1 ATOM 3056 O O . TYR B 1 177 ? 8.176 59.437 -10.348 1.00 47.91 ? 177 TYR B O 1 ATOM 3057 C CB . TYR B 1 177 ? 5.919 58.951 -7.929 1.00 44.98 ? 177 TYR B CB 1 ATOM 3058 C CG . TYR B 1 177 ? 6.039 59.301 -6.446 1.00 47.05 ? 177 TYR B CG 1 ATOM 3059 C CD1 . TYR B 1 177 ? 6.623 60.500 -6.031 1.00 39.55 ? 177 TYR B CD1 1 ATOM 3060 C CD2 . TYR B 1 177 ? 5.572 58.421 -5.460 1.00 42.63 ? 177 TYR B CD2 1 ATOM 3061 C CE1 . TYR B 1 177 ? 6.735 60.813 -4.686 1.00 40.35 ? 177 TYR B CE1 1 ATOM 3062 C CE2 . TYR B 1 177 ? 5.682 58.727 -4.116 1.00 39.01 ? 177 TYR B CE2 1 ATOM 3063 C CZ . TYR B 1 177 ? 6.262 59.925 -3.736 1.00 41.86 ? 177 TYR B CZ 1 ATOM 3064 O OH . TYR B 1 177 ? 6.349 60.253 -2.406 1.00 40.41 ? 177 TYR B OH 1 ATOM 3065 N N . GLU B 1 178 ? 6.076 59.023 -11.067 1.00 49.23 ? 178 GLU B N 1 ATOM 3066 C CA . GLU B 1 178 ? 6.474 58.423 -12.342 1.00 51.24 ? 178 GLU B CA 1 ATOM 3067 C C . GLU B 1 178 ? 7.230 59.425 -13.211 1.00 49.58 ? 178 GLU B C 1 ATOM 3068 O O . GLU B 1 178 ? 8.212 59.075 -13.871 1.00 50.21 ? 178 GLU B O 1 ATOM 3069 C CB . GLU B 1 178 ? 5.240 57.918 -13.083 1.00 52.21 ? 178 GLU B CB 1 ATOM 3070 C CG . GLU B 1 178 ? 5.538 57.168 -14.366 1.00 56.37 ? 178 GLU B CG 1 ATOM 3071 C CD . GLU B 1 178 ? 4.284 56.599 -15.021 1.00 64.88 ? 178 GLU B CD 1 ATOM 3072 O OE1 . GLU B 1 178 ? 3.164 57.059 -14.687 1.00 64.40 ? 178 GLU B OE1 1 ATOM 3073 O OE2 . GLU B 1 178 ? 4.417 55.686 -15.872 1.00 64.64 ? 178 GLU B OE2 1 ATOM 3074 N N . THR B 1 179 ? 6.767 60.672 -13.189 1.00 45.70 ? 179 THR B N 1 ATOM 3075 C CA . THR B 1 179 ? 7.376 61.756 -13.953 1.00 46.43 ? 179 THR B CA 1 ATOM 3076 C C . THR B 1 179 ? 8.773 62.112 -13.452 1.00 47.28 ? 179 THR B C 1 ATOM 3077 O O . THR B 1 179 ? 9.700 62.300 -14.243 1.00 50.83 ? 179 THR B O 1 ATOM 3078 C CB . THR B 1 179 ? 6.518 63.031 -13.864 1.00 45.26 ? 179 THR B CB 1 ATOM 3079 O OG1 . THR B 1 179 ? 5.215 62.768 -14.390 1.00 42.37 ? 179 THR B OG1 1 ATOM 3080 C CG2 . THR B 1 179 ? 7.158 64.174 -14.635 1.00 46.66 ? 179 THR B CG2 1 ATOM 3081 N N . LEU B 1 180 ? 8.914 62.196 -12.134 1.00 42.74 ? 180 LEU B N 1 ATOM 3082 C CA . LEU B 1 180 ? 10.178 62.573 -11.523 1.00 40.28 ? 180 LEU B CA 1 ATOM 3083 C C . LEU B 1 180 ? 11.332 61.571 -11.688 1.00 43.65 ? 180 LEU B C 1 ATOM 3084 O O . LEU B 1 180 ? 12.501 61.970 -11.651 1.00 47.47 ? 180 LEU B O 1 ATOM 3085 C CB . LEU B 1 180 ? 9.937 62.959 -10.058 1.00 44.39 ? 180 LEU B CB 1 ATOM 3086 C CG . LEU B 1 180 ? 8.912 64.090 -9.830 1.00 46.20 ? 180 LEU B CG 1 ATOM 3087 C CD1 . LEU B 1 180 ? 8.638 64.265 -8.364 1.00 43.24 ? 180 LEU B CD1 1 ATOM 3088 C CD2 . LEU B 1 180 ? 9.383 65.399 -10.427 1.00 44.07 ? 180 LEU B CD2 1 ATOM 3089 N N . GLY B 1 181 ? 11.015 60.284 -11.864 1.00 44.62 ? 181 GLY B N 1 ATOM 3090 C CA . GLY B 1 181 ? 12.048 59.268 -12.073 1.00 46.53 ? 181 GLY B CA 1 ATOM 3091 C C . GLY B 1 181 ? 12.690 58.552 -10.887 1.00 49.48 ? 181 GLY B C 1 ATOM 3092 O O . GLY B 1 181 ? 12.542 58.968 -9.736 1.00 50.98 ? 181 GLY B O 1 ATOM 3093 N N . ASN B 1 182 ? 13.440 57.487 -11.194 1.00 50.87 ? 182 ASN B N 1 ATOM 3094 C CA . ASN B 1 182 ? 14.132 56.668 -10.197 1.00 49.66 ? 182 ASN B CA 1 ATOM 3095 C C . ASN B 1 182 ? 14.983 57.475 -9.209 1.00 52.14 ? 182 ASN B C 1 ATOM 3096 O O . ASN B 1 182 ? 14.771 57.415 -7.998 1.00 51.85 ? 182 ASN B O 1 ATOM 3097 C CB . ASN B 1 182 ? 15.010 55.591 -10.875 1.00 51.71 ? 182 ASN B CB 1 ATOM 3098 C CG . ASN B 1 182 ? 15.802 54.786 -9.857 1.00 61.54 ? 182 ASN B CG 1 ATOM 3099 O OD1 . ASN B 1 182 ? 15.192 54.051 -9.076 1.00 62.03 ? 182 ASN B OD1 1 ATOM 3100 N ND2 . ASN B 1 182 ? 17.139 54.887 -9.882 1.00 67.67 ? 182 ASN B ND2 1 ATOM 3101 N N . ALA B 1 183 ? 15.921 58.249 -9.747 1.00 53.93 ? 183 ALA B N 1 ATOM 3102 C CA . ALA B 1 183 ? 16.843 59.056 -8.953 1.00 53.35 ? 183 ALA B CA 1 ATOM 3103 C C . ALA B 1 183 ? 16.176 59.973 -7.944 1.00 52.21 ? 183 ALA B C 1 ATOM 3104 O O . ALA B 1 183 ? 16.383 59.842 -6.736 1.00 54.68 ? 183 ALA B O 1 ATOM 3105 C CB . ALA B 1 183 ? 17.742 59.872 -9.878 1.00 55.45 ? 183 ALA B CB 1 ATOM 3106 N N . THR B 1 184 ? 15.375 60.900 -8.454 1.00 49.40 ? 184 THR B N 1 ATOM 3107 C CA . THR B 1 184 ? 14.688 61.875 -7.623 1.00 50.87 ? 184 THR B CA 1 ATOM 3108 C C . THR B 1 184 ? 13.737 61.295 -6.562 1.00 53.71 ? 184 THR B C 1 ATOM 3109 O O . THR B 1 184 ? 13.816 61.668 -5.385 1.00 52.07 ? 184 THR B O 1 ATOM 3110 C CB . THR B 1 184 ? 13.958 62.923 -8.507 1.00 50.25 ? 184 THR B CB 1 ATOM 3111 O OG1 . THR B 1 184 ? 14.926 63.743 -9.179 1.00 47.45 ? 184 THR B OG1 1 ATOM 3112 C CG2 . THR B 1 184 ? 13.042 63.803 -7.668 1.00 47.46 ? 184 THR B CG2 1 ATOM 3113 N N . VAL B 1 185 ? 12.862 60.376 -6.964 1.00 52.23 ? 185 VAL B N 1 ATOM 3114 C CA . VAL B 1 185 ? 11.909 59.784 -6.029 1.00 47.38 ? 185 VAL B CA 1 ATOM 3115 C C . VAL B 1 185 ? 12.563 58.958 -4.920 1.00 51.25 ? 185 VAL B C 1 ATOM 3116 O O . VAL B 1 185 ? 12.105 58.996 -3.779 1.00 51.45 ? 185 VAL B O 1 ATOM 3117 C CB . VAL B 1 185 ? 10.829 58.959 -6.761 1.00 45.71 ? 185 VAL B CB 1 ATOM 3118 C CG1 . VAL B 1 185 ? 9.907 58.270 -5.762 1.00 39.79 ? 185 VAL B CG1 1 ATOM 3119 C CG2 . VAL B 1 185 ? 10.020 59.871 -7.659 1.00 36.56 ? 185 VAL B CG2 1 ATOM 3120 N N . ASN B 1 186 ? 13.636 58.236 -5.240 1.00 52.77 ? 186 ASN B N 1 ATOM 3121 C CA . ASN B 1 186 ? 14.329 57.429 -4.239 1.00 51.10 ? 186 ASN B CA 1 ATOM 3122 C C . ASN B 1 186 ? 14.997 58.282 -3.171 1.00 48.98 ? 186 ASN B C 1 ATOM 3123 O O . ASN B 1 186 ? 15.236 57.807 -2.060 1.00 49.71 ? 186 ASN B O 1 ATOM 3124 C CB . ASN B 1 186 ? 15.352 56.500 -4.889 1.00 52.68 ? 186 ASN B CB 1 ATOM 3125 C CG . ASN B 1 186 ? 14.739 55.189 -5.340 1.00 55.58 ? 186 ASN B CG 1 ATOM 3126 O OD1 . ASN B 1 186 ? 14.325 54.373 -4.519 1.00 60.27 ? 186 ASN B OD1 1 ATOM 3127 N ND2 . ASN B 1 186 ? 14.673 54.982 -6.647 1.00 53.81 ? 186 ASN B ND2 1 ATOM 3128 N N . SER B 1 187 ? 15.275 59.544 -3.497 1.00 44.17 ? 187 SER B N 1 ATOM 3129 C CA . SER B 1 187 ? 15.904 60.453 -2.543 1.00 44.45 ? 187 SER B CA 1 ATOM 3130 C C . SER B 1 187 ? 14.882 60.979 -1.524 1.00 43.76 ? 187 SER B C 1 ATOM 3131 O O . SER B 1 187 ? 15.231 61.709 -0.593 1.00 44.42 ? 187 SER B O 1 ATOM 3132 C CB . SER B 1 187 ? 16.574 61.616 -3.273 1.00 43.74 ? 187 SER B CB 1 ATOM 3133 O OG . SER B 1 187 ? 15.618 62.584 -3.666 1.00 44.51 ? 187 SER B OG 1 ATOM 3134 N N . TYR B 1 188 ? 13.614 60.631 -1.736 1.00 42.39 ? 188 TYR B N 1 ATOM 3135 C CA . TYR B 1 188 ? 12.524 61.034 -0.849 1.00 42.01 ? 188 TYR B CA 1 ATOM 3136 C C . TYR B 1 188 ? 12.267 59.977 0.215 1.00 45.52 ? 188 TYR B C 1 ATOM 3137 O O . TYR B 1 188 ? 11.455 60.200 1.108 1.00 48.02 ? 188 TYR B O 1 ATOM 3138 C CB . TYR B 1 188 ? 11.228 61.234 -1.628 1.00 40.78 ? 188 TYR B CB 1 ATOM 3139 C CG . TYR B 1 188 ? 11.218 62.405 -2.576 1.00 42.95 ? 188 TYR B CG 1 ATOM 3140 C CD1 . TYR B 1 188 ? 10.271 62.487 -3.590 1.00 43.96 ? 188 TYR B CD1 1 ATOM 3141 C CD2 . TYR B 1 188 ? 12.130 63.447 -2.446 1.00 48.22 ? 188 TYR B CD2 1 ATOM 3142 C CE1 . TYR B 1 188 ? 10.226 63.580 -4.453 1.00 46.48 ? 188 TYR B CE1 1 ATOM 3143 C CE2 . TYR B 1 188 ? 12.094 64.547 -3.303 1.00 44.62 ? 188 TYR B CE2 1 ATOM 3144 C CZ . TYR B 1 188 ? 11.136 64.606 -4.301 1.00 47.16 ? 188 TYR B CZ 1 ATOM 3145 O OH . TYR B 1 188 ? 11.062 65.712 -5.117 1.00 44.93 ? 188 TYR B OH 1 ATOM 3146 N N . PHE B 1 189 ? 12.903 58.811 0.075 1.00 47.36 ? 189 PHE B N 1 ATOM 3147 C CA . PHE B 1 189 ? 12.759 57.704 1.026 1.00 50.13 ? 189 PHE B CA 1 ATOM 3148 C C . PHE B 1 189 ? 14.120 57.289 1.557 1.00 51.35 ? 189 PHE B C 1 ATOM 3149 O O . PHE B 1 189 ? 14.710 56.308 1.093 1.00 54.92 ? 189 PHE B O 1 ATOM 3150 C CB . PHE B 1 189 ? 12.077 56.509 0.362 1.00 49.29 ? 189 PHE B CB 1 ATOM 3151 C CG . PHE B 1 189 ? 10.680 56.793 -0.083 1.00 47.18 ? 189 PHE B CG 1 ATOM 3152 C CD1 . PHE B 1 189 ? 10.431 57.222 -1.377 1.00 43.63 ? 189 PHE B CD1 1 ATOM 3153 C CD2 . PHE B 1 189 ? 9.614 56.659 0.800 1.00 45.04 ? 