data_1DEX # _entry.id 1DEX # _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 1DEX RCSB RCSB010024 WWPDB D_1000010024 # _pdbx_database_related.db_name PDB _pdbx_database_related.db_id 1DEO _pdbx_database_related.details ;1DEO contains the same protein crystallized under different conditions ; _pdbx_database_related.content_type unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 1DEX _pdbx_database_status.recvd_initial_deposition_date 1999-11-16 _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 'Kauppinen, S.' 2 'Larsen, S.' 3 # 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 '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 ? 10801485 '10.1016/S0969-2126(00)00118-0' 1 'Molecular cloning and characterization of a rhamnogalacturonan acetylesterase from Aspergillus aculeatus' J.Biol.Chem. 270 27172 27178 1995 JBCHA3 US 0021-9258 0071 ? ? 10.1074/jbc.270.45.27172 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 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Molgaard, A.' 1 primary 'Kauppinen, S.' 2 primary 'Larsen, S.' 3 1 'Kauppinen, S.' 4 1 'Christgau, S.' 5 1 'Kofod, L.V.' 6 1 'Halkier, T.' 7 1 'Dorreich, K.' 8 1 'Dalboge, H.' 9 2 'Molgaard, A.' 10 2 'Petersen, J.' 11 2 'Kauppinen, S.' 12 2 'Dalboge, H.' 13 2 'Johnsen, A.' 14 2 'Navarro Poulsen, J.-C.' 15 2 'Larsen, S.' 16 # _cell.entry_id 1DEX _cell.length_a 52.550 _cell.length_b 57.080 _cell.length_c 71.860 _cell.angle_alpha 90.0 _cell.angle_beta 90.0 _cell.angle_gamma 90.0 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? # _symmetry.entry_id 1DEX _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # 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 1 ? ? ? ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 3 ? ? ? ? 3 non-polymer man BETA-D-MANNOSE 180.156 1 ? ? ? ? 4 non-polymer man ALPHA-D-MANNOSE 180.156 3 ? ? ? ? 5 water nat water 18.015 102 ? ? ? ? # _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 _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 ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'KSM 510' _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 A1560 _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 EMBL _struct_ref.db_code Q00017 _struct_ref.entity_id 1 _struct_ref.pdbx_db_accession Q00017 _struct_ref.pdbx_align_begin ? _struct_ref.pdbx_seq_one_letter_code ? _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 1DEX _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 233 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q00017 _struct_ref_seq.db_align_beg 18 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 250 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 1 _struct_ref_seq.pdbx_auth_seq_align_end 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 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 MAN D-saccharide . ALPHA-D-MANNOSE ? 'C6 H12 O6' 180.156 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 1DEX _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.19 _exptl_crystal.density_percent_sol 43.78 _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 4.7 _exptl_crystal_grow.pdbx_details 'PEG 4000, 2-propanol, pH 4.7, 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 1996-07-19 _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 ? _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 1.5418 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 1DEX _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 30 _reflns.d_resolution_high 1.90 _reflns.number_obs 15662 _reflns.number_all 15662 _reflns.percent_possible_obs 89.7 _reflns.pdbx_Rmerge_I_obs 0.062 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 9.2 _reflns.B_iso_Wilson_estimate 21.9 _reflns.pdbx_redundancy 4.1 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.90 _reflns_shell.d_res_low 2.00 _reflns_shell.percent_possible_all 64.1 _reflns_shell.Rmerge_I_obs 0.258 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs ? _reflns_shell.pdbx_redundancy 3.2 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 1592 _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 1DEX _refine.ls_number_reflns_obs 15446 _refine.ls_number_reflns_all 17590 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 