189 PHE B CD2 1 ATOM 3154 C CE1 . PHE B 1 189 ? 9.141 57.516 -1.788 1.00 45.92 ? 189 PHE B CE1 1 ATOM 3155 C CE2 . PHE B 1 189 ? 8.320 56.950 0.400 1.00 44.90 ? 189 PHE B CE2 1 ATOM 3156 C CZ . PHE B 1 189 ? 8.080 57.379 -0.893 1.00 45.83 ? 189 PHE B CZ 1 ATOM 3157 N N . PRO B 1 190 ? 14.632 58.036 2.547 1.00 52.39 ? 190 PRO B N 1 ATOM 3158 C CA . PRO B 1 190 ? 15.932 57.782 3.171 1.00 52.81 ? 190 PRO B CA 1 ATOM 3159 C C . PRO B 1 190 ? 16.030 56.394 3.809 1.00 56.43 ? 190 PRO B C 1 ATOM 3160 O O . PRO B 1 190 ? 16.747 55.517 3.317 1.00 59.86 ? 190 PRO B O 1 ATOM 3161 C CB . PRO B 1 190 ? 16.012 58.880 4.235 1.00 49.37 ? 190 PRO B CB 1 ATOM 3162 C CG . PRO B 1 190 ? 15.142 59.969 3.690 1.00 45.92 ? 190 PRO B CG 1 ATOM 3163 C CD . PRO B 1 190 ? 13.976 59.199 3.169 1.00 46.75 ? 190 PRO B CD 1 ATOM 3164 N N . ILE B 1 191 ? 15.261 56.206 4.881 1.00 57.71 ? 191 ILE B N 1 ATOM 3165 C CA . ILE B 1 191 ? 15.207 54.981 5.687 1.00 58.07 ? 191 ILE B CA 1 ATOM 3166 C C . ILE B 1 191 ? 14.434 53.769 5.145 1.00 56.05 ? 191 ILE B C 1 ATOM 3167 O O . ILE B 1 191 ? 15.013 52.707 4.917 1.00 61.39 ? 191 ILE B O 1 ATOM 3168 C CB . ILE B 1 191 ? 14.692 55.319 7.100 1.00 61.76 ? 191 ILE B CB 1 ATOM 3169 C CG1 . ILE B 1 191 ? 13.791 56.565 7.069 1.00 71.31 ? 191 ILE B CG1 1 ATOM 3170 C CG2 . ILE B 1 191 ? 15.860 55.627 8.002 1.00 61.99 ? 191 ILE B CG2 1 ATOM 3171 C CD1 . ILE B 1 191 ? 12.632 56.544 6.046 1.00 78.03 ? 191 ILE B CD1 1 ATOM 3172 N N . ASP B 1 192 ? 13.123 53.916 4.991 1.00 53.95 ? 192 ASP B N 1 ATOM 3173 C CA . ASP B 1 192 ? 12.277 52.844 4.485 1.00 50.16 ? 192 ASP B CA 1 ATOM 3174 C C . ASP B 1 192 ? 11.462 53.322 3.286 1.00 49.32 ? 192 ASP B C 1 ATOM 3175 O O . ASP B 1 192 ? 11.564 54.483 2.884 1.00 52.91 ? 192 ASP B O 1 ATOM 3176 C CB . ASP B 1 192 ? 11.356 52.335 5.594 1.00 48.19 ? 192 ASP B CB 1 ATOM 3177 C CG . ASP B 1 192 ? 10.520 53.441 6.219 1.00 49.43 ? 192 ASP B CG 1 ATOM 3178 O OD1 . ASP B 1 192 ? 9.879 54.218 5.484 1.00 43.91 ? 192 ASP B OD1 1 ATOM 3179 O OD2 . ASP B 1 192 ? 10.487 53.524 7.458 1.00 50.08 ? 192 ASP B OD2 1 ATOM 3180 N N . HIS B 1 193 ? 10.604 52.445 2.767 1.00 47.10 ? 193 HIS B N 1 ATOM 3181 C CA . HIS B 1 193 ? 9.775 52.757 1.601 1.00 45.81 ? 193 HIS B CA 1 ATOM 3182 C C . HIS B 1 193 ? 8.430 53.446 1.874 1.00 42.64 ? 193 HIS B C 1 ATOM 3183 O O . HIS B 1 193 ? 7.637 53.642 0.959 1.00 41.78 ? 193 HIS B O 1 ATOM 3184 C CB . HIS B 1 193 ? 9.548 51.482 0.773 1.00 47.14 ? 193 HIS B CB 1 ATOM 3185 C CG . HIS B 1 193 ? 8.753 50.418 1.476 1.00 52.11 ? 193 HIS B CG 1 ATOM 3186 N ND1 . HIS B 1 193 ? 8.463 49.203 0.891 1.00 52.25 ? 193 HIS B ND1 1 ATOM 3187 C CD2 . HIS B 1 193 ? 8.157 50.396 2.694 1.00 52.97 ? 193 HIS B CD2 1 ATOM 3188 C CE1 . HIS B 1 193 ? 7.721 48.483 1.713 1.00 50.37 ? 193 HIS B CE1 1 ATOM 3189 N NE2 . HIS B 1 193 ? 7.520 49.184 2.815 1.00 52.76 ? 193 HIS B NE2 1 ATOM 3190 N N . THR B 1 194 ? 8.194 53.854 3.113 1.00 39.99 ? 194 THR B N 1 ATOM 3191 C CA . THR B 1 194 ? 6.923 54.480 3.472 1.00 37.59 ? 194 THR B CA 1 ATOM 3192 C C . THR B 1 194 ? 7.059 55.945 3.866 1.00 38.42 ? 194 THR B C 1 ATOM 3193 O O . THR B 1 194 ? 6.271 56.789 3.427 1.00 38.36 ? 194 THR B O 1 ATOM 3194 C CB . THR B 1 194 ? 6.271 53.739 4.666 1.00 38.49 ? 194 THR B CB 1 ATOM 3195 O OG1 . THR B 1 194 ? 6.087 52.358 4.339 1.00 43.49 ? 194 THR B OG1 1 ATOM 3196 C CG2 . THR B 1 194 ? 4.936 54.357 5.022 1.00 34.31 ? 194 THR B CG2 1 ATOM 3197 N N . HIS B 1 195 ? 8.046 56.231 4.711 1.00 39.27 ? 195 HIS B N 1 ATOM 3198 C CA . HIS B 1 195 ? 8.261 57.582 5.203 1.00 38.70 ? 195 HIS B CA 1 ATOM 3199 C C . HIS B 1 195 ? 9.102 58.438 4.307 1.00 38.38 ? 195 HIS B C 1 ATOM 3200 O O . HIS B 1 195 ? 10.220 58.082 3.914 1.00 40.70 ? 195 HIS B O 1 ATOM 3201 C CB . HIS B 1 195 ? 8.812 57.559 6.617 1.00 36.83 ? 195 HIS B CB 1 ATOM 3202 C CG . HIS B 1 195 ? 7.985 56.740 7.545 1.00 35.61 ? 195 HIS B CG 1 ATOM 3203 N ND1 . HIS B 1 195 ? 8.333 55.460 7.910 1.00 39.21 ? 195 HIS B ND1 1 ATOM 3204 C CD2 . HIS B 1 195 ? 6.769 56.975 8.092 1.00 34.59 ? 195 HIS B CD2 1 ATOM 3205 C CE1 . HIS B 1 195 ? 7.361 54.936 8.634 1.00 45.04 ? 195 HIS B CE1 1 ATOM 3206 N NE2 . HIS B 1 195 ? 6.400 55.835 8.759 1.00 39.62 ? 195 HIS B NE2 1 ATOM 3207 N N . THR B 1 196 ? 8.540 59.606 4.041 1.00 37.95 ? 196 THR B N 1 ATOM 3208 C CA . THR B 1 196 ? 9.124 60.591 3.160 1.00 35.50 ? 196 THR B CA 1 ATOM 3209 C C . THR B 1 196 ? 9.960 61.652 3.840 1.00 35.08 ? 196 THR B C 1 ATOM 3210 O O . THR B 1 196 ? 9.647 62.085 4.953 1.00 36.26 ? 196 THR B O 1 ATOM 3211 C CB . THR B 1 196 ? 8.018 61.324 2.399 1.00 35.77 ? 196 THR B CB 1 ATOM 3212 O OG1 . THR B 1 196 ? 7.107 61.920 3.336 1.00 32.39 ? 196 THR B OG1 1 ATOM 3213 C CG2 . THR B 1 196 ? 7.257 60.359 1.506 1.00 36.86 ? 196 THR B CG2 1 ATOM 3214 N N . SER B 1 197 ? 11.000 62.095 3.135 1.00 32.67 ? 197 SER B N 1 ATOM 3215 C CA . SER B 1 197 ? 11.878 63.153 3.621 1.00 34.86 ? 197 SER B CA 1 ATOM 3216 C C . SER B 1 197 ? 11.055 64.446 3.504 1.00 36.20 ? 197 SER B C 1 ATOM 3217 O O . SER B 1 197 ? 9.981 64.444 2.901 1.00 35.70 ? 197 SER B O 1 ATOM 3218 C CB . SER B 1 197 ? 13.160 63.225 2.770 1.00 38.29 ? 197 SER B CB 1 ATOM 3219 O OG . SER B 1 197 ? 12.904 63.632 1.432 1.00 41.11 ? 197 SER B OG 1 ATOM 3220 N N . PRO B 1 198 ? 11.527 65.562 4.087 1.00 40.64 ? 198 PRO B N 1 ATOM 3221 C CA . PRO B 1 198 ? 10.743 66.798 3.981 1.00 41.99 ? 198 PRO B CA 1 ATOM 3222 C C . PRO B 1 198 ? 10.463 67.168 2.530 1.00 42.58 ? 198 PRO B C 1 ATOM 3223 O O . PRO B 1 198 ? 9.347 67.545 2.187 1.00 42.73 ? 198 PRO B O 1 ATOM 3224 C CB . PRO B 1 198 ? 11.641 67.830 4.658 1.00 41.35 ? 198 PRO B CB 1 ATOM 3225 C CG . PRO B 1 198 ? 12.379 67.010 5.670 1.00 38.55 ? 198 PRO B CG 1 ATOM 3226 C CD . PRO B 1 198 ? 12.749 65.787 4.875 1.00 38.83 ? 198 PRO B CD 1 ATOM 3227 N N . ALA B 1 199 ? 11.478 67.034 1.680 1.00 41.65 ? 199 ALA B N 1 ATOM 3228 C CA . ALA B 1 199 ? 11.338 67.334 0.260 1.00 37.83 ? 199 ALA B CA 1 ATOM 3229 C C . ALA B 1 199 ? 10.209 66.487 -0.321 1.00 37.74 ? 199 ALA B C 1 ATOM 3230 O O . ALA B 1 199 ? 9.355 66.989 -1.051 1.00 37.68 ? 199 ALA B O 1 ATOM 3231 C CB . ALA B 1 199 ? 12.638 67.043 -0.461 1.00 38.31 ? 199 ALA B CB 1 ATOM 3232 N N . GLY B 1 200 ? 10.193 65.205 0.032 1.00 34.15 ? 200 GLY B N 1 ATOM 3233 C CA . GLY B 1 200 ? 9.147 64.322 -0.454 1.00 30.08 ? 200 GLY B CA 1 ATOM 3234 C C . GLY B 1 200 ? 7.779 64.663 0.110 1.00 32.70 ? 200 GLY B C 1 ATOM 3235 O O . GLY B 1 200 ? 6.783 64.663 -0.618 1.00 36.44 ? 200 GLY B O 1 ATOM 3236 N N . ALA B 1 201 ? 7.728 64.971 1.404 1.00 34.50 ? 201 ALA B N 1 ATOM 3237 C CA . ALA B 1 201 ? 6.471 65.313 2.075 1.00 36.47 ? 201 ALA B CA 1 ATOM 3238 C C . ALA B 1 201 ? 5.792 66.476 1.365 1.00 39.08 ? 201 ALA B C 1 ATOM 3239 O O . ALA B 1 201 ? 4.560 66.526 1.222 1.00 37.54 ? 201 ALA B O 1 ATOM 3240 C CB . ALA B 1 201 ? 6.733 65.669 3.526 1.00 30.44 ? 201 ALA B CB 1 ATOM 3241 N N . GLU B 1 202 ? 6.611 67.414 0.909 1.00 38.30 ? 202 GLU B N 1 ATOM 3242 C CA . GLU B 1 202 ? 6.101 68.571 0.203 1.00 38.93 ? 202 GLU B CA 1 ATOM 3243 C C . GLU B 1 202 ? 5.430 68.172 -1.098 1.00 40.37 ? 202 GLU B C 1 ATOM 3244 O O . GLU B 1 202 ? 4.298 68.574 -1.353 1.00 41.13 ? 202 GLU B O 1 ATOM 3245 C CB . GLU B 1 202 ? 7.219 69.547 -0.094 1.00 42.66 ? 202 GLU B CB 1 ATOM 3246 C CG . GLU B 1 202 ? 6.745 70.703 -0.914 1.00 45.82 ? 202 GLU B CG 1 ATOM 3247 C CD . GLU B 1 202 ? 7.867 71.612 -1.281 1.00 49.58 ? 202 GLU B CD 1 ATOM 3248 O OE1 . GLU B 1 202 ? 8.645 71.270 -2.198 1.00 51.36 ? 202 GLU B OE1 1 ATOM 3249 O OE2 . GLU B 1 202 ? 7.981 72.668 -0.636 1.00 52.41 ? 202 GLU B OE2 1 ATOM 3250 N N . VAL B 1 203 ? 6.137 67.387 -1.912 1.00 40.13 ? 203 VAL B N 1 ATOM 3251 C CA . VAL B 1 203 ? 5.626 66.910 -3.197 1.00 34.15 ? 203 VAL B CA 1 ATOM 3252 C C . VAL B 1 203 ? 4.298 66.188 -3.015 1.00 34.36 ? 203 VAL B C 1 ATOM 3253 O O . VAL B 1 203 ? 3.334 66.436 -3.751 1.00 33.31 ? 203 VAL B O 1 ATOM 3254 C CB . VAL B 1 203 ? 6.628 65.962 -3.851 1.00 33.41 ? 203 VAL B CB 1 ATOM 3255 C CG1 . VAL B 1 203 ? 5.996 65.234 -5.010 1.00 29.37 ? 203 VAL B CG1 1 ATOM 3256 C CG2 . VAL B 1 203 ? 7.840 66.745 -4.320 1.00 30.11 ? 203 VAL B CG2 1 ATOM 3257 N N . VAL B 1 204 ? 4.251 65.313 -2.012 1.00 30.84 ? 204 VAL B N 1 ATOM 3258 C CA . VAL B 1 204 ? 3.046 64.557 -1.701 1.00 29.49 ? 204 VAL B CA 1 ATOM 3259 C C . VAL B 1 204 ? 1.922 65.517 -1.322 1.00 30.66 ? 204 VAL B C 1 ATOM 3260 O O . VAL B 1 204 ? 0.761 65.278 -1.660 1.00 32.15 ? 204 VAL B O 1 ATOM 3261 C CB . VAL B 1 204 ? 3.309 63.542 -0.571 1.00 24.38 ? 204 VAL B CB 1 ATOM 3262 C CG1 . VAL B 1 204 ? 2.029 62.884 -0.132 1.00 23.44 ? 204 VAL B CG1 1 ATOM 3263 C CG2 . VAL B 1 204 ? 4.278 62.491 -1.041 1.00 23.06 ? 204 VAL B CG2 1 ATOM 3264 N N . ALA B 1 205 ? 2.271 66.612 -0.648 1.00 30.51 ? 205 ALA B N 1 ATOM 3265 C CA . ALA B 1 205 ? 1.292 67.619 -0.248 1.00 30.59 ? 205 ALA B CA 1 ATOM 3266 C C . ALA B 1 205 ? 0.763 68.366 -1.484 1.00 38.63 ? 205 ALA B C 1 ATOM 3267 O O . ALA B 1 205 ? -0.449 68.585 -1.625 1.00 36.15 ? 205 ALA B O 1 ATOM 3268 C CB . ALA B 1 205 ? 1.913 68.593 0.724 1.00 29.12 ? 205 ALA B CB 1 ATOM 3269 N N . GLU B 1 206 ? 1.672 68.748 -2.385 1.00 41.84 ? 206 GLU B N 1 ATOM 3270 C CA . GLU B 1 206 ? 1.286 69.461 -3.603 1.00 40.72 ? 206 GLU B CA 1 ATOM 3271 C C . GLU B 1 206 ? 0.390 68.556 -4.439 1.00 39.47 ? 206 GLU B C 1 ATOM 3272 O O . GLU B 1 206 ? -0.579 69.012 -5.031 1.00 38.15 ? 206 GLU B O 1 ATOM 3273 C CB . GLU B 1 206 ? 2.521 69.875 -4.399 1.00 41.55 ? 206 GLU B CB 1 ATOM 3274 C CG . GLU B 1 206 ? 3.571 70.584 -3.557 1.00 51.38 ? 206 GLU B CG 1 ATOM 3275 C CD . GLU B 1 206 ? 3.860 72.002 -4.009 1.00 56.84 ? 206 GLU B CD 1 ATOM 3276 O OE1 . GLU B 1 206 ? 3.909 72.907 -3.137 1.00 59.20 ? 206 GLU B OE1 1 ATOM 3277 O OE2 . GLU B 1 206 ? 4.058 72.208 -5.232 1.00 67.35 ? 206 GLU B OE2 1 ATOM 3278 N N . ALA B 1 207 ? 0.688 67.261 -4.420 1.00 36.18 ? 207 ALA B N 1 ATOM 3279 C CA . ALA B 1 207 ? -0.086 66.274 -5.155 1.00 34.70 ? 207 ALA B CA 1 ATOM 3280 C C . ALA B 1 207 ? -1.545 66.298 -4.713 1.00 37.25 ? 207 ALA B C 1 ATOM 3281 O O . ALA B 1 207 ? -2.456 66.177 -5.537 1.00 44.82 ? 207 ALA B O 1 ATOM 3282 C CB . ALA B 1 207 ? 0.500 64.901 -4.937 1.00 38.16 ? 207 ALA B CB 1 ATOM 3283 N N . PHE B 1 208 ? -1.758 66.463 -3.410 1.00 34.53 ? 208 PHE B N 1 ATOM 3284 C CA . PHE B 1 208 ? -3.102 66.518 -2.841 1.00 31.21 ? 208 PHE B CA 1 ATOM 3285 C C . PHE B 1 208 ? -3.855 67.747 -3.344 1.00 32.57 ? 208 PHE B C 1 ATOM 3286 O O . PHE B 1 208 ? -5.024 67.666 -3.735 1.00 29.01 ? 208 PHE B O 1 ATOM 3287 C CB . PHE B 1 208 ? -3.023 66.558 -1.310 1.00 32.16 ? 208 PHE B CB 1 ATOM 3288 C CG . PHE B 1 208 ? -4.366 66.601 -0.637 1.00 32.63 ? 208 PHE B CG 1 ATOM 3289 C CD1 . PHE B 1 208 ? -5.157 65.460 -0.575 1.00 25.39 ? 208 PHE B CD1 1 ATOM 3290 C CD2 . PHE B 1 208 ? -4.851 67.790 -0.087 1.00 32.66 ? 208 PHE B CD2 1 ATOM 3291 C CE1 . PHE B 1 208 ? -6.412 65.495 0.022 1.00 27.65 ? 208 PHE B CE1 1 ATOM 3292 C CE2 . PHE B 1 208 ? -6.108 67.840 0.513 1.00 30.29 ? 208 PHE B CE2 1 ATOM 3293 C CZ . PHE B 1 208 ? -6.892 66.687 0.566 1.00 31.02 ? 208 PHE B CZ 1 ATOM 3294 N N . LEU B 1 209 ? -3.182 68.890 -3.309 1.00 33.32 ? 209 LEU B N 1 ATOM 3295 C CA . LEU B 1 209 ? -3.785 70.135 -3.755 1.00 35.54 ? 209 LEU B CA 1 ATOM 3296 C C . LEU B 1 209 ? -4.095 70.114 -5.254 1.00 40.21 ? 209 LEU B C 1 ATOM 3297 O O . LEU B 1 209 ? -5.055 70.746 -5.693 1.00 41.03 ? 209 LEU B O 1 ATOM 3298 C CB . LEU B 1 209 ? -2.881 71.311 -3.389 1.00 34.49 ? 209 LEU B CB 1 ATOM 3299 C CG . LEU B 1 209 ? -2.758 71.515 -1.875 1.00 34.97 ? 209 LEU B CG 1 ATOM 3300 C CD1 . LEU B 1 209 ? -1.732 72.579 -1.533 1.00 30.78 ? 209 LEU B CD1 1 ATOM 3301 C CD2 . LEU B 1 209 ? -4.118 71.863 -1.303 1.00 26.82 ? 209 LEU B CD2 1 ATOM 3302 N N . LYS B 1 210 ? -3.293 69.381 -6.030 1.00 40.71 ? 210 LYS B N 1 ATOM 3303 C CA . LYS B 1 210 ? -3.507 69.256 -7.476 1.00 38.07 ? 210 LYS B CA 1 ATOM 3304 C C . LYS B 1 210 ? -4.786 68.449 -7.699 1.00 39.26 ? 210 LYS B C 1 ATOM 3305 O O . LYS B 1 210 ? -5.581 68.747 -8.588 1.00 38.39 ? 210 LYS B O 1 ATOM 3306 C CB . LYS B 1 210 ? -2.321 68.545 -8.134 1.00 33.66 ? 210 LYS B CB 1 ATOM 3307 C CG . LYS B 1 210 ? -2.415 68.430 -9.638 1.00 37.45 ? 210 LYS B CG 1 ATOM 3308 C CD . LYS B 1 210 ? -2.448 69.797 -10.305 1.00 44.09 ? 210 LYS B CD 1 ATOM 3309 C CE . LYS B 1 210 ? -2.459 69.681 -11.828 1.00 44.75 ? 210 LYS B CE 1 ATOM 3310 N NZ . LYS B 1 210 ? -2.399 71.014 -12.522 1.00 48.20 ? 210 LYS B NZ 1 ATOM 3311 N N . ALA B 1 211 ? -4.978 67.435 -6.861 1.00 36.43 ? 211 ALA B N 1 ATOM 3312 C CA . ALA B 1 211 ? -6.154 66.585 -6.928 1.00 34.99 ? 211 ALA B CA 1 ATOM 3313 C C . ALA B 1 211 ? -7.390 67.412 -6.609 1.00 35.32 ? 211 ALA B C 1 ATOM 3314 O O . ALA B 1 211 ? -8.417 67.296 -7.280 1.00 37.14 ? 211 ALA B O 1 ATOM 3315 C CB . ALA B 1 211 ? -6.015 65.441 -5.942 1.00 35.26 ? 211 ALA B CB 1 ATOM 3316 N N . VAL B 1 212 ? -7.264 68.272 -5.601 1.00 37.33 ? 212 VAL B N 1 ATOM 3317 C CA . VAL B 1 212 ? -8.350 69.140 -5.168 1.00 42.61 ? 212 VAL B CA 1 ATOM 3318 C C . VAL B 1 212 ? -8.783 70.096 -6.284 1.00 43.02 ? 212 VAL B C 1 ATOM 3319 O O . VAL B 1 212 ? -9.979 70.279 -6.526 1.00 40.88 ? 212 VAL B O 1 ATOM 3320 C CB . VAL B 1 212 ? -7.948 69.920 -3.878 1.00 41.03 ? 212 VAL B CB 1 ATOM 3321 C CG1 . VAL B 1 212 ? -8.930 71.034 -3.577 1.00 39.48 ? 212 VAL B CG1 1 ATOM 3322 C CG2 . VAL B 1 212 ? -7.905 68.966 -2.708 1.00 37.24 ? 212 VAL B CG2 1 ATOM 3323 N N . VAL B 1 213 ? -7.806 70.684 -6.970 1.00 44.85 ? 213 VAL B N 1 ATOM 3324 C CA . VAL B 1 213 ? -8.070 71.607 -8.068 1.00 41.97 ? 213 VAL B CA 1 ATOM 3325 C C . VAL B 1 213 ? -8.698 70.872 -9.251 1.00 44.75 ? 213 VAL B C 1 ATOM 3326 O O . VAL B 1 213 ? -9.665 71.351 -9.843 1.00 47.05 ? 213 VAL B O 1 ATOM 3327 C CB . VAL B 1 213 ? -6.771 72.284 -8.536 1.00 40.53 ? 213 VAL B CB 1 ATOM 3328 C CG1 . VAL B 1 213 ? -7.021 73.119 -9.778 1.00 43.17 ? 213 VAL B CG1 1 ATOM 3329 C CG2 . VAL B 1 213 ? -6.212 73.150 -7.424 1.00 41.36 ? 213 VAL B CG2 1 ATOM 3330 N N . CYS B 1 214 ? -8.181 69.683 -9.550 1.00 41.59 ? 214 CYS B N 1 ATOM 3331 C CA . CYS B 1 214 ? -8.664 68.883 -10.670 1.00 38.26 ? 214 CYS B CA 1 ATOM 3332 C C . CYS B 1 214 ? -10.011 68.209 -10.497 1.00 41.95 ? 214 CYS B C 1 ATOM 3333 O O . CYS B 1 214 ? -10.756 68.061 -11.464 1.00 44.56 ? 214 CYS B O 1 ATOM 3334 C CB . CYS B 1 214 ? -7.631 67.835 -11.053 1.00 36.34 ? 214 CYS B CB 1 ATOM 3335 S SG . CYS B 1 214 ? -6.082 68.516 -11.720 1.00 45.60 ? 214 CYS B SG 1 ATOM 3336 N N . THR B 1 215 ? -10.321 67.768 -9.285 1.00 45.10 ? 215 THR B N 1 ATOM 3337 C CA . THR B 1 215 ? -11.593 67.090 -9.054 1.00 47.05 ? 215 THR B CA 1 ATOM 3338 C C . THR B 1 215 ? -12.703 68.058 -8.649 1.00 45.56 ? 215 THR B C 1 ATOM 3339 O O . THR B 1 215 ? -13.882 67.699 -8.650 1.00 45.58 ? 215 THR B O 1 ATOM 3340 C CB . THR B 1 215 ? -11.448 65.967 -8.006 1.00 47.39 ? 215 THR B CB 1 ATOM 3341 O OG1 . THR B 1 215 ? -11.245 66.541 -6.711 1.00 60.76 ? 215 THR B OG1 1 ATOM 3342 C CG2 . THR B 1 215 ? -10.247 65.087 -8.339 1.00 46.74 ? 215 THR B CG2 1 ATOM 3343 N N . GLY B 1 216 ? -12.318 69.290 -8.323 1.00 46.72 ? 216 GLY B N 1 ATOM 3344 C CA . GLY B 1 216 ? -13.287 70.298 -7.923 1.00 45.26 ? 216 GLY B CA 1 ATOM 3345 C C . GLY B 1 216 ? -13.783 70.164 -6.494 1.00 46.77 ? 216 GLY B C 1 ATOM 3346 O O . GLY B 1 216 ? -14.906 70.561 -6.187 1.00 47.17 ? 216 GLY B O 1 ATOM 3347 N N . THR B 1 217 ? -12.942 69.612 -5.624 1.00 46.52 ? 217 THR B N 1 ATOM 3348 C CA . THR B 1 217 ? -13.279 69.418 -4.219 1.00 47.24 ? 217 THR B CA 1 ATOM 3349 C C . THR B 1 217 ? -13.591 70.757 -3.546 1.00 48.11 ? 217 THR B C 1 ATOM 3350 O O . THR B 1 217 ? -12.921 71.761 -3.802 1.00 49.23 ? 