2.0 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.ls_d_res_low 30 _refine.ls_d_res_high 1.90 _refine.ls_percent_reflns_obs ? _refine.ls_R_factor_obs ? _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.162 _refine.ls_R_factor_R_free 0.218 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free ? _refine.ls_number_reflns_R_free 1531 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.B_iso_mean ? _refine.aniso_B[1][1] ? _refine.aniso_B[2][2] ? _refine.aniso_B[3][3] ? _refine.aniso_B[1][2] ? _refine.aniso_B[1][3] ? _refine.aniso_B[2][3] ? _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'Engh and Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details '10% chosen randomly' _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_B ? _refine.ls_redundancy_reflns_obs ? _refine.overall_SU_ML ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _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.pdbx_overall_phase_error ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 1735 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 86 _refine_hist.number_atoms_solvent 102 _refine_hist.number_atoms_total 1923 _refine_hist.d_res_high 1.90 _refine_hist.d_res_low 30 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function x_bond_d 0.014 ? ? ? 'X-RAY DIFFRACTION' ? x_angle_deg 1.62 ? ? ? 'X-RAY DIFFRACTION' ? # _struct.entry_id 1DEX _struct.title 'RHAMNOGALACTURONAN ACETYLESTERASE FROM ASPERGILLUS ACULEATUS AT 1.9 A RESOLUTION' _struct.pdbx_descriptor 'RHAMNOGALACTURONAN ACETYLESTERASE' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 1DEX _struct_keywords.pdbx_keywords HYDROLASE _struct_keywords.text 'SGNH 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 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 4 ? G N N 4 ? H N N 2 ? I N N 5 ? # _struct_biol.id 1 _struct_biol.details 'The biological assembly is a monomer' _struct_biol.pdbx_parent_biol_id ? # 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 27 ? GLY A 22 LEU A 27 5 ? 6 HELX_P HELX_P2 2 LEU A 27 ? TYR A 30 ? LEU A 27 TYR A 30 5 ? 4 HELX_P HELX_P3 3 SER A 44 ? GLU A 51 ? SER A 44 GLU A 51 1 ? 8 HELX_P HELX_P4 4 GLY A 52 ? VAL A 61 ? GLY A 52 VAL A 61 1 ? 10 HELX_P HELX_P5 5 SER A 78 ? ASP A 82 ? SER A 78 ASP A 82 5 ? 5 HELX_P HELX_P6 6 THR A 109 ? LYS A 124 ? THR A 109 LYS A 124 1 ? 16 HELX_P HELX_P7 7 THR A 149 ? GLY A 163 ? THR A 149 GLY A 163 1 ? 15 HELX_P HELX_P8 8 ASP A 168 ? GLY A 181 ? ASP A 168 GLY A 181 1 ? 14 HELX_P HELX_P9 9 GLY A 181 ? TYR A 188 ? GLY A 181 TYR A 188 1 ? 8 HELX_P HELX_P10 10 SER A 197 ? GLY A 216 ? SER A 197 GLY A 216 1 ? 20 HELX_P HELX_P11 11 THR A 217 ? VAL A 222 ? THR A 217 VAL A 222 5 ? 6 # _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 ? ? ? ? ? ? ? 2.031 ? disulf2 disulf ? ? A CYS 214 SG ? ? ? 1_555 A CYS 232 SG ? ? A CYS 214 A CYS 232 1_555 ? ? ? ? ? ? ? 2.042 ? covale1 covale ? ? A ASN 104 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 104 A NAG 1002 1_555 ? ? ? ? ? ? ? 1.477 ? covale2 covale ? ? A ASN 182 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 182 A NAG 1001 1_555 ? ? ? ? ? ? ? 1.442 ? covale3 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 1001 A NAG 1003 1_555 ? ? ? ? ? ? ? 1.387 ? covale4 covale ? ? C NAG . O4 ? ? ? 1_555 D BMA . C1 ? ? A NAG 1003 A BMA 1004 1_555 ? ? ? ? ? ? ? 1.398 ? covale5 covale ? ? D BMA . O6 ? ? ? 1_555 E MAN . C1 ? ? A BMA 1004 A MAN 1005 1_555 ? ? ? ? ? ? ? 1.398 ? covale6 covale ? ? E MAN . O3 ? ? ? 1_555 G MAN . C1 ? ? A MAN 1005 A MAN 1007 1_555 ? ? ? ? ? ? ? 1.395 ? covale7 covale ? ? E MAN . O6 ? ? ? 1_555 F MAN . C1 ? ? A MAN 1005 A MAN 1006 1_555 ? ? ? ? ? ? ? 1.398 ? # 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 ? # 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 # 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 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N VAL A 36 ? N VAL A 36 O VAL A 3 ? O 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 67 ? N VAL A 67 O LYS A 127 ? O LYS A 127 A 4 5 N LEU A 130 ? N LEU A 130 O GLU A 165 ? O GLU A 165 B 1 2 N TYR A 100 ? N TYR A 100 O VAL A 103 ? O VAL A 103 # 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 1001' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 1003' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE BMA A 1004' AC4 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 1005' AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE MAN A 1006' AC6 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE MAN A 1007' AC7 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 1002' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 4 SER A 89 ? SER A 89 . ? 