217 THR B O 1 ATOM 3351 C CB . THR B 1 217 ? -12.124 68.697 -3.491 1.00 46.50 ? 217 THR B CB 1 ATOM 3352 O OG1 . THR B 1 217 ? -11.923 67.414 -4.094 1.00 47.79 ? 217 THR B OG1 1 ATOM 3353 C CG2 . THR B 1 217 ? -12.441 68.499 -2.026 1.00 45.49 ? 217 THR B CG2 1 ATOM 3354 N N . SER B 1 218 ? -14.614 70.763 -2.691 1.00 48.25 ? 218 SER B N 1 ATOM 3355 C CA . SER B 1 218 ? -15.053 71.968 -1.978 1.00 48.17 ? 218 SER B CA 1 ATOM 3356 C C . SER B 1 218 ? -13.931 72.780 -1.318 1.00 49.24 ? 218 SER B C 1 ATOM 3357 O O . SER B 1 218 ? -14.060 73.991 -1.155 1.00 53.36 ? 218 SER B O 1 ATOM 3358 C CB . SER B 1 218 ? -16.111 71.608 -0.926 1.00 47.61 ? 218 SER B CB 1 ATOM 3359 O OG . SER B 1 218 ? -15.544 70.859 0.134 1.00 50.73 ? 218 SER B OG 1 ATOM 3360 N N . LEU B 1 219 ? -12.828 72.117 -0.968 1.00 47.60 ? 219 LEU B N 1 ATOM 3361 C CA . LEU B 1 219 ? -11.685 72.757 -0.315 1.00 43.85 ? 219 LEU B CA 1 ATOM 3362 C C . LEU B 1 219 ? -10.933 73.743 -1.210 1.00 47.07 ? 219 LEU B C 1 ATOM 3363 O O . LEU B 1 219 ? -10.037 74.444 -0.741 1.00 47.75 ? 219 LEU B O 1 ATOM 3364 C CB . LEU B 1 219 ? -10.712 71.694 0.217 1.00 42.11 ? 219 LEU B CB 1 ATOM 3365 C CG . LEU B 1 219 ? -9.484 72.148 1.021 1.00 43.52 ? 219 LEU B CG 1 ATOM 3366 C CD1 . LEU B 1 219 ? -9.921 72.715 2.353 1.00 44.91 ? 219 LEU B CD1 1 ATOM 3367 C CD2 . LEU B 1 219 ? -8.527 70.996 1.251 1.00 38.94 ? 219 LEU B CD2 1 ATOM 3368 N N . LYS B 1 220 ? -11.291 73.810 -2.489 1.00 47.44 ? 220 LYS B N 1 ATOM 3369 C CA . LYS B 1 220 ? -10.617 74.738 -3.393 1.00 53.74 ? 220 LYS B CA 1 ATOM 3370 C C . LYS B 1 220 ? -10.935 76.203 -3.068 1.00 54.30 ? 220 LYS B C 1 ATOM 3371 O O . LYS B 1 220 ? -10.141 77.101 -3.348 1.00 51.12 ? 220 LYS B O 1 ATOM 3372 C CB . LYS B 1 220 ? -10.947 74.405 -4.846 1.00 57.93 ? 220 LYS B CB 1 ATOM 3373 C CG . LYS B 1 220 ? -12.409 74.514 -5.210 1.00 69.80 ? 220 LYS B CG 1 ATOM 3374 C CD . LYS B 1 220 ? -12.659 73.914 -6.593 1.00 80.60 ? 220 LYS B CD 1 ATOM 3375 C CE . LYS B 1 220 ? -11.724 74.503 -7.665 1.00 82.87 ? 220 LYS B CE 1 ATOM 3376 N NZ . LYS B 1 220 ? -12.005 73.957 -9.035 1.00 83.34 ? 220 LYS B NZ 1 ATOM 3377 N N . SER B 1 221 ? -12.075 76.413 -2.414 1.00 55.99 ? 221 SER B N 1 ATOM 3378 C CA . SER B 1 221 ? -12.539 77.737 -2.006 1.00 55.07 ? 221 SER B CA 1 ATOM 3379 C C . SER B 1 221 ? -11.527 78.486 -1.136 1.00 55.00 ? 221 SER B C 1 ATOM 3380 O O . SER B 1 221 ? -11.457 79.713 -1.183 1.00 57.35 ? 221 SER B O 1 ATOM 3381 C CB . SER B 1 221 ? -13.848 77.608 -1.225 1.00 55.75 ? 221 SER B CB 1 ATOM 3382 O OG . SER B 1 221 ? -14.794 76.842 -1.946 1.00 67.81 ? 221 SER B OG 1 ATOM 3383 N N . VAL B 1 222 ? -10.763 77.751 -0.330 1.00 53.16 ? 222 VAL B N 1 ATOM 3384 C CA . VAL B 1 222 ? -9.774 78.360 0.561 1.00 51.93 ? 222 VAL B CA 1 ATOM 3385 C C . VAL B 1 222 ? -8.324 78.271 0.078 1.00 49.95 ? 222 VAL B C 1 ATOM 3386 O O . VAL B 1 222 ? -7.384 78.519 0.835 1.00 51.85 ? 222 VAL B O 1 ATOM 3387 C CB . VAL B 1 222 ? -9.895 77.807 2.006 1.00 51.34 ? 222 VAL B CB 1 ATOM 3388 C CG1 . VAL B 1 222 ? -11.260 78.169 2.584 1.00 52.82 ? 222 VAL B CG1 1 ATOM 3389 C CG2 . VAL B 1 222 ? -9.696 76.305 2.029 1.00 48.36 ? 222 VAL B CG2 1 ATOM 3390 N N . LEU B 1 223 ? -8.159 77.942 -1.196 1.00 49.34 ? 223 LEU B N 1 ATOM 3391 C CA . LEU B 1 223 ? -6.844 77.834 -1.819 1.00 47.50 ? 223 LEU B CA 1 ATOM 3392 C C . LEU B 1 223 ? -6.363 79.234 -2.172 1.00 48.72 ? 223 LEU B C 1 ATOM 3393 O O . LEU B 1 223 ? -7.134 80.030 -2.700 1.00 52.07 ? 223 LEU B O 1 ATOM 3394 C CB . LEU B 1 223 ? -6.978 77.018 -3.100 1.00 48.29 ? 223 LEU B CB 1 ATOM 3395 C CG . LEU B 1 223 ? -6.194 75.721 -3.253 1.00 50.21 ? 223 LEU B CG 1 ATOM 3396 C CD1 . LEU B 1 223 ? -6.247 74.924 -1.990 1.00 55.32 ? 223 LEU B CD1 1 ATOM 3397 C CD2 . LEU B 1 223 ? -6.788 74.931 -4.395 1.00 52.53 ? 223 LEU B CD2 1 ATOM 3398 N N . THR B 1 224 ? -5.104 79.544 -1.883 1.00 47.69 ? 224 THR B N 1 ATOM 3399 C CA . THR B 1 224 ? -4.579 80.869 -2.211 1.00 52.78 ? 224 THR B CA 1 ATOM 3400 C C . THR B 1 224 ? -3.969 80.926 -3.622 1.00 56.92 ? 224 THR B C 1 ATOM 3401 O O . THR B 1 224 ? -3.663 82.007 -4.135 1.00 61.20 ? 224 THR B O 1 ATOM 3402 C CB . THR B 1 224 ? -3.521 81.344 -1.200 1.00 53.24 ? 224 THR B CB 1 ATOM 3403 O OG1 . THR B 1 224 ? -2.354 80.523 -1.308 1.00 58.23 ? 224 THR B OG1 1 ATOM 3404 C CG2 . THR B 1 224 ? -4.060 81.280 0.212 1.00 52.90 ? 224 THR B CG2 1 ATOM 3405 N N . THR B 1 225 ? -3.783 79.762 -4.237 1.00 56.66 ? 225 THR B N 1 ATOM 3406 C CA . THR B 1 225 ? -3.214 79.673 -5.581 1.00 57.56 ? 225 THR B CA 1 ATOM 3407 C C . THR B 1 225 ? -3.582 78.328 -6.180 1.00 58.30 ? 225 THR B C 1 ATOM 3408 O O . THR B 1 225 ? -3.869 77.383 -5.450 1.00 59.93 ? 225 THR B O 1 ATOM 3409 C CB . THR B 1 225 ? -1.674 79.791 -5.567 1.00 57.60 ? 225 THR B CB 1 ATOM 3410 O OG1 . THR B 1 225 ? -1.166 79.633 -6.899 1.00 59.93 ? 225 THR B OG1 1 ATOM 3411 C CG2 . THR B 1 225 ? -1.072 78.721 -4.676 1.00 55.70 ? 225 THR B CG2 1 ATOM 3412 N N . THR B 1 226 ? -3.556 78.239 -7.507 1.00 57.54 ? 226 THR B N 1 ATOM 3413 C CA . THR B 1 226 ? -3.906 77.001 -8.196 1.00 57.82 ? 226 THR B CA 1 ATOM 3414 C C . THR B 1 226 ? -2.777 76.583 -9.129 1.00 59.42 ? 226 THR B C 1 ATOM 3415 O O . THR B 1 226 ? -2.993 75.823 -10.075 1.00 67.08 ? 226 THR B O 1 ATOM 3416 C CB . THR B 1 226 ? -5.206 77.165 -9.026 1.00 60.00 ? 226 THR B CB 1 ATOM 3417 O OG1 . THR B 1 226 ? -5.052 78.247 -9.951 1.00 67.27 ? 226 THR B OG1 1 ATOM 3418 C CG2 . THR B 1 226 ? -6.400 77.444 -8.121 1.00 61.04 ? 226 THR B CG2 1 ATOM 3419 N N . SER B 1 227 ? -1.567 77.053 -8.841 1.00 58.89 ? 227 SER B N 1 ATOM 3420 C CA . SER B 1 227 ? -0.405 76.755 -9.674 1.00 58.06 ? 227 SER B CA 1 ATOM 3421 C C . SER B 1 227 ? 0.443 75.613 -9.135 1.00 52.96 ? 227 SER B C 1 ATOM 3422 O O . SER B 1 227 ? 1.526 75.838 -8.598 1.00 48.27 ? 227 SER B O 1 ATOM 3423 C CB . SER B 1 227 ? 0.451 78.011 -9.829 1.00 62.57 ? 227 SER B CB 1 ATOM 3424 O OG . SER B 1 227 ? -0.336 79.100 -10.286 1.00 77.77 ? 227 SER B OG 1 ATOM 3425 N N . PHE B 1 228 ? -0.036 74.385 -9.335 1.00 49.89 ? 228 PHE B N 1 ATOM 3426 C CA . PHE B 1 228 ? 0.660 73.182 -8.861 1.00 45.83 ? 228 PHE B CA 1 ATOM 3427 C C . PHE B 1 228 ? 1.106 72.261 -9.995 1.00 45.25 ? 228 PHE B C 1 ATOM 3428 O O . PHE B 1 228 ? 0.437 72.159 -11.021 1.00 46.91 ? 228 PHE B O 1 ATOM 3429 C CB . PHE B 1 228 ? -0.240 72.393 -7.897 1.00 44.44 ? 228 PHE B CB 1 ATOM 3430 C CG . PHE B 1 228 ? -0.758 73.204 -6.746 1.00 39.50 ? 228 PHE B CG 1 ATOM 3431 C CD1 . PHE B 1 228 ? -2.098 73.572 -6.686 1.00 40.50 ? 228 PHE B CD1 1 ATOM 3432 C CD2 . PHE B 1 228 ? 0.101 73.633 -5.742 1.00 36.86 ? 228 PHE B CD2 1 ATOM 3433 C CE1 . PHE B 1 228 ? -2.574 74.359 -5.645 1.00 42.10 ? 228 PHE B CE1 1 ATOM 3434 C CE2 . PHE B 1 228 ? -0.361 74.416 -4.703 1.00 36.76 ? 228 PHE B CE2 1 ATOM 3435 C CZ . PHE B 1 228 ? -1.704 74.784 -4.652 1.00 39.51 ? 228 PHE B CZ 1 ATOM 3436 N N . GLU B 1 229 ? 2.195 71.532 -9.764 1.00 45.75 ? 229 GLU B N 1 ATOM 3437 C CA . GLU B 1 229 ? 2.754 70.616 -10.760 1.00 50.00 ? 229 GLU B CA 1 ATOM 3438 C C . GLU B 1 229 ? 1.847 69.466 -11.206 1.00 51.01 ? 229 GLU B C 1 ATOM 3439 O O . GLU B 1 229 ? 0.858 69.149 -10.553 1.00 55.05 ? 229 GLU B O 1 ATOM 3440 C CB . GLU B 1 229 ? 4.076 70.040 -10.263 1.00 52.45 ? 229 GLU B CB 1 ATOM 3441 C CG . GLU B 1 229 ? 3.933 69.060 -9.113 1.00 64.76 ? 229 GLU B CG 1 ATOM 3442 C CD . GLU B 1 229 ? 5.172 68.203 -8.912 1.00 65.57 ? 229 GLU B CD 1 ATOM 3443 O OE1 . GLU B 1 229 ? 6.000 68.105 -9.850 1.00 69.25 ? 229 GLU B OE1 1 ATOM 3444 O OE2 . GLU B 1 229 ? 5.311 67.617 -7.817 1.00 61.92 ? 229 GLU B OE2 1 ATOM 3445 N N . GLY B 1 230 ? 2.215 68.839 -12.323 1.00 56.99 ? 230 GLY B N 1 ATOM 3446 C CA . GLY B 1 230 ? 1.454 67.724 -12.859 1.00 55.04 ? 230 GLY B CA 1 ATOM 3447 C C . GLY B 1 230 ? 0.256 68.145 -13.686 1.00 56.78 ? 230 GLY B C 1 ATOM 3448 O O . GLY B 1 230 ? 0.080 69.328 -13.994 1.00 58.08 ? 