2_765 ? 2 AC1 4 GLY A 142 ? GLY A 142 . ? 1_555 ? 3 AC1 4 ASN A 182 ? ASN A 182 . ? 1_555 ? 4 AC1 4 NAG C . ? NAG A 1003 . ? 1_555 ? 5 AC2 4 NAG B . ? NAG A 1001 . ? 1_555 ? 6 AC2 4 BMA D . ? BMA A 1004 . ? 1_555 ? 7 AC2 4 MAN E . ? MAN A 1005 . ? 1_555 ? 8 AC2 4 MAN G . ? MAN A 1007 . ? 1_555 ? 9 AC3 6 VAL A 213 ? VAL A 213 . ? 3_746 ? 10 AC3 6 CYS A 214 ? CYS A 214 . ? 3_746 ? 11 AC3 6 THR A 215 ? THR A 215 . ? 3_746 ? 12 AC3 6 GLY A 216 ? GLY A 216 . ? 3_746 ? 13 AC3 6 NAG C . ? NAG A 1003 . ? 1_555 ? 14 AC3 6 MAN E . ? MAN A 1005 . ? 1_555 ? 15 AC4 7 VAL A 213 ? VAL A 213 . ? 3_746 ? 16 AC4 7 CYS A 232 ? CYS A 232 . ? 3_746 ? 17 AC4 7 NAG C . ? NAG A 1003 . ? 1_555 ? 18 AC4 7 BMA D . ? BMA A 1004 . ? 1_555 ? 19 AC4 7 MAN F . ? MAN A 1006 . ? 1_555 ? 20 AC4 7 MAN G . ? MAN A 1007 . ? 1_555 ? 21 AC4 7 HOH I . ? HOH A 1094 . ? 1_555 ? 22 AC5 7 GLU A 55 ? GLU A 55 . ? 4_556 ? 23 AC5 7 LYS A 210 ? LYS A 210 . ? 3_746 ? 24 AC5 7 THR A 226 ? THR A 226 . ? 3_746 ? 25 AC5 7 GLY A 230 ? GLY A 230 . ? 3_746 ? 26 AC5 7 THR A 231 ? THR A 231 . ? 3_746 ? 27 AC5 7 CYS A 232 ? CYS A 232 . ? 3_746 ? 28 AC5 7 MAN E . ? MAN A 1005 . ? 1_555 ? 29 AC6 5 GLY A 90 ? GLY A 90 . ? 2_765 ? 30 AC6 5 THR A 91 ? THR A 91 . ? 2_765 ? 31 AC6 5 GLU A 94 ? GLU A 94 . ? 2_765 ? 32 AC6 5 NAG C . ? NAG A 1003 . ? 1_555 ? 33 AC6 5 MAN E . ? MAN A 1005 . ? 1_555 ? 34 AC7 2 ASN A 104 ? ASN A 104 . ? 1_555 ? 35 AC7 2 GLU A 160 ? GLU A 160 . ? 3_745 ? # _database_PDB_matrix.entry_id 1DEX _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 1DEX _atom_sites.fract_transf_matrix[1][1] 0.018947 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.017510 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.013924 _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 H 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 ? 25.436 26.031 37.693 1.00 30.54 ? 1 THR A N 1 ATOM 2 C CA . THR A 1 1 ? 26.756 26.592 37.285 1.00 27.37 ? 1 THR A CA 1 ATOM 3 C C . THR A 1 1 ? 27.843 25.598 37.619 1.00 23.97 ? 1 THR A C 1 ATOM 4 O O . THR A 1 1 ? 27.813 24.983 38.685 1.00 23.58 ? 1 THR A O 1 ATOM 5 C CB . THR A 1 1 ? 27.024 27.907 38.006 1.00 26.67 ? 1 THR A CB 1 ATOM 6 O OG1 . THR A 1 1 ? 25.994 28.829 37.647 1.00 30.93 ? 1 THR A OG1 1 ATOM 7 C CG2 . THR A 1 1 ? 28.387 28.478 37.640 1.00 29.59 ? 1 THR A CG2 1 ATOM 8 H H1 . THR A 1 1 ? 25.439 25.832 38.713 1.00 0.00 ? 1 THR A H1 1 ATOM 9 H H2 . THR A 1 1 ? 25.269 25.148 37.170 1.00 0.00 ? 1 THR A H2 1 ATOM 10 H H3 . THR A 1 1 ? 24.679 26.710 37.472 1.00 0.00 ? 1 THR A H3 1 ATOM 11 H HG1 . THR A 1 1 ? 25.143 28.480 37.923 1.00 0.00 ? 1 THR A HG1 1 ATOM 12 N N . THR A 1 2 ? 28.766 25.401 36.682 1.00 19.35 ? 2 THR A N 1 ATOM 13 C CA . THR A 1 2 ? 29.864 24.474 36.901 1.00 17.53 ? 2 THR A CA 1 ATOM 14 C C . THR A 1 2 ? 31.151 25.256 36.688 1.00 17.56 ? 2 THR A C 1 ATOM 15 O O . THR A 1 2 ? 31.195 26.191 35.881 1.00 17.51 ? 2 THR A O 1 ATOM 16 C CB . THR A 1 2 ? 29.797 23.240 35.932 1.00 15.80 ? 2 THR A CB 1 ATOM 17 O OG1 . THR A 1 2 ? 28.535 22.604 36.067 1.00 15.01 ? 2 THR A OG1 1 ATOM 18 C CG2 . THR A 1 2 ? 30.868 22.222 36.257 1.00 13.60 ? 2 THR A CG2 1 ATOM 19 H H . THR A 1 2 ? 28.713 25.891 35.838 1.00 0.00 ? 2 THR A H 1 ATOM 20 H HG1 . THR A 1 2 ? 27.834 23.229 35.868 1.00 0.00 ? 2 THR A HG1 1 ATOM 21 N N . VAL A 1 3 ? 32.162 24.918 37.482 1.00 15.23 ? 3 VAL A N 1 ATOM 22 C CA . VAL A 1 3 ? 33.470 25.539 37.409 1.00 15.69 ? 3 VAL A CA 1 ATOM 23 C C . VAL A 1 3 ? 34.436 24.448 37.020 1.00 16.46 ? 3 VAL A C 1 ATOM 24 O O . VAL A 1 3 ? 34.577 23.463 37.745 1.00 20.23 ? 3 VAL A O 1 ATOM 25 C CB . VAL A 1 3 ? 33.901 26.112 38.781 1.00 14.00 ? 3 VAL A CB 1 ATOM 26 C CG1 . VAL A 1 3 ? 35.356 26.533 38.754 1.00 11.15 ? 3 VAL A CG1 1 ATOM 27 C CG2 . VAL A 1 3 ? 32.983 27.274 39.175 1.00 15.51 ? 3 VAL A CG2 1 ATOM 28 H H . VAL A 1 3 ? 32.035 24.199 38.119 1.00 0.00 ? 3 VAL A H 1 ATOM 29 N N . TYR A 1 4 ? 35.060 24.599 35.856 1.00 15.81 ? 4 TYR A N 1 ATOM 30 C CA . TYR A 1 4 ? 36.037 23.636 35.380 1.00 14.31 ? 4 TYR A CA 1 ATOM 31 C C . TYR A 1 4 ? 37.452 24.121 35.667 1.00 14.59 ? 4 TYR A C 1 ATOM 32 O O . TYR A 1 4 ? 37.751 25.296 35.473 1.00 16.77 ? 4 TYR A O 1 ATOM 33 C CB . TYR A 1 4 ? 35.850 23.393 33.880 1.00 15.21 ? 4 TYR A CB 1 ATOM 34 C CG . TYR A 1 4 ? 34.542 22.700 33.549 1.00 16.98 ? 4 TYR A CG 1 ATOM 35 C CD1 . TYR A 1 4 ? 33.373 23.434 33.305 1.00 16.35 ? 4 TYR A CD1 1 ATOM 36 C CD2 . TYR A 1 4 ? 34.478 21.316 33.457 1.00 16.73 ? 4 TYR A CD2 1 ATOM 37 C CE1 . TYR A 1 4 ? 32.183 22.799 32.970 1.00 16.01 ? 4 TYR A CE1 1 ATOM 38 C CE2 . TYR A 1 4 ? 33.292 20.678 33.129 1.00 16.28 ? 4 TYR A CE2 1 ATOM 39 C CZ . TYR A 1 4 ? 32.161 21.417 32.886 1.00 18.15 ? 4 TYR A CZ 1 ATOM 40 O OH . TYR A 1 4 ? 31.001 20.762 32.553 1.00 19.91 ? 4 TYR A OH 1 ATOM 41 H H . TYR A 1 4 ? 34.859 25.363 35.299 1.00 0.00 ? 4 TYR A H 1 ATOM 42 H HH . TYR A 1 4 ? 30.302 21.402 32.479 1.00 0.00 ? 4 TYR A HH 1 ATOM 43 N N . LEU A 1 5 ? 38.314 23.214 36.133 1.00 11.86 ? 5 LEU A N 1 ATOM 44 C CA . LEU A 1 5 ? 39.704 23.528 36.437 1.00 11.65 ? 5 LEU A CA 1 ATOM 45 C C . LEU A 1 5 ? 40.620 22.792 35.476 1.00 14.78 ? 5 LEU A C 1 ATOM 46 O O . LEU A 1 5 ? 40.497 21.579 35.326 1.00 15.01 ? 5 LEU A O 1 ATOM 47 C CB . LEU A 1 5 ? 40.064 23.057 37.849 1.00 13.28 ? 5 LEU A CB 1 ATOM 48 C CG . LEU A 1 5 ? 39.117 23.469 38.982 1.00 17.61 ? 5 LEU A CG 1 ATOM 49 C CD1 . LEU A 1 5 ? 39.619 22.909 40.351 1.00 16.66 ? 5 LEU A CD1 1 ATOM 50 C CD2 . LEU A 1 5 ? 39.010 24.989 39.009 1.00 16.18 ? 5 LEU A CD2 1 ATOM 51 H H . LEU A 1 5 ? 37.996 22.300 36.270 1.00 0.00 ? 5 LEU A H 1 ATOM 52 N N . ALA A 1 6 ? 41.547 23.518 34.859 1.00 11.44 ? 6 ALA A N 1 ATOM 53 C CA . ALA A 1 6 ? 42.528 22.956 33.938 1.00 11.54 ? 6 ALA A CA 1 ATOM 54 C C . ALA A 1 6 ? 43.866 23.385 34.527 1.00 13.38 ? 6 ALA A C 1 ATOM 55 O O . ALA A 1 6 ? 44.126 24.582 34.721 1.00 13.22 ? 6 ALA A O 1 ATOM 56 C CB . ALA A 1 6 ? 42.350 23.551 32.525 1.00 11.20 ? 6 ALA A CB 1 ATOM 57 H H . ALA A 1 6 ? 41.575 24.474 35.048 1.00 0.00 ? 6 ALA A H 1 ATOM 58 N N . GLY A 1 7 ? 44.704 22.409 34.846 1.00 11.70 ? 7 GLY A N 1 ATOM 59 C CA . GLY A 1 7 ? 45.993 22.721 35.420 1.00 11.68 ? 7 GLY A CA 1 ATOM 60 C C . GLY A 1 7 ? 46.856 21.489 35.558 1.00 13.39 ? 7 GLY A C 1 ATOM 61 O O . GLY A 1 7 ? 46.555 20.458 34.959 1.00 15.62 ? 7 GLY A O 1 ATOM 62 H H . GLY A 1 7 ? 44.449 21.474 34.691 1.00 0.00 ? 7 GLY A H 1 ATOM 63 N N . ASP A 1 8 ? 47.885 21.574 36.402 1.00 13.21 ? 8 ASP A N 1 ATOM 64 C CA . ASP A 1 8 ? 48.832 20.479 36.592 1.00 13.24 ? 8 ASP A CA 1 ATOM 65 C C . ASP A 1 8 ? 48.786 19.849 37.989 1.00 14.22 ? 8 ASP A C 1 ATOM 66 O O . ASP A 1 8 ? 47.764 19.923 38.669 1.00 15.13 ? 8 ASP A O 1 ATOM 67 C CB . ASP A 1 8 ? 50.255 20.954 36.241 1.00 14.00 ? 8 ASP A CB 1 ATOM 68 C CG . ASP A 1 8 ? 50.726 22.142 37.098 1.00 14.22 ? 8 ASP A CG 1 ATOM 69 O OD1 . ASP A 1 8 ? 50.339 22.248 38.264 1.00 17.58 ? 8 ASP A OD1 1 ATOM 70 O OD2 . ASP A 1 8 ? 51.490 22.982 36.606 1.00 14.19 ? 8 ASP A OD2 1 ATOM 71 H H . ASP A 1 8 ? 48.020 22.391 36.921 1.00 0.00 ? 8 ASP A H 1 ATOM 72 N N . SER A 1 9 ? 49.888 19.234 38.401 1.00 12.15 ? 9 SER A N 1 ATOM 73 C CA . SER A 1 9 ? 49.965 18.579 39.709 1.00 16.94 ? 9 SER A CA 1 ATOM 74 C C . SER A 1 9 ? 49.791 19.492 40.923 1.00 16.35 ? 9 SER A C 1 ATOM 75 O O . SER A 1 9 ? 49.514 19.023 42.012 1.00 16.23 ? 9 SER A O 1 ATOM 76 C CB . SER A 1 9 ? 51.280 17.801 39.843 1.00 18.32 ? 9 SER A CB 1 ATOM 77 O OG . SER A 1 9 ? 52.399 18.637 39.601 1.00 23.76 ? 9 SER A OG 1 ATOM 78 H H . SER A 1 9 ? 50.678 19.196 37.824 1.00 0.00 ? 9 SER A H 1 ATOM 79 H HG . SER A 1 9 ? 53.199 18.110 39.652 1.00 0.00 ? 9 SER A HG 1 ATOM 80 N N . THR A 1 10 ? 50.029 20.780 40.748 1.00 16.24 ? 10 THR A N 1 ATOM 81 C CA . THR A 1 10 ? 49.869 21.731 41.832 1.00 15.41 ? 10 THR A CA 1 ATOM 82 C C . THR A 1 10 ? 48.389 22.032 42.057 1.00 16.52 ? 10 THR A C 1 ATOM 83 O O . THR A 1 10 ? 48.002 22.574 43.107 1.00 17.65 ? 10 THR A O 1 ATOM 84 C CB . THR A 1 10 ? 50.673 23.032 41.564 1.00 16.28 ? 10 THR A CB 1 ATOM 85 O OG1 . THR A 1 10 ? 