230 GLY B O 1 ATOM 3449 N N . THR B 1 231 ? -0.561 67.167 -14.064 1.00 54.78 ? 231 THR B N 1 ATOM 3450 C CA . THR B 1 231 ? -1.763 67.424 -14.852 1.00 55.35 ? 231 THR B CA 1 ATOM 3451 C C . THR B 1 231 ? -2.914 66.671 -14.215 1.00 54.48 ? 231 THR B C 1 ATOM 3452 O O . THR B 1 231 ? -2.695 65.772 -13.397 1.00 51.20 ? 231 THR B O 1 ATOM 3453 C CB . THR B 1 231 ? -1.634 66.939 -16.315 1.00 58.08 ? 231 THR B CB 1 ATOM 3454 O OG1 . THR B 1 231 ? -1.700 65.507 -16.350 1.00 49.48 ? 231 THR B OG1 1 ATOM 3455 C CG2 . THR B 1 231 ? -0.313 67.422 -16.945 1.00 60.43 ? 231 THR B CG2 1 ATOM 3456 N N . CYS B 1 232 ? -4.135 67.008 -14.628 1.00 51.73 ? 232 CYS B N 1 ATOM 3457 C CA . CYS B 1 232 ? -5.324 66.374 -14.080 1.00 49.07 ? 232 CYS B CA 1 ATOM 3458 C C . CYS B 1 232 ? -5.490 64.908 -14.436 1.00 51.27 ? 232 CYS B C 1 ATOM 3459 O O . CYS B 1 232 ? -5.178 64.480 -15.544 1.00 44.24 ? 232 CYS B O 1 ATOM 3460 C CB . CYS B 1 232 ? -6.563 67.177 -14.419 1.00 45.99 ? 232 CYS B CB 1 ATOM 3461 S SG . CYS B 1 232 ? -6.481 68.840 -13.690 1.00 49.58 ? 232 CYS B SG 1 ATOM 3462 N N . LEU B 1 233 ? -5.993 64.164 -13.452 1.00 58.94 ? 233 LEU B N 1 ATOM 3463 C CA . LEU B 1 233 ? -6.191 62.718 -13.498 1.00 62.26 ? 233 LEU B CA 1 ATOM 3464 C C . LEU B 1 233 ? -4.844 62.023 -13.226 1.00 65.48 ? 233 LEU B C 1 ATOM 3465 O O . LEU B 1 233 ? -3.936 62.129 -14.079 1.00 65.74 ? 233 LEU B O 1 ATOM 3466 C CB . LEU B 1 233 ? -6.797 62.256 -14.824 1.00 59.29 ? 233 LEU B CB 1 ATOM 3467 C CG . LEU B 1 233 ? -8.243 62.644 -15.124 1.00 65.53 ? 233 LEU B CG 1 ATOM 3468 C CD1 . LEU B 1 233 ? -8.710 61.838 -16.340 1.00 70.62 ? 233 LEU B CD1 1 ATOM 3469 C CD2 . LEU B 1 233 ? -9.148 62.360 -13.928 1.00 64.50 ? 233 LEU B CD2 1 ATOM 3470 O OXT . LEU B 1 233 ? -4.679 61.436 -12.129 1.00 59.64 ? 233 LEU B OXT 1 HETATM 3471 C C1 . NAG C 2 . ? 16.607 49.688 13.748 1.00 59.35 ? 301 NAG A C1 1 HETATM 3472 C C2 . NAG C 2 . ? 16.968 50.003 12.260 1.00 64.23 ? 301 NAG A C2 1 HETATM 3473 C C3 . NAG C 2 . ? 15.908 49.426 11.273 1.00 67.03 ? 301 NAG A C3 1 HETATM 3474 C C4 . NAG C 2 . ? 15.575 47.956 11.596 1.00 68.34 ? 301 NAG A C4 1 HETATM 3475 C C5 . NAG C 2 . ? 15.131 47.917 13.065 1.00 63.00 ? 301 NAG A C5 1 HETATM 3476 C C6 . NAG C 2 . ? 14.669 46.539 13.524 1.00 61.26 ? 301 NAG A C6 1 HETATM 3477 C C7 . NAG C 2 . ? 18.197 52.108 12.072 1.00 60.48 ? 301 NAG A C7 1 HETATM 3478 C C8 . NAG C 2 . ? 18.133 53.623 11.827 1.00 56.39 ? 301 NAG A C8 1 HETATM 3479 N N2 . NAG C 2 . ? 17.027 51.448 12.039 1.00 60.18 ? 301 NAG A N2 1 HETATM 3480 O O3 . NAG C 2 . ? 16.402 49.517 9.922 1.00 71.45 ? 301 NAG A O3 1 HETATM 3481 O O4 . NAG C 2 . ? 14.538 47.449 10.718 1.00 60.06 ? 301 NAG A O4 1 HETATM 3482 O O5 . NAG C 2 . ? 16.257 48.294 13.898 1.00 56.87 ? 301 NAG A O5 1 HETATM 3483 O O6 . NAG C 2 . ? 15.772 45.775 14.029 1.00 64.70 ? 301 NAG A O6 1 HETATM 3484 O O7 . NAG C 2 . ? 19.307 51.558 12.311 1.00 60.49 ? 301 NAG A O7 1 HETATM 3485 C C1 . NAG D 2 . ? -23.917 62.901 37.024 1.00 63.19 ? 302 NAG A C1 1 HETATM 3486 C C2 . NAG D 2 . ? -24.774 63.683 36.015 1.00 59.99 ? 302 NAG A C2 1 HETATM 3487 C C3 . NAG D 2 . ? -24.452 65.184 36.022 1.00 56.87 ? 302 NAG A C3 1 HETATM 3488 C C4 . NAG D 2 . ? -24.540 65.737 37.436 1.00 58.05 ? 302 NAG A C4 1 HETATM 3489 C C5 . NAG D 2 . ? -23.562 64.954 38.299 1.00 57.86 ? 302 NAG A C5 1 HETATM 3490 C C6 . NAG D 2 . ? -23.549 65.478 39.728 1.00 56.20 ? 302 NAG A C6 1 HETATM 3491 C C7 . NAG D 2 . ? -25.600 62.827 33.911 1.00 66.36 ? 302 NAG A C7 1 HETATM 3492 C C8 . NAG D 2 . ? -25.298 62.325 32.492 1.00 66.29 ? 302 NAG A C8 1 HETATM 3493 N N2 . NAG D 2 . ? -24.551 63.179 34.666 1.00 64.31 ? 302 NAG A N2 1 HETATM 3494 O O3 . NAG D 2 . ? -25.395 65.877 35.199 1.00 52.99 ? 302 NAG A O3 1 HETATM 3495 O O4 . NAG D 2 . ? -24.212 67.137 37.431 1.00 56.79 ? 302 NAG A O4 1 HETATM 3496 O O5 . NAG D 2 . ? -23.962 63.543 38.336 1.00 62.69 ? 302 NAG A O5 1 HETATM 3497 O O6 . NAG D 2 . ? -24.303 64.621 40.600 1.00 59.57 ? 302 NAG A O6 1 HETATM 3498 O O7 . NAG D 2 . ? -26.788 62.839 34.333 1.00 63.12 ? 302 NAG A O7 1 HETATM 3499 C C1 . NAG E 2 . ? 17.952 54.224 -8.856 1.00 70.37 ? 301 NAG B C1 1 HETATM 3500 C C2 . NAG E 2 . ? 19.163 53.420 -9.444 1.00 73.86 ? 301 NAG B C2 1 HETATM 3501 C C3 . NAG E 2 . ? 20.081 52.871 -8.290 1.00 75.44 ? 301 NAG B C3 1 HETATM 3502 C C4 . NAG E 2 . ? 20.448 53.980 -7.296 1.00 75.76 ? 301 NAG B C4 1 HETATM 3503 C C5 . NAG E 2 . ? 19.135 54.580 -6.775 1.00 73.31 ? 301 NAG B C5 1 HETATM 3504 C C6 . NAG E 2 . ? 19.327 55.641 -5.677 1.00 71.57 ? 301 NAG B C6 1 HETATM 3505 C C7 . NAG E 2 . ? 18.512 52.347 -11.533 1.00 63.95 ? 301 NAG B C7 1 HETATM 3506 C C8 . NAG E 2 . ? 17.987 51.063 -12.217 1.00 53.62 ? 301 NAG B C8 1 HETATM 3507 N N2 . NAG E 2 . ? 18.673 52.274 -10.208 1.00 71.10 ? 301 NAG B N2 1 HETATM 3508 O O3 . NAG E 2 . ? 21.286 52.307 -8.834 1.00 72.20 ? 301 NAG B O3 1 HETATM 3509 O O4 . NAG E 2 . ? 21.241 53.437 -6.216 1.00 69.51 ? 301 NAG B O4 1 HETATM 3510 O O5 . NAG E 2 . ? 18.423 55.206 -7.884 1.00 69.23 ? 301 NAG B O5 1 HETATM 3511 O O6 . NAG E 2 . ? 19.444 56.953 -6.248 1.00 66.46 ? 301 NAG B O6 1 HETATM 3512 O O7 . NAG E 2 . ? 18.756 53.387 -12.203 1.00 53.54 ? 301 NAG B O7 1 HETATM 3513 C C1 . NAG F 2 . ? -15.722 38.271 22.304 1.00 54.11 ? 302 NAG B C1 1 HETATM 3514 C C2 . NAG F 2 . ? -15.374 36.815 22.645 1.00 51.56 ? 302 NAG B C2 1 HETATM 3515 C C3 . NAG F 2 . ? -16.017 35.846 21.663 1.00 52.37 ? 302 NAG B C3 1 HETATM 3516 C C4 . NAG F 2 . ? -17.511 36.104 21.562 1.00 50.35 ? 302 NAG B C4 1 HETATM 3517 C C5 . NAG F 2 . ? -17.708 37.551 21.129 1.00 52.26 ? 302 NAG B C5 1 HETATM 3518 C C6 . NAG F 2 . ? -19.186 37.895 20.997 1.00 53.24 ? 302 NAG B C6 1 HETATM 3519 C C7 . NAG F 2 . ? -13.312 36.003 23.587 1.00 63.53 ? 302 NAG B C7 1 HETATM 3520 C C8 . NAG F 2 . ? -11.793 35.799 23.457 1.00 65.22 ? 302 NAG B C8 1 HETATM 3521 N N2 . NAG F 2 . ? -13.940 36.612 22.577 1.00 56.13 ? 302 NAG B N2 1 HETATM 3522 O O3 . NAG F 2 . ? -15.800 34.511 22.110 1.00 50.14 ? 302 NAG B O3 1 HETATM 3523 O O4 . NAG F 2 . ? -18.086 35.206 20.607 1.00 53.17 ? 302 NAG B O4 1 HETATM 3524 O O5 . NAG F 2 . ? -17.151 38.435 22.138 1.00 54.49 ? 302 NAG B O5 1 HETATM 3525 O O6 . NAG F 2 . ? -19.640 38.653 22.132 1.00 56.86 ? 302 NAG B O6 1 HETATM 3526 O O7 . NAG F 2 . ? -13.897 35.666 24.644 1.00 63.98 ? 302 NAG B O7 1 HETATM 3527 O O . HOH G 3 . ? 0.411 53.450 25.963 1.00 24.98 ? 303 HOH A O 1 HETATM 3528 O O . HOH G 3 . ? 19.613 48.314 34.457 1.00 29.03 ? 304 HOH A O 1 HETATM 3529 O O . HOH G 3 . ? -0.144 54.298 23.319 1.00 31.15 ? 305 HOH A O 1 HETATM 3530 O O . HOH G 3 . ? 3.991 43.409 28.190 1.00 30.47 ? 306 HOH A O 1 HETATM 3531 O O . HOH G 3 . ? -10.623 48.899 44.688 1.00 35.87 ? 307 HOH A O 1 HETATM 3532 O O . HOH G 3 . ? -1.779 66.449 29.327 1.00 34.04 ? 308 HOH A O 1 HETATM 3533 O O . HOH G 3 . ? 1.698 51.867 33.243 1.00 33.22 ? 309 HOH A O 1 HETATM 3534 O O . HOH G 3 . ? -2.445 51.676 33.057 1.00 31.13 ? 310 HOH A O 1 HETATM 3535 O O . HOH G 3 . ? -6.757 42.610 42.776 1.00 42.98 ? 311 HOH A O 1 HETATM 3536 O O . HOH G 3 . ? -8.112 54.403 44.002 1.00 31.58 ? 312 HOH A O 1 HETATM 3537 O O . HOH G 3 . ? 11.095 57.519 25.993 1.00 36.18 ? 313 HOH A O 1 HETATM 3538 O O . HOH G 3 . ? 26.438 48.059 37.035 1.00 43.74 ? 314 HOH A O 1 HETATM 3539 O O . HOH G 3 . ? 13.591 56.590 41.866 1.00 37.96 ? 315 HOH A O 1 HETATM 3540 O O . HOH G 3 . ? 9.384 49.327 28.200 1.00 33.02 ? 316 HOH A O 1 HETATM 3541 O O . HOH G 3 . ? 4.241 50.422 33.280 1.00 24.66 ? 317 HOH A O 1 HETATM 3542 O O . HOH G 3 . ? -5.993 52.088 27.083 1.00 41.91 ? 318 HOH A O 1 HETATM 3543 O O . HOH G 3 . ? -5.407 63.134 36.075 1.00 30.73 ? 319 HOH A O 1 HETATM 3544 O O . HOH G 3 . ? 7.516 48.810 18.092 1.00 38.32 ? 320 HOH A O 1 HETATM 3545 O O . HOH G 3 . ? -2.077 39.377 30.810 1.00 36.46 ? 321 HOH A O 1 HETATM 3546 O O . HOH G 3 . ? 1.870 48.033 35.488 1.00 26.13 ? 322 HOH A O 1 HETATM 3547 O O . HOH G 3 . ? 3.039 56.472 35.981 1.00 26.76 ? 323 HOH A O 1 HETATM 3548 O O . HOH G 3 . ? 1.975 54.774 38.475 1.00 30.48 ? 324 HOH A O 1 HETATM 3549 O O . HOH G 3 . ? 16.370 39.762 28.436 1.00 33.73 ? 325 HOH A O 1 HETATM 3550 O O . HOH G 3 . ? 2.874 52.587 53.383 1.00 39.79 ? 326 HOH A O 1 HETATM 3551 O O . HOH G 3 . ? -4.004 36.495 43.430 1.00 47.09 ? 327 HOH A O 1 HETATM 3552 O O . HOH G 3 . ? 6.851 48.169 29.295 1.00 34.33 ? 328 HOH A O 1 HETATM 3553 O O . HOH G 3 . ? -10.439 39.000 42.054 1.00 50.86 ? 329 HOH A O 1 HETATM 3554 O O . HOH G 3 . ? -3.092 65.260 44.324 1.00 33.04 ? 330 HOH A O 1 HETATM 3555 O O . HOH G 3 . ? -4.465 38.747 45.557 1.00 39.98 ? 331 HOH A O 1 HETATM 3556 O O . HOH G 3 . ? 1.202 63.016 28.091 1.00 40.52 ? 332 HOH A O 1 HETATM 3557 O O . HOH H 3 . ? 4.635 48.316 4.302 1.00 34.28 ? 303 HOH B O 1 HETATM 3558 O O . HOH H 3 . ? -20.036 34.882 19.305 1.00 35.26 ? 304 HOH B O 1 HETATM 3559 O O . HOH H 3 . ? 6.555 60.649 6.397 1.00 28.57 ? 305 HOH B O 1 HETATM 3560 O O . HOH H 3 . ? 4.115 58.694 -1.219 1.00 30.01 ? 306 HOH B O 1 HETATM 3561 O O . HOH H 3 . ? -19.511 45.887 -2.687 1.00 34.67 ? 307 HOH B O 1 HETATM 3562 O O . HOH H 3 . ? -2.233 59.483 6.489 1.00 22.12 ? 308 HOH B O 1 HETATM 3563 O O . HOH H 3 . ? -7.427 63.653 17.439 1.00 49.47 ? 309 HOH B O 1 HETATM 3564 O O . HOH H 3 . ? -8.515 56.785 3.944 1.00 29.23 ? 310 HOH B O 1 HETATM 3565 O O . HOH H 3 . ? -11.812 46.266 6.080 1.00 26.55 ? 311 HOH B O 1 HETATM 3566 O O . HOH H 3 . ? -1.549 58.142 3.653 1.00 28.85 ? 312 HOH B O 1 HETATM 3567 O O . HOH H 3 . ? -6.941 42.187 0.793 1.00 32.56 ? 313 HOH B O 1 HETATM 3568 O O . HOH H 3 . ? -2.369 56.157 5.254 1.00 36.48 ? 314 HOH B O 1 HETATM 3569 O O . HOH H 3 . ? -12.495 48.988 17.556 1.00 39.02 ? 315 HOH B O 1 HETATM 3570 O O . HOH H 3 . ? -14.907 55.940 13.461 1.00 40.60 ? 316 HOH B O 1 HETATM 3571 O O . HOH H 3 . ? -7.758 44.708 7.625 1.00 34.91 ? 317 HOH B O 1 HETATM 3572 O O . HOH H 3 . ? -13.838 42.220 27.404 1.00 48.76 ? 318 HOH B O 1 HETATM 3573 O O . HOH H 3 . ? 2.519 50.073 4.448 1.00 39.63 ? 319 HOH B O 1 HETATM 3574 O O . HOH H 3 . ? -3.092 42.670 5.115 1.00 39.68 ? 320 HOH B O 1 HETATM 3575 O O . HOH H 3 . ? 2.512 52.074 -6.916 1.00 36.11 ? 321 HOH B O 1 HETATM 3576 O O . HOH H 3 . ? -14.616 75.676 18.082 1.00 33.87 ? 322 HOH B O 1 HETATM 3577 O O . HOH H 3 . ? -12.660 58.288 18.321 1.00 37.15 ? 323 HOH B O 1 HETATM 3578 O O . HOH H 3 . ? 4.024 51.019 13.434 1.00 52.62 ? 324 HOH B O 1 HETATM 3579 O O . HOH H 3 . ? 3.227 61.035 15.491 1.00 42.18 ? 325 HOH B O 1 HETATM 3580 O O . HOH H 3 . ? -2.668 43.163 23.517 1.00 45.15 ? 326 HOH B O 1 HETATM 3581 O O . HOH H 3 . ? -2.256 42.653 13.404 1.00 40.77 ? 327 HOH B O 1 HETATM 3582 O O . HOH H 3 . ? -0.717 71.652 13.331 1.00 47.47 ? 328 HOH B O 1 HETATM 3583 O O . HOH H 3 . ? 10.428 69.036 -2.780 1.00 39.03 ? 329 HOH B O 1 HETATM 3584 O O . HOH H 3 . ? -17.491 32.770 21.061 1.00 41.34 ? 330 HOH B O 1 HETATM 3585 O O . HOH H 3 . ? 2.681 55.013 10.729 1.00 31.20 ? 331 HOH B O 1 # 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 THR 1 1 1 THR THR A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 VAL 3 3 3 VAL VAL A . n A 1 4 TYR 4 4 4 TYR TYR A . n A 1 5 LEU 5 5 5 LEU LEU A . n A 1 6 ALA 6 6 6 ALA ALA A . n A 1 7 GLY 7 7 7 GLY GLY A . n A 1 8 ASP 8 8 8 ASP ASP A . n A 1 9 SER 9 9 9 SER SER A . n A 1 10 THR 10 10 10 THR THR A . n A 1 11 MET 11 11 11 MET MET A . n A 1 12 ALA 12 12 12 ALA ALA A . n A 1 13 LYS 13 13 13 LYS LYS A . n A 1 14 ASN 14 14 14 ASN ASN A . n A 1 15 GLY 15 15 15 GLY GLY A . n A 1 16 GLY 16 16 16 GLY GLY A . n A 1 17 GLY 17 17 17 GLY GLY A . n A 1 18 SER 18 18 18 SER SER A . n A 1 19 GLY 19 19 19 GLY GLY A . n A 1 20 THR 20 20 20 THR THR A . n A 1 21 ASN 21 21 21 ASN ASN A . n A 1 22 GLY 22 22 22 GLY GLY A . n A 1 23 TRP 23 23 23 TRP TRP A . n A 1 24 GLY 24 24 24 GLY GLY A . n A 1 25 GLU 25 25 25 GLU GLU A . n A 1 26 TYR 26 26 26 TYR TYR A . n A 1 27 LEU 27 27 27 LEU LEU A . n A 1 28 ALA 28 28 28 ALA ALA A . n A 1 29 SER 29 29 29 SER SER A . n A 1 30 TYR 30 30 30 TYR TYR A . n A 1 31 LEU 31 31 31 LEU LEU A . n A 1 32 SER 32 32 32 SER SER A . n A 1 33 ALA 33 33 33 ALA ALA A . n A 1 34 THR 34 34 34 THR THR A . n A 1 35 VAL 35 35 35 VAL VAL A . n A 1 36 VAL 36 36 36 VAL VAL A . n A 1 37 ASN 37 37 37 ASN ASN A . n A 1 38 ASP 38 38 38 ASP ASP A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 VAL 40 40 40 VAL VAL A . n A 1 41 ALA 41 41 41 ALA ALA A . n A 1 42 GLY 42 42 42 GLY GLY A . n A 1 43 ARG 43 43 43 ARG ARG A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ALA 45 45 45 ALA ALA A . n A 1 46 ARG 46 46 46 ARG ARG A . n A 1 47 SER 47 47 47 SER SER A . n A 1 48 TYR 48 48 48 TYR TYR A . n A 1 49 THR 49 49 49 THR THR A . n A 1 50 ARG 50 50 50 ARG ARG A . n A 1 51 GLU 51 51 51 GLU GLU A . n A 1 52 GLY 52 52 52 GLY GLY A . n A 1 53 ARG 53 53 53 ARG ARG A . n A 1 54 PHE 54 54 54 PHE PHE A . n A 1 55 GLU 55 55 55 GLU GLU A . n A 1 56 ASN 56 56 56 ASN ASN A . n A 1 57 ILE 57 57 57 ILE ILE A . n A 1 58 ALA 58 58 58 ALA ALA A . n A 1 59 ASP 59 59 59 ASP ASP A . n A 1 60 VAL 60 60 60 VAL VAL A . n A 1 61 VAL 61 61 61 VAL VAL A . n A 1 62 THR 62 62 62 THR THR A . n A 1 63 ALA 63 63 63 ALA ALA A . n A 1 64 GLY 64 64 64 GLY GLY A . n A 1 65 ASP 65 65 65 ASP ASP A . n A 1 66 TYR 66 66 66 TYR TYR A . n A 1 67 VAL 67 67 67 VAL VAL A . n A 1 68 ILE 68 68 68 ILE ILE A . n A 1 69 VAL 69 69 69 VAL VAL A . n A 1 70 GLU 70 70 70 GLU GLU A . n A 1 71 PHE 71 71 71 PHE PHE A . n A 1 72 GLY 72 72 72 GLY GLY A . n A 1 73 HIS 73 73 73 HIS HIS A . n A 1 74 ASN 74 74 74 ASN ASN A . n A 1 75 ASP 75 75 75 ASP ASP A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 GLY 77 77 77 GLY GLY A . n A 1 78 SER 78 78 78 SER SER A . n A 1 79 LEU 79 79 79 LEU LEU A . n A 1 80 SER 80 80 80 SER SER A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 ASP 82 82 82 ASP ASP A . n A 1 83 ASN 83 83 83 ASN ASN A . n A 1 84 GLY 84 84 84 GLY GLY A . n A 1 85 ARG 85 85 85 ARG ARG A . n A 1 86 THR 86 86 86 THR THR A . n A 1 87 ASP 87 87 87 ASP ASP A . n A 1 88 CYS 88 88 88 CYS CYS A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 GLY 90 90 90 GLY GLY A . n A 1 91 THR 91 91 91 THR THR A . n A 1 92 GLY 92 92 92 GLY GLY A . n A 1 93 ALA 93 93 93 ALA ALA A . n A 1 94 GLU 94 94 94 GLU GLU A . n A 1 95 VAL 95 95 95 VAL VAL A . n A 1 96 CYS 96 96 96 CYS CYS A . n A 1 97 TYR 97 97 97 TYR TYR A . n A 1 98 SER 98 98 98 SER SER A . n A 1 99 VAL 99 99 99 VAL VAL A . n A 1 100 TYR 100 100 100 TYR TYR A . n A 1 101 ASP 101 101 101 ASP ASP A . n A 1 102 GLY 102 102 102 GLY GLY A . n A 1 103 VAL 103 103 103 VAL VAL A . n A 1 104 ASN 104 104 104 ASN ASN A . n A 1 105 GLU 105 105 105 GLU GLU A . n A 1 106 THR 106 106 106 THR THR A . n A 1 107 ILE 107 107 107 ILE ILE A . n A 1 108 LEU 108 108 108 LEU LEU A . n A 1 109 THR 109 109 109 THR THR A . n A 1 110 PHE 110 110 110 PHE PHE A . n A 1 111 PRO 111 111 111 PRO PRO A . n A 1 112 ALA 112 112 112 ALA ALA A . n A 1 113 TYR 113 113 113 TYR TYR A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 GLU 115 115 115 GLU GLU A . n A 1 116 ASN 116 116 116 ASN ASN A . n A 1 117 ALA 117 117 117 ALA ALA A . n A 1 118 ALA 118 118 118 ALA ALA A . n A 1 119 LYS 119 119 119 LYS LYS A . n A 1 120 LEU 120 120 120 LEU LEU A . n A 1 121 PHE 121 121 121 PHE PHE A . n A 1 122 THR 122 122 122 THR THR A . n A 1 123 ALA 123 123 123 ALA ALA A . n A 1 124 LYS 124 124 124 LYS LYS A . n A 1 125 GLY 125 125 125 GLY GLY A . n A 1 126 ALA 126 126 126 ALA ALA A . n A 1 127 LYS 127 127 127 LYS LYS A . n A 1 128 VAL 128 128 128 VAL VAL A . n A 1 129 ILE 129 129 129 ILE ILE A . n A 1 130 LEU 130 130 130 LEU LEU A . n A 1 131 SER 131 131 131 SER SER A . n A 1 132 SER 132 132 132 SER SER A . n A 1 