50.164 23.718 40.408 1.00 11.54 ? 10 THR A OG1 1 ATOM 86 C CG2 . THR A 1 10 ? 52.129 22.698 41.366 1.00 14.76 ? 10 THR A CG2 1 ATOM 87 H H . THR A 1 10 ? 50.337 21.081 39.876 1.00 0.00 ? 10 THR A H 1 ATOM 88 H HG1 . THR A 1 10 ? 50.688 24.507 40.254 1.00 0.00 ? 10 THR A HG1 1 ATOM 89 N N . MET A 1 11 ? 47.557 21.602 41.105 1.00 14.29 ? 11 MET A N 1 ATOM 90 C CA . MET A 1 11 ? 46.126 21.824 41.176 1.00 14.91 ? 11 MET A CA 1 ATOM 91 C C . MET A 1 11 ? 45.310 20.523 41.254 1.00 15.44 ? 11 MET A C 1 ATOM 92 O O . MET A 1 11 ? 44.216 20.469 41.850 1.00 14.63 ? 11 MET A O 1 ATOM 93 C CB . MET A 1 11 ? 45.673 22.611 39.930 1.00 14.42 ? 11 MET A CB 1 ATOM 94 C CG . MET A 1 11 ? 44.163 22.880 39.870 1.00 15.60 ? 11 MET A CG 1 ATOM 95 S SD . MET A 1 11 ? 43.604 23.560 38.284 1.00 18.89 ? 11 MET A SD 1 ATOM 96 C CE . MET A 1 11 ? 44.292 25.237 38.356 1.00 18.05 ? 11 MET A CE 1 ATOM 97 H H . MET A 1 11 ? 47.911 21.128 40.328 1.00 0.00 ? 11 MET A H 1 ATOM 98 N N . ALA A 1 12 ? 45.869 19.475 40.672 1.00 14.65 ? 12 ALA A N 1 ATOM 99 C CA . ALA A 1 12 ? 45.185 18.194 40.565 1.00 17.39 ? 12 ALA A CA 1 ATOM 100 C C . ALA A 1 12 ? 44.914 17.395 41.834 1.00 16.53 ? 12 ALA A C 1 ATOM 101 O O . ALA A 1 12 ? 45.657 17.484 42.816 1.00 16.46 ? 12 ALA A O 1 ATOM 102 C CB . ALA A 1 12 ? 45.946 17.308 39.570 1.00 15.15 ? 12 ALA A CB 1 ATOM 103 H H . ALA A 1 12 ? 46.781 19.561 40.335 1.00 0.00 ? 12 ALA A H 1 ATOM 104 N N . LYS A 1 13 ? 43.869 16.569 41.758 1.00 15.28 ? 13 LYS A N 1 ATOM 105 C CA . LYS A 1 13 ? 43.522 15.646 42.823 1.00 17.97 ? 13 LYS A CA 1 ATOM 106 C C . LYS A 1 13 ? 44.743 14.683 42.956 1.00 19.70 ? 13 LYS A C 1 ATOM 107 O O . LYS A 1 13 ? 45.267 14.182 41.948 1.00 19.89 ? 13 LYS A O 1 ATOM 108 C CB . LYS A 1 13 ? 42.271 14.878 42.427 1.00 16.28 ? 13 LYS A CB 1 ATOM 109 C CG . LYS A 1 13 ? 41.890 13.774 43.397 1.00 24.64 ? 13 LYS A CG 1 ATOM 110 C CD . LYS A 1 13 ? 41.038 12.732 42.719 1.00 26.36 ? 13 LYS A CD 1 ATOM 111 C CE . LYS A 1 13 ? 39.717 13.318 42.318 1.00 34.44 ? 13 LYS A CE 1 ATOM 112 N NZ . LYS A 1 13 ? 38.842 12.320 41.640 1.00 38.64 ? 13 LYS A NZ 1 ATOM 113 H H . LYS A 1 13 ? 43.310 16.591 40.960 1.00 0.00 ? 13 LYS A H 1 ATOM 114 H HZ1 . LYS A 1 13 ? 38.649 11.528 42.285 1.00 0.00 ? 13 LYS A HZ1 1 ATOM 115 H HZ2 . LYS A 1 13 ? 39.314 11.968 40.782 1.00 0.00 ? 13 LYS A HZ2 1 ATOM 116 H HZ3 . LYS A 1 13 ? 37.946 12.777 41.377 1.00 0.00 ? 13 LYS A HZ3 1 ATOM 117 N N . ASN A 1 14 ? 45.219 14.488 44.191 1.00 20.74 ? 14 ASN A N 1 ATOM 118 C CA . ASN A 1 14 ? 46.384 13.648 44.513 1.00 19.72 ? 14 ASN A CA 1 ATOM 119 C C . ASN A 1 14 ? 47.720 14.330 44.261 1.00 18.92 ? 14 ASN A C 1 ATOM 120 O O . ASN A 1 14 ? 48.782 13.723 44.423 1.00 17.58 ? 14 ASN A O 1 ATOM 121 C CB . ASN A 1 14 ? 46.309 12.264 43.844 1.00 21.69 ? 14 ASN A CB 1 ATOM 122 C CG . ASN A 1 14 ? 45.253 11.371 44.491 1.00 26.02 ? 14 ASN A CG 1 ATOM 123 O OD1 . ASN A 1 14 ? 45.213 11.258 45.707 1.00 28.73 ? 14 ASN A OD1 1 ATOM 124 N ND2 . ASN A 1 14 ? 44.369 10.771 43.685 1.00 27.13 ? 14 ASN A ND2 1 ATOM 125 H H . ASN A 1 14 ? 44.753 14.922 44.933 1.00 0.00 ? 14 ASN A H 1 ATOM 126 H HD21 . ASN A 1 14 ? 44.442 10.931 42.720 1.00 0.00 ? 14 ASN A HD21 1 ATOM 127 H HD22 . ASN A 1 14 ? 43.687 10.198 44.092 1.00 0.00 ? 14 ASN A HD22 1 ATOM 128 N N . GLY A 1 15 ? 47.661 15.609 43.878 1.00 20.50 ? 15 GLY A N 1 ATOM 129 C CA . GLY A 1 15 ? 48.866 16.396 43.635 1.00 15.56 ? 15 GLY A CA 1 ATOM 130 C C . GLY A 1 15 ? 49.952 15.693 42.865 1.00 17.21 ? 15 GLY A C 1 ATOM 131 O O . GLY A 1 15 ? 49.724 15.249 41.736 1.00 18.18 ? 15 GLY A O 1 ATOM 132 H H . GLY A 1 15 ? 46.784 16.029 43.770 1.00 0.00 ? 15 GLY A H 1 ATOM 133 N N . GLY A 1 16 ? 51.135 15.618 43.476 1.00 17.70 ? 16 GLY A N 1 ATOM 134 C CA . GLY A 1 16 ? 52.272 14.952 42.870 1.00 20.25 ? 16 GLY A CA 1 ATOM 135 C C . GLY A 1 16 ? 52.587 13.587 43.486 1.00 22.17 ? 16 GLY A C 1 ATOM 136 O O . GLY A 1 16 ? 53.674 13.051 43.283 1.00 24.48 ? 16 GLY A O 1 ATOM 137 H H . GLY A 1 16 ? 51.248 16.043 44.348 1.00 0.00 ? 16 GLY A H 1 ATOM 138 N N . GLY A 1 17 ? 51.614 12.989 44.169 1.00 24.52 ? 17 GLY A N 1 ATOM 139 C CA . GLY A 1 17 ? 51.836 11.702 44.810 1.00 25.92 ? 17 GLY A CA 1 ATOM 140 C C . GLY A 1 17 ? 52.407 11.834 46.221 1.00 28.94 ? 17 GLY A C 1 ATOM 141 O O . GLY A 1 17 ? 52.615 12.942 46.728 1.00 27.81 ? 17 GLY A O 1 ATOM 142 H H . GLY A 1 17 ? 50.745 13.429 44.247 1.00 0.00 ? 17 GLY A H 1 ATOM 143 N N . SER A 1 18 ? 52.672 10.689 46.852 1.00 30.74 ? 18 SER A N 1 ATOM 144 C CA . SER A 1 18 ? 53.202 10.599 48.218 1.00 29.87 ? 18 SER A CA 1 ATOM 145 C C . SER A 1 18 ? 52.673 11.611 49.247 1.00 29.46 ? 18 SER A C 1 ATOM 146 O O . SER A 1 18 ? 53.435 12.352 49.887 1.00 29.12 ? 18 SER A O 1 ATOM 147 C CB . SER A 1 18 ? 54.734 10.542 48.224 1.00 32.63 ? 18 SER A CB 1 ATOM 148 O OG . SER A 1 18 ? 55.319 11.817 48.075 1.00 39.70 ? 18 SER A OG 1 ATOM 149 H H . SER A 1 18 ? 52.502 9.853 46.370 1.00 0.00 ? 18 SER A H 1 ATOM 150 H HG . SER A 1 18 ? 56.273 11.734 48.142 1.00 0.00 ? 18 SER A HG 1 ATOM 151 N N . GLY A 1 19 ? 51.351 11.652 49.377 1.00 29.31 ? 19 GLY A N 1 ATOM 152 C CA . GLY A 1 19 ? 50.733 12.537 50.355 1.00 32.12 ? 19 GLY A CA 1 ATOM 153 C C . GLY A 1 19 ? 50.484 13.995 50.003 1.00 29.40 ? 19 GLY A C 1 ATOM 154 O O . GLY A 1 19 ? 49.990 14.753 50.846 1.00 32.62 ? 19 GLY A O 1 ATOM 155 H H . GLY A 1 19 ? 50.787 11.083 48.812 1.00 0.00 ? 19 GLY A H 1 ATOM 156 N N . THR A 1 20 ? 50.878 14.413 48.804 1.00 25.85 ? 20 THR A N 1 ATOM 157 C CA . THR A 1 20 ? 50.642 15.783 48.393 1.00 20.78 ? 20 THR A CA 1 ATOM 158 C C . THR A 1 20 ? 49.270 15.862 47.733 1.00 20.65 ? 20 THR A C 1 ATOM 159 O O . THR A 1 20 ? 48.655 14.833 47.403 1.00 20.37 ? 20 THR A O 1 ATOM 160 C CB . THR A 1 20 ? 51.733 16.313 47.423 1.00 22.03 ? 20 THR A CB 1 ATOM 161 O OG1 . THR A 1 20 ? 51.717 15.553 46.207 1.00 20.23 ? 20 THR A OG1 1 ATOM 162 C CG2 . THR A 1 20 ? 53.134 16.279 48.084 1.00 17.76 ? 20 THR A CG2 1 ATOM 163 H H . THR A 1 20 ? 51.326 13.795 48.193 1.00 0.00 ? 20 THR A H 1 ATOM 164 H HG1 . THR A 1 20 ? 50.857 15.609 45.786 1.00 0.00 ? 20 THR A HG1 1 ATOM 165 N N . ASN A 1 21 ? 48.757 17.081 47.603 1.00 16.99 ? 21 ASN A N 1 ATOM 166 C CA . ASN A 1 21 ? 47.477 17.280 46.972 1.00 13.77 ? 21 ASN A CA 1 ATOM 167 C C . ASN A 1 21 ? 47.488 18.608 46.262 1.00 12.93 ? 21 ASN A C 1 ATOM 168 O O . ASN A 1 21 ? 48.388 19.406 46.462 1.00 13.95 ? 21 ASN A O 1 ATOM 169 C CB . ASN A 1 21 ? 46.335 17.220 47.969 1.00 16.68 ? 21 ASN A CB 1 ATOM 170 C CG . ASN A 1 21 ? 45.043 16.818 47.312 1.00 19.60 ? 21 ASN A CG 1 ATOM 171 O OD1 . ASN A 1 21 ? 45.012 16.530 46.114 1.00 20.80 ? 21 ASN A OD1 1 ATOM 172 N ND2 . ASN A 1 21 ? 43.963 16.774 48.084 1.00 22.08 ? 21 ASN A ND2 1 ATOM 173 H H . ASN A 1 21 ? 49.238 17.858 47.940 1.00 0.00 ? 21 ASN A H 1 ATOM 174 H HD21 . ASN A 1 21 ? 44.066 16.987 49.033 1.00 0.00 ? 21 ASN A HD21 1 ATOM 175 H HD22 . ASN A 1 21 ? 43.110 16.539 47.665 1.00 0.00 ? 21 ASN A HD22 1 ATOM 176 N N . GLY A 1 22 ? 46.539 18.777 45.349 1.00 14.41 ? 22 GLY A N 1 ATOM 177 C CA . GLY A 1 22 ? 46.433 19.994 44.573 1.00 13.71 ? 22 GLY A CA 1 ATOM 178 C C . GLY A 1 22 ? 45.384 20.934 45.115 1.00 14.36 ? 22 GLY A C 1 ATOM 179 O O . GLY A 1 22 ? 44.378 20.516 45.673 1.00 14.75 ? 22 GLY A O 1 ATOM 180 H H . GLY A 1 22 ? 45.891 18.069 45.166 1.00 0.00 ? 22 GLY A H 1 ATOM 181 N N . TRP A 1 23 ? 45.597 22.222 44.878 1.00 14.80 ? 23 TRP A N 1 ATOM 182 C CA . TRP A 1 23 ? 44.696 23.248 45.386 1.00 15.11 ? 23 TRP A CA 1 ATOM 183 C C . TRP A 1 23 ? 43.265 23.240 44.866 1.00 13.37 ? 23 TRP A C 1 ATOM 184 O O . TRP A 1 23 ? 42.364 23.802 45.499 1.00 12.34 ? 23 TRP A O 1 ATOM 185 C CB . TRP A 1 23 ? 45.354 24.636 45.247 1.00 14.87 ? 23 TRP A CB 1 ATOM 186 C CG . TRP A 1 23 ? 45.347 25.248 43.839 1.00 11.62 ? 23 TRP A CG 1 ATOM 187 C CD1 . TRP A 1 23 ? 46.388 25.257 42.929 1.00 14.88 ? 23 TRP A CD1 1 ATOM 188 C CD2 . TRP A 1 23 ? 44.308 26.060 43.264 1.00 12.47 ? 23 TRP A CD2 1 ATOM 189 N NE1 . TRP A 1 23 ? 46.057 26.045 41.837 1.00 13.90 ? 23 TRP A NE1 1 ATOM 190 C CE2 . TRP A 1 23 ? 44.791 26.547 42.017 1.00 16.25 ? 23 TRP A CE2 1 ATOM 191 C CE3 . TRP A 1 23 ? 43.023 26.437 43.686 1.00 12.86 ? 23 TRP A CE3 1 ATOM 192 C CZ2 . TRP A 1 23 ? 44.028 27.393 41.198 1.00 14.93 ? 23 TRP A CZ2 1 ATOM 193 C CZ3 . TRP A 1 23 ? 42.268 27.277 42.873 1.00 13.14 ? 23 TRP A CZ3 1 ATOM 194 C CH2 . TRP A 1 23 ? 42.774 27.745 41.646 1.00 15.30 ? 23 TRP A CH2 1 ATOM 195 H H . TRP A 1 23 ? 46.377 22.482 44.348 1.00 0.00 ? 