133 GLN 133 133 133 GLN GLN A . n A 1 134 THR 134 134 134 THR THR A . n A 1 135 PRO 135 135 135 PRO PRO A . n A 1 136 ASN 136 136 136 ASN ASN A . n A 1 137 ASN 137 137 137 ASN ASN A . n A 1 138 PRO 138 138 138 PRO PRO A . n A 1 139 TRP 139 139 139 TRP TRP A . n A 1 140 GLU 140 140 140 GLU GLU A . n A 1 141 THR 141 141 141 THR THR A . n A 1 142 GLY 142 142 142 GLY GLY A . n A 1 143 THR 143 143 143 THR THR A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 VAL 145 145 145 VAL VAL A . n A 1 146 ASN 146 146 146 ASN ASN A . n A 1 147 SER 147 147 147 SER SER A . n A 1 148 PRO 148 148 148 PRO PRO A . n A 1 149 THR 149 149 149 THR THR A . n A 1 150 ARG 150 150 150 ARG ARG A . n A 1 151 PHE 151 151 151 PHE PHE A . n A 1 152 VAL 152 152 152 VAL VAL A . n A 1 153 GLU 153 153 153 GLU GLU A . n A 1 154 TYR 154 154 154 TYR TYR A . n A 1 155 ALA 155 155 155 ALA ALA A . n A 1 156 GLU 156 156 156 GLU GLU A . n A 1 157 LEU 157 157 157 LEU LEU A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 ALA 159 159 159 ALA ALA A . n A 1 160 GLU 160 160 160 GLU GLU A . n A 1 161 VAL 161 161 161 VAL VAL A . n A 1 162 ALA 162 162 162 ALA ALA A . n A 1 163 GLY 163 163 163 GLY GLY A . n A 1 164 VAL 164 164 164 VAL VAL A . n A 1 165 GLU 165 165 165 GLU GLU A . n A 1 166 TYR 166 166 166 TYR TYR A . n A 1 167 VAL 167 167 167 VAL VAL A . n A 1 168 ASP 168 168 168 ASP ASP A . n A 1 169 HIS 169 169 169 HIS HIS A . n A 1 170 TRP 170 170 170 TRP TRP A . n A 1 171 SER 171 171 171 SER SER A . n A 1 172 TYR 172 172 172 TYR TYR A . n A 1 173 VAL 173 173 173 VAL VAL A . n A 1 174 ASP 174 174 174 ASP ASP A . n A 1 175 SER 175 175 175 SER SER A . n A 1 176 ILE 176 176 176 ILE ILE A . n A 1 177 TYR 177 177 177 TYR TYR A . n A 1 178 GLU 178 178 178 GLU GLU A . n A 1 179 THR 179 179 179 THR THR A . n A 1 180 LEU 180 180 180 LEU LEU A . n A 1 181 GLY 181 181 181 GLY GLY A . n A 1 182 ASN 182 182 182 ASN ASN A . n A 1 183 ALA 183 183 183 ALA ALA A . n A 1 184 THR 184 184 184 THR THR A . n A 1 185 VAL 185 185 185 VAL VAL A . n A 1 186 ASN 186 186 186 ASN ASN A . n A 1 187 SER 187 187 187 SER SER A . n A 1 188 TYR 188 188 188 TYR TYR A . n A 1 189 PHE 189 189 189 PHE PHE A . n A 1 190 PRO 190 190 190 PRO PRO A . n A 1 191 ILE 191 191 191 ILE ILE A . n A 1 192 ASP 192 192 192 ASP ASP A . n A 1 193 HIS 193 193 193 HIS HIS A . n A 1 194 THR 194 194 194 THR THR A . n A 1 195 HIS 195 195 195 HIS HIS A . n A 1 196 THR 196 196 196 THR THR A . n A 1 197 SER 197 197 197 SER SER A . n A 1 198 PRO 198 198 198 PRO PRO A . n A 1 199 ALA 199 199 199 ALA ALA A . n A 1 200 GLY 200 200 200 GLY GLY A . n A 1 201 ALA 201 201 201 ALA ALA A . n A 1 202 GLU 202 202 202 GLU GLU A . n A 1 203 VAL 203 203 203 VAL VAL A . n A 1 204 VAL 204 204 204 VAL VAL A . n A 1 205 ALA 205 205 205 ALA ALA A . n A 1 206 GLU 206 206 206 GLU GLU A . n A 1 207 ALA 207 207 207 ALA ALA A . n A 1 208 PHE 208 208 208 PHE PHE A . n A 1 209 LEU 209 209 209 LEU LEU A . n A 1 210 LYS 210 210 210 LYS LYS A . n A 1 211 ALA 211 211 211 ALA ALA A . n A 1 212 VAL 212 212 212 VAL VAL A . n A 1 213 VAL 213 213 213 VAL VAL A . n A 1 214 CYS 214 214 214 CYS CYS A . n A 1 215 THR 215 215 215 THR THR A . n A 1 216 GLY 216 216 216 GLY GLY A . n A 1 217 THR 217 217 217 THR THR A . n A 1 218 SER 218 218 218 SER SER A . n A 1 219 LEU 219 219 219 LEU LEU A . n A 1 220 LYS 220 220 220 LYS LYS A . n A 1 221 SER 221 221 221 SER SER A . n A 1 222 VAL 222 222 222 VAL VAL A . n A 1 223 LEU 223 223 223 LEU LEU A . n A 1 224 THR 224 224 224 THR THR A . n A 1 225 THR 225 225 225 THR THR A . n A 1 226 THR 226 226 226 THR THR A . n A 1 227 SER 227 227 227 SER SER A . n A 1 228 PHE 228 228 228 PHE PHE A . n A 1 229 GLU 229 229 229 GLU GLU A . n A 1 230 GLY 230 230 230 GLY GLY A . n A 1 231 THR 231 231 231 THR THR A . n A 1 232 CYS 232 232 232 CYS CYS A . n A 1 233 LEU 233 233 233 LEU LEU A . n B 1 1 THR 1 1 1 THR THR B . n B 1 2 THR 2 2 2 THR THR B . n B 1 3 VAL 3 3 3 VAL VAL B . n B 1 4 TYR 4 4 4 TYR TYR B . n B 1 5 LEU 5 5 5 LEU LEU B . n B 1 6 ALA 6 6 6 ALA ALA B . n B 1 7 GLY 7 7 7 GLY GLY B . n B 1 8 ASP 8 8 8 ASP ASP B . n B 1 9 SER 9 9 9 SER SER B . n B 1 10 THR 10 10 10 THR THR B . n B 1 11 MET 11 11 11 MET MET B . n B 1 12 ALA 12 12 12 ALA ALA B . n B 1 13 LYS 13 13 13 LYS LYS B . n B 1 14 ASN 14 14 14 ASN ASN B . n B 1 15 GLY 15 15 15 GLY GLY B . n B 1 16 GLY 16 16 16 GLY GLY B . n B 1 17 GLY 17 17 17 GLY GLY B . n B 1 18 SER 18 18 18 SER SER B . n B 1 19 GLY 19 19 19 GLY GLY B . n B 1 20 THR 20 20 20 THR THR B . n B 1 21 ASN 21 21 21 ASN ASN B . n B 1 22 GLY 22 22 22 GLY GLY B . n B 1 23 TRP 23 23 23 TRP TRP B . n B 1 24 GLY 24 24 24 GLY GLY B . n B 1 25 GLU 25 25 25 GLU GLU B . n B 1 26 TYR 26 26 26 TYR TYR B . n B 1 27 LEU 27 27 27 LEU LEU B . n B 1 28 ALA 28 28 28 ALA ALA B . n B 1 29 SER 29 29 29 SER SER B . n B 1 30 TYR 30 30 30 TYR TYR B . n B 1 31 LEU 31 31 31 LEU LEU B . n B 1 32 SER 32 32 32 SER SER B . n B 1 33 ALA 33 33 33 ALA ALA B . n B 1 34 THR 34 34 34 THR THR B . n B 1 35 VAL 35 35 35 VAL VAL B . n B 1 36 VAL 36 36 36 VAL VAL B . n B 1 37 ASN 37 37 37 ASN ASN B . n B 1 38 ASP 38 38 38 ASP ASP B . n B 1 39 ALA 39 39 39 ALA ALA B . n B 1 40 VAL 40 40 40 VAL VAL B . n B 1 41 ALA 41 41 41 ALA ALA B . n B 1 42 GLY 42 42 42 GLY GLY B . n B 1 43 ARG 43 43 43 ARG ARG B . n B 1 44 SER 44 44 44 SER SER B . n B 1 45 ALA 45 45 45 ALA ALA B . n B 1 46 ARG 46 46 46 ARG ARG B . n B 1 47 SER 47 47 47 SER SER B . n B 1 48 TYR 48 48 48 TYR TYR B . n B 1 49 THR 49 49 49 THR THR B . n B 1 50 ARG 50 50 50 ARG ARG B . n B 1 51 GLU 51 51 51 GLU GLU B . n B 1 52 GLY 52 52 52 GLY GLY B . n B 1 53 ARG 53 53 53 ARG ARG B . n B 1 54 PHE 54 54 54 PHE PHE B . n B 1 55 GLU 55 55 55 GLU GLU B . n B 1 56 ASN 56 56 56 ASN ASN B . n B 1 57 ILE 57 57 57 ILE ILE B . n B 1 58 ALA 58 58 58 ALA ALA B . n B 1 59 ASP 59 59 59 ASP ASP B . n B 1 60 VAL 60 60 60 VAL VAL B . n B 1 61 VAL 61 61 61 VAL VAL B . n B 1 62 THR 62 62 62 THR THR B . n B 1 63 ALA 63 63 63 ALA ALA B . n B 1 64 GLY 64 64 64 GLY GLY B . n B 1 65 ASP 65 65 65 ASP ASP B . n B 1 66 TYR 66 66 66 TYR TYR B . n B 1 67 VAL 67 67 67 VAL VAL B . n B 1 68 ILE 68 68 68 ILE ILE B . n B 1 69 VAL 69 69 69 VAL VAL B . n B 1 70 GLU 70 70 70 GLU GLU B . n B 1 71 PHE 71 71 71 PHE PHE B . n B 1 72 GLY 72 72 72 GLY GLY B . n B 1 73 HIS 73 73 73 HIS HIS B . n B 1 74 ASN 74 74 74 ASN ASN B . n B 1 75 ASP 75 75 75 ASP ASP B . n B 1 76 GLY 76 76 76 GLY GLY B . n B 1 77 GLY 77 77 77 GLY GLY B . n B 1 78 SER 78 78 78 SER SER B . n B 1 79 LEU 79 79 79 LEU LEU B . n B 1 80 SER 80 80 80 SER SER B . n B 1 81 THR 81 81 81 THR THR B . n B 1 82 ASP 82 82 82 ASP ASP B . n B 1 83 ASN 83 83 83 ASN ASN B . n B 1 84 GLY 84 84 84 GLY GLY B . n B 1 85 ARG 85 85 85 ARG ARG B . n B 1 86 THR 86 86 86 THR THR B . n B 1 87 ASP 87 87 87 ASP ASP B . n B 1 88 CYS 88 88 88 CYS CYS B . n B 1 89 SER 89 89 89 SER SER B . n B 1 90 GLY 90 90 90 GLY GLY B . n B 1 91 THR 91 91 91 THR THR B . n B 1 92 GLY 92 92 92 GLY GLY B . n B 1 93 ALA 93 93 93 ALA ALA B . n B 1 94 GLU 94 94 94 GLU GLU B . n B 1 95 VAL 95 95 95 VAL VAL B . n B 1 96 CYS 96 96 96 CYS CYS B . n B 1 97 TYR 97 97 97 TYR TYR B . n B 1 98 SER 98 98 98 SER SER B . n B 1 99 VAL 99 99 99 VAL VAL B . n B 1 100 TYR 100 100 100 TYR TYR B . n B 1 101 ASP 101 101 101 ASP ASP B . n B 1 102 GLY 102 102 102 GLY GLY B . n B 1 103 VAL 103 103 103 VAL VAL B . n B 1 104 ASN 104 104 104 ASN ASN B . n B 1 105 GLU 105 105 105 GLU GLU B . n B 1 106 THR 106 106 106 THR THR B . n B 1 107 ILE 107 107 107 ILE ILE B . n B 1 108 LEU 108 108 108 LEU LEU B . n B 1 109 THR 109 109 109 THR THR B . n B 1 110 PHE 110 110 110 PHE PHE B . n B 1 111 PRO 111 111 111 PRO PRO B . n B 1 112 ALA 112 112 112 ALA ALA B . n B 1 113 TYR 113 113 113 TYR TYR B . n B 1 114 LEU 114 114 114 LEU LEU B . n B 1 115 GLU 115 115 115 GLU GLU B . n B 1 