23 TRP A H 1 ATOM 196 H HE1 . TRP A 1 23 ? 46.625 26.176 41.058 1.00 0.00 ? 23 TRP A HE1 1 ATOM 197 N N . GLY A 1 24 ? 43.057 22.625 43.707 1.00 11.66 ? 24 GLY A N 1 ATOM 198 C CA . GLY A 1 24 ? 41.727 22.556 43.136 1.00 11.39 ? 24 GLY A CA 1 ATOM 199 C C . GLY A 1 24 ? 40.810 21.728 44.013 1.00 15.18 ? 24 GLY A C 1 ATOM 200 O O . GLY A 1 24 ? 39.591 21.910 43.999 1.00 15.28 ? 24 GLY A O 1 ATOM 201 H H . GLY A 1 24 ? 43.806 22.214 43.227 1.00 0.00 ? 24 GLY A H 1 ATOM 202 N N . GLU A 1 25 ? 41.414 20.839 44.807 1.00 14.91 ? 25 GLU A N 1 ATOM 203 C CA . GLU A 1 25 ? 40.673 19.972 45.726 1.00 16.84 ? 25 GLU A CA 1 ATOM 204 C C . GLU A 1 25 ? 40.057 20.716 46.912 1.00 17.54 ? 25 GLU A C 1 ATOM 205 O O . GLU A 1 25 ? 39.120 20.218 47.521 1.00 18.52 ? 25 GLU A O 1 ATOM 206 C CB . GLU A 1 25 ? 41.597 18.848 46.219 1.00 18.52 ? 25 GLU A CB 1 ATOM 207 C CG . GLU A 1 25 ? 41.907 17.808 45.135 1.00 18.14 ? 25 GLU A CG 1 ATOM 208 C CD . GLU A 1 25 ? 40.624 17.234 44.516 1.00 24.14 ? 25 GLU A CD 1 ATOM 209 O OE1 . GLU A 1 25 ? 40.179 17.736 43.440 1.00 22.82 ? 25 GLU A OE1 1 ATOM 210 O OE2 . GLU A 1 25 ? 40.031 16.300 45.122 1.00 24.03 ? 25 GLU A OE2 1 ATOM 211 H H . GLU A 1 25 ? 42.389 20.760 44.769 1.00 0.00 ? 25 GLU A H 1 ATOM 212 N N . TYR A 1 26 ? 40.498 21.951 47.155 1.00 16.92 ? 26 TYR A N 1 ATOM 213 C CA . TYR A 1 26 ? 40.006 22.729 48.291 1.00 18.33 ? 26 TYR A CA 1 ATOM 214 C C . TYR A 1 26 ? 39.144 23.926 47.945 1.00 20.39 ? 26 TYR A C 1 ATOM 215 O O . TYR A 1 26 ? 38.813 24.730 48.827 1.00 25.20 ? 26 TYR A O 1 ATOM 216 C CB . TYR A 1 26 ? 41.193 23.151 49.179 1.00 16.29 ? 26 TYR A CB 1 ATOM 217 C CG . TYR A 1 26 ? 41.997 21.952 49.630 1.00 17.50 ? 26 TYR A CG 1 ATOM 218 C CD1 . TYR A 1 26 ? 43.028 21.448 48.836 1.00 18.49 ? 26 TYR A CD1 1 ATOM 219 C CD2 . TYR A 1 26 ? 41.661 21.248 50.796 1.00 16.30 ? 26 TYR A CD2 1 ATOM 220 C CE1 . TYR A 1 26 ? 43.699 20.261 49.187 1.00 17.38 ? 26 TYR A CE1 1 ATOM 221 C CE2 . TYR A 1 26 ? 42.332 20.070 51.146 1.00 15.11 ? 26 TYR A CE2 1 ATOM 222 C CZ . TYR A 1 26 ? 43.336 19.584 50.340 1.00 15.54 ? 26 TYR A CZ 1 ATOM 223 O OH . TYR A 1 26 ? 43.963 18.400 50.646 1.00 17.19 ? 26 TYR A OH 1 ATOM 224 H H . TYR A 1 26 ? 41.168 22.348 46.563 1.00 0.00 ? 26 TYR A H 1 ATOM 225 H HH . TYR A 1 26 ? 44.618 18.188 49.977 1.00 0.00 ? 26 TYR A HH 1 ATOM 226 N N . LEU A 1 27 ? 38.707 23.997 46.691 1.00 20.15 ? 27 LEU A N 1 ATOM 227 C CA . LEU A 1 27 ? 37.879 25.103 46.200 1.00 19.86 ? 27 LEU A CA 1 ATOM 228 C C . LEU A 1 27 ? 36.386 24.939 46.432 1.00 19.68 ? 27 LEU A C 1 ATOM 229 O O . LEU A 1 27 ? 35.689 25.902 46.765 1.00 17.67 ? 27 LEU A O 1 ATOM 230 C CB . LEU A 1 27 ? 38.080 25.262 44.685 1.00 22.94 ? 27 LEU A CB 1 ATOM 231 C CG . LEU A 1 27 ? 38.662 26.525 44.061 1.00 28.31 ? 27 LEU A CG 1 ATOM 232 C CD1 . LEU A 1 27 ? 38.223 26.549 42.595 1.00 25.85 ? 27 LEU A CD1 1 ATOM 233 C CD2 . LEU A 1 27 ? 38.159 27.787 44.777 1.00 28.57 ? 27 LEU A CD2 1 ATOM 234 H H . LEU A 1 27 ? 38.948 23.280 46.067 1.00 0.00 ? 27 LEU A H 1 ATOM 235 N N . ALA A 1 28 ? 35.891 23.728 46.182 1.00 19.71 ? 28 ALA A N 1 ATOM 236 C CA . ALA A 1 28 ? 34.469 23.428 46.285 1.00 20.99 ? 28 ALA A CA 1 ATOM 237 C C . ALA A 1 28 ? 33.794 23.856 47.572 1.00 21.12 ? 28 ALA A C 1 ATOM 238 O O . ALA A 1 28 ? 32.644 24.265 47.542 1.00 22.00 ? 28 ALA A O 1 ATOM 239 C CB . ALA A 1 28 ? 34.210 21.933 46.013 1.00 23.42 ? 28 ALA A CB 1 ATOM 240 H H . ALA A 1 28 ? 36.513 23.024 45.934 1.00 0.00 ? 28 ALA A H 1 ATOM 241 N N . SER A 1 29 ? 34.507 23.769 48.694 1.00 21.76 ? 29 SER A N 1 ATOM 242 C CA . SER A 1 29 ? 33.962 24.165 49.992 1.00 20.19 ? 29 SER A CA 1 ATOM 243 C C . SER A 1 29 ? 33.525 25.614 49.992 1.00 19.52 ? 29 SER A C 1 ATOM 244 O O . SER A 1 29 ? 32.610 25.984 50.719 1.00 20.10 ? 29 SER A O 1 ATOM 245 C CB . SER A 1 29 ? 35.022 24.036 51.085 1.00 21.78 ? 29 SER A CB 1 ATOM 246 O OG . SER A 1 29 ? 35.576 22.745 51.119 1.00 29.58 ? 29 SER A OG 1 ATOM 247 H H . SER A 1 29 ? 35.426 23.433 48.643 1.00 0.00 ? 29 SER A H 1 ATOM 248 H HG . SER A 1 29 ? 34.884 22.118 51.340 1.00 0.00 ? 29 SER A HG 1 ATOM 249 N N . TYR A 1 30 ? 34.199 26.445 49.200 1.00 18.40 ? 30 TYR A N 1 ATOM 250 C CA . TYR A 1 30 ? 33.906 27.870 49.175 1.00 17.42 ? 