116 ASN 116 116 116 ASN ASN B . n B 1 117 ALA 117 117 117 ALA ALA B . n B 1 118 ALA 118 118 118 ALA ALA B . n B 1 119 LYS 119 119 119 LYS LYS B . n B 1 120 LEU 120 120 120 LEU LEU B . n B 1 121 PHE 121 121 121 PHE PHE B . n B 1 122 THR 122 122 122 THR THR B . n B 1 123 ALA 123 123 123 ALA ALA B . n B 1 124 LYS 124 124 124 LYS LYS B . n B 1 125 GLY 125 125 125 GLY GLY B . n B 1 126 ALA 126 126 126 ALA ALA B . n B 1 127 LYS 127 127 127 LYS LYS B . n B 1 128 VAL 128 128 128 VAL VAL B . n B 1 129 ILE 129 129 129 ILE ILE B . n B 1 130 LEU 130 130 130 LEU LEU B . n B 1 131 SER 131 131 131 SER SER B . n B 1 132 SER 132 132 132 SER SER B . n B 1 133 GLN 133 133 133 GLN GLN B . n B 1 134 THR 134 134 134 THR THR B . n B 1 135 PRO 135 135 135 PRO PRO B . n B 1 136 ASN 136 136 136 ASN ASN B . n B 1 137 ASN 137 137 137 ASN ASN B . n B 1 138 PRO 138 138 138 PRO PRO B . n B 1 139 TRP 139 139 139 TRP TRP B . n B 1 140 GLU 140 140 140 GLU GLU B . n B 1 141 THR 141 141 141 THR THR B . n B 1 142 GLY 142 142 142 GLY GLY B . n B 1 143 THR 143 143 143 THR THR B . n B 1 144 PHE 144 144 144 PHE PHE B . n B 1 145 VAL 145 145 145 VAL VAL B . n B 1 146 ASN 146 146 146 ASN ASN B . n B 1 147 SER 147 147 147 SER SER B . n B 1 148 PRO 148 148 148 PRO PRO B . n B 1 149 THR 149 149 149 THR THR B . n B 1 150 ARG 150 150 150 ARG ARG B . n B 1 151 PHE 151 151 151 PHE PHE B . n B 1 152 VAL 152 152 152 VAL VAL B . n B 1 153 GLU 153 153 153 GLU GLU B . n B 1 154 TYR 154 154 154 TYR TYR B . n B 1 155 ALA 155 155 155 ALA ALA B . n B 1 156 GLU 156 156 156 GLU GLU B . n B 1 157 LEU 157 157 157 LEU LEU B . n B 1 158 ALA 158 158 158 ALA ALA B . n B 1 159 ALA 159 159 159 ALA ALA B . n B 1 160 GLU 160 160 160 GLU GLU B . n B 1 161 VAL 161 161 161 VAL VAL B . n B 1 162 ALA 162 162 162 ALA ALA B . n B 1 163 GLY 163 163 163 GLY GLY B . n B 1 164 VAL 164 164 164 VAL VAL B . n B 1 165 GLU 165 165 165 GLU GLU B . n B 1 166 TYR 166 166 166 TYR TYR B . n B 1 167 VAL 167 167 167 VAL VAL B . n B 1 168 ASP 168 168 168 ASP ASP B . n B 1 169 HIS 169 169 169 HIS HIS B . n B 1 170 TRP 170 170 170 TRP TRP B . n B 1 171 SER 171 171 171 SER SER B . n B 1 172 TYR 172 172 172 TYR TYR B . n B 1 173 VAL 173 173 173 VAL VAL B . n B 1 174 ASP 174 174 174 ASP ASP B . n B 1 175 SER 175 175 175 SER SER B . n B 1 176 ILE 176 176 176 ILE ILE B . n B 1 177 TYR 177 177 177 TYR TYR B . n B 1 178 GLU 178 178 178 GLU GLU B . n B 1 179 THR 179 179 179 THR THR B . n B 1 180 LEU 180 180 180 LEU LEU B . n B 1 181 GLY 181 181 181 GLY GLY B . n B 1 182 ASN 182 182 182 ASN ASN B . n B 1 183 ALA 183 183 183 ALA ALA B . n B 1 184 THR 184 184 184 THR THR B . n B 1 185 VAL 185 185 185 VAL VAL B . n B 1 186 ASN 186 186 186 ASN ASN B . n B 1 187 SER 187 187 187 SER SER B . n B 1 188 TYR 188 188 188 TYR TYR B . n B 1 189 PHE 189 189 189 PHE PHE B . n B 1 190 PRO 190 190 190 PRO PRO B . n B 1 191 ILE 191 191 191 ILE ILE B . n B 1 192 ASP 192 192 192 ASP ASP B . n B 1 193 HIS 193 193 193 HIS HIS B . n B 1 194 THR 194 194 194 THR THR B . n B 1 195 HIS 195 195 195 HIS HIS B . n B 1 196 THR 196 196 196 THR THR B . n B 1 197 SER 197 197 197 SER SER B . n B 1 198 PRO 198 198 198 PRO PRO B . n B 1 199 ALA 199 199 199 ALA ALA B . n B 1 200 GLY 200 200 200 GLY GLY B . n B 1 201 ALA 201 201 201 ALA ALA B . n B 1 202 GLU 202 202 202 GLU GLU B . n B 1 203 VAL 203 203 203 VAL VAL B . n B 1 204 VAL 204 204 204 VAL VAL B . n B 1 205 ALA 205 205 205 ALA ALA B . n B 1 206 GLU 206 206 206 GLU GLU B . n B 1 207 ALA 207 207 207 ALA ALA B . n B 1 208 PHE 208 208 208 PHE PHE B . n B 1 209 LEU 209 209 209 LEU LEU B . n B 1 210 LYS 210 210 210 LYS LYS B . n B 1 211 ALA 211 211 211 ALA ALA B . n B 1 212 VAL 212 212 212 VAL VAL B . n B 1 213 VAL 213 213 213 VAL VAL B . n B 1 214 CYS 214 214 214 CYS CYS B . n B 1 215 THR 215 215 215 THR THR B . n B 1 216 GLY 216 216 216 GLY GLY B . n B 1 217 THR 217 217 217 THR THR B . n B 1 218 SER 218 218 218 SER SER B . n B 1 219 LEU 219 219 219 LEU LEU B . n B 1 220 LYS 220 220 220 LYS LYS B . n B 1 221 SER 221 221 221 SER SER B . n B 1 222 VAL 222 222 222 VAL VAL B . n B 1 223 LEU 223 223 223 LEU LEU B . n B 1 224 THR 224 224 224 THR THR B . n B 1 225 THR 225 225 225 THR THR B . n B 1 226 THR 226 226 226 THR THR B . n B 1 227 SER 227 227 227 SER SER B . n B 1 228 PHE 228 228 228 PHE PHE B . n B 1 229 GLU 229 229 229 GLU GLU B . n B 1 230 GLY 230 230 230 GLY GLY B . n B 1 231 THR 231 231 231 THR THR B . n B 1 232 CYS 232 232 232 CYS CYS B . n B 1 233 LEU 233 233 233 LEU LEU B . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code C 2 NAG 1 301 1 NAG NAG A . D 2 NAG 1 302 2 NAG NAG A . E 2 NAG 1 301 1 NAG NAG B . F 2 NAG 1 302 2 NAG NAG B . G 3 HOH 1 303 3 HOH HOH A . G 3 HOH 2 304 4 HOH HOH A . G 3 HOH 3 305 5 HOH HOH A . G 3 HOH 4 306 11 HOH HOH A . G 3 HOH 5 307 13 HOH HOH A . G 3 HOH 6 308 18 HOH HOH A . G 3 HOH 7 309 21 HOH HOH A . G 3 HOH 8 310 22 HOH HOH A . G 3 HOH 9 311 24 HOH HOH A . G 3 HOH 10 312 29 HOH HOH A . G 3 HOH 11 313 31 HOH HOH A . G 3 HOH 12 314 33 HOH HOH A . G 3 HOH 13 315 34 HOH HOH A . G 3 HOH 14 316 35 HOH HOH A . G 3 HOH 15 317 37 HOH HOH A . G 3 HOH 16 318 40 HOH HOH A . G 3 HOH 17 319 43 HOH HOH A . G 3 HOH 18 320 44 HOH HOH A . G 3 HOH 19 321 45 HOH HOH A . G 3 HOH 20 322 46 HOH HOH A . G 3 HOH 21 323 47 HOH HOH A . G 3 HOH 22 324 49 HOH HOH A . G 3 HOH 23 325 50 HOH HOH A . G 3 HOH 24 326 51 HOH HOH A . G 3 HOH 25 327 53 HOH HOH A . G 3 HOH 26 328 58 HOH HOH A . G 3 HOH 27 329 59 HOH HOH A . G 3 HOH 28 330 60 HOH HOH A . G 3 HOH 29 331 66 HOH HOH A . G 3 HOH 30 332 69 HOH HOH A . H 3 HOH 1 303 1 HOH HOH B . H 3 HOH 2 304 2 HOH HOH B . H 3 HOH 3 305 6 HOH HOH B . H 3 HOH 4 306 7 HOH HOH B . H 3 HOH 5 307 8 HOH HOH B . H 3 HOH 6 308 9 HOH HOH B . H 3 HOH 7 309 10 HOH HOH B . H 3 HOH 8 310 12 HOH HOH B . H 3 HOH 9 311 14 HOH HOH B . H 3 HOH 10 312 16 HOH HOH B . H 3 HOH 11 313 19 HOH HOH B . H 3 HOH 12 314 20 HOH HOH B . H 3 HOH 13 315 23 HOH HOH B . H 3 HOH 14 316 25 HOH HOH B . H 3 HOH 15 317 28 HOH HOH B . H 3 HOH 16 318 30 HOH HOH B . H 3 HOH 17 319 38 HOH HOH B . H 3 HOH 18 320 39 HOH HOH B . H 3 HOH 19 321 41 HOH HOH B . H 3 HOH 20 322 42 HOH HOH B . H 3 HOH 21 323 48 HOH HOH B . H 3 HOH 22 324 52 HOH HOH B . H 3 HOH 23 325 55 HOH HOH B . H 3 HOH 24 326 56 HOH HOH B . H 3 HOH 25 327 61 HOH HOH B . H 3 HOH 26 328 62 HOH HOH B . H 3 HOH 27 329 63 HOH HOH B . H 3 HOH 28 330 67 HOH HOH B . H 3 HOH 29 331 54 HOH HOH B . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 A ASN 104 A ASN 104 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 182 A ASN 182 ? ASN 'GLYCOSYLATION SITE' 3 B ASN 104 B ASN 104 ? ASN 'GLYCOSYLATION SITE' 4 B ASN 182 B ASN 182 ? ASN 'GLYCOSYLATION SITE' # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,G 2 1 B,E,F,H # _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 # 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 2004-03-02 2 'Structure model' 1 1 2008-04-29 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-11 # _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 ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' 4 4 'Structure model' 'Refinement description' # _pdbx_audit_revision_category.ordinal 1 _pdbx_audit_revision_category.revision_ordinal 4 _pdbx_audit_revision_category.data_content_type 'Structure model' _pdbx_audit_revision_category.category software # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal TRUNCATE 'data reduction' . ? 1 AMoRE phasing . ? 2 X-PLOR refinement 3.851 ? 3 CCP4 'data scaling' '(TRUNCATE)' ? 4 # 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 ASP A 8 ? ? -111.37 -153.77 2 1 SER A 32 ? ? -100.74 40.84 3 1 ASN A 137 ? ? -40.20 104.04 4 1 ASP B 8 ? ? -115.24 -153.53 5 1 SER B 32 ? ? -99.47 53.48 6 1 ASN B 137 ? ? -40.06 104.12 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 water HOH #