30 TYR A CA 1 ATOM 251 C C . TYR A 1 30 ? 33.050 28.414 48.033 1.00 18.52 ? 30 TYR A C 1 ATOM 252 O O . TYR A 1 30 ? 32.866 29.628 47.924 1.00 20.47 ? 30 TYR A O 1 ATOM 253 C CB . TYR A 1 30 ? 35.215 28.648 49.239 1.00 16.38 ? 30 TYR A CB 1 ATOM 254 C CG . TYR A 1 30 ? 36.130 28.237 50.380 1.00 16.86 ? 30 TYR A CG 1 ATOM 255 C CD1 . TYR A 1 30 ? 37.336 27.582 50.127 1.00 15.03 ? 30 TYR A CD1 1 ATOM 256 C CD2 . TYR A 1 30 ? 35.808 28.537 51.712 1.00 17.73 ? 30 TYR A CD2 1 ATOM 257 C CE1 . TYR A 1 30 ? 38.213 27.242 51.160 1.00 18.19 ? 30 TYR A CE1 1 ATOM 258 C CE2 . TYR A 1 30 ? 36.675 28.195 52.754 1.00 16.95 ? 30 TYR A CE2 1 ATOM 259 C CZ . TYR A 1 30 ? 37.876 27.559 52.473 1.00 18.10 ? 30 TYR A CZ 1 ATOM 260 O OH . TYR A 1 30 ? 38.780 27.298 53.486 1.00 19.37 ? 30 TYR A OH 1 ATOM 261 H H . TYR A 1 30 ? 34.914 26.086 48.638 1.00 0.00 ? 30 TYR A H 1 ATOM 262 H HH . TYR A 1 30 ? 39.287 26.546 53.200 1.00 0.00 ? 30 TYR A HH 1 ATOM 263 N N . LEU A 1 31 ? 32.522 27.539 47.188 1.00 17.83 ? 31 LEU A N 1 ATOM 264 C CA . LEU A 1 31 ? 31.705 27.987 46.063 1.00 19.15 ? 31 LEU A CA 1 ATOM 265 C C . LEU A 1 31 ? 30.359 27.320 46.089 1.00 20.26 ? 31 LEU A C 1 ATOM 266 O O . LEU A 1 31 ? 30.235 26.184 46.526 1.00 21.31 ? 31 LEU A O 1 ATOM 267 C CB . LEU A 1 31 ? 32.386 27.655 44.732 1.00 17.50 ? 31 LEU A CB 1 ATOM 268 C CG . LEU A 1 31 ? 33.823 28.154 44.519 1.00 17.83 ? 31 LEU A CG 1 ATOM 269 C CD1 . LEU A 1 31 ? 34.318 27.687 43.162 1.00 20.02 ? 31 LEU A CD1 1 ATOM 270 C CD2 . LEU A 1 31 ? 33.901 29.663 44.617 1.00 19.87 ? 31 LEU A CD2 1 ATOM 271 H H . LEU A 1 31 ? 32.684 26.581 47.321 1.00 0.00 ? 31 LEU A H 1 ATOM 272 N N . SER A 1 32 ? 29.336 28.036 45.648 1.00 21.58 ? 32 SER A N 1 ATOM 273 C CA . SER A 1 32 ? 28.003 27.469 45.600 1.00 26.02 ? 32 SER A CA 1 ATOM 274 C C . SER A 1 32 ? 27.793 26.809 44.225 1.00 29.02 ? 32 SER A C 1 ATOM 275 O O . SER A 1 32 ? 26.673 26.475 43.844 1.00 36.00 ? 32 SER A O 1 ATOM 276 C CB . SER A 1 32 ? 26.942 28.536 45.897 1.00 24.08 ? 32 SER A CB 1 ATOM 277 O OG . SER A 1 32 ? 27.107 29.663 45.055 1.00 30.51 ? 32 SER A OG 1 ATOM 278 H H . SER A 1 32 ? 29.466 28.951 45.340 1.00 0.00 ? 32 SER A H 1 ATOM 279 H HG . SER A 1 32 ? 27.041 29.399 44.134 1.00 0.00 ? 32 SER A HG 1 ATOM 280 N N . ALA A 1 33 ? 28.883 26.592 43.500 1.00 28.75 ? 33 ALA A N 1 ATOM 281 C CA . ALA A 1 33 ? 28.821 25.947 42.195 1.00 30.22 ? 33 ALA A CA 1 ATOM 282 C C . ALA A 1 33 ? 29.536 24.582 42.222 1.00 29.05 ? 33 ALA A C 1 ATOM 283 O O . ALA A 1 33 ? 30.345 24.316 43.102 1.00 28.34 ? 33 ALA A O 1 ATOM 284 C CB . ALA A 1 33 ? 29.461 26.854 41.131 1.00 29.69 ? 33 ALA A CB 1 ATOM 285 H H . ALA A 1 33 ? 29.758 26.869 43.835 1.00 0.00 ? 33 ALA A H 1 ATOM 286 N N . THR A 1 34 ? 29.193 23.709 41.278 1.00 27.43 ? 34 THR A N 1 ATOM 287 C CA . THR A 1 34 ? 29.837 22.399 41.154 1.00 25.14 ? 34 THR A CA 1 ATOM 288 C C . THR A 1 34 ? 31.249 22.630 40.619 1.00 21.87 ? 34 THR A C 1 ATOM 289 O O . THR A 1 34 ? 31.438 23.429 39.707 1.00 19.38 ? 34 THR A O 1 ATOM 290 C CB . THR A 1 34 ? 29.096 21.507 40.126 1.00 24.71 ? 34 THR A CB 1 ATOM 291 O OG1 . THR A 1 34 ? 27.733 21.367 40.526 1.00 29.04 ? 34 THR A OG1 1 ATOM 292 C CG2 . THR A 1 34 ? 29.741 20.128 40.040 1.00 19.65 ? 34 THR A CG2 1 ATOM 293 H H . THR A 1 34 ? 28.486 23.952 40.646 1.00 0.00 ? 34 THR A H 1 ATOM 294 H HG1 . THR A 1 34 ? 27.264 20.829 39.883 1.00 0.00 ? 34 THR A HG1 1 ATOM 295 N N . VAL A 1 35 ? 32.231 21.942 41.190 1.00 17.89 ? 35 VAL A N 1 ATOM 296 C CA . VAL A 1 35 ? 33.611 22.071 40.750 1.00 18.25 ? 35 VAL A CA 1 ATOM 297 C C . VAL A 1 35 ? 34.055 20.764 40.092 1.00 18.37 ? 35 VAL A C 1 ATOM 298 O O . VAL A 1 35 ? 33.817 19.679 40.629 1.00 19.03 ? 35 VAL A O 1 ATOM 299 C CB . VAL A 1 35 ? 34.560 22.423 41.932 1.00 17.67 ? 35 VAL A CB 1 ATOM 300 C CG1 . VAL A 1 35 ? 36.039 22.293 41.498 1.00 18.58 ? 35 VAL A CG1 1 ATOM 301 C CG2 . VAL A 1 35 ? 34.279 23.866 42.427 1.00 17.63 ? 35 VAL A CG2 1 ATOM 302 H H . VAL A 1 35 ? 32.026 21.324 41.919 1.00 0.00 ? 35 VAL A H 1 ATOM 303 N N . VAL A 1 36 ? 34.613 20.867 38.893 1.00 14.95 ? 36 VAL A N 1 ATOM 304 C CA . VAL A 1 36 ? 35.094 19.702 38.175 1.00 14.46 ? 36 VAL A CA 1 ATOM 305 C C . VAL A 1 36 ? 36.568 19.959 37.979 1.00 15.13 ? 36 VAL A C 1 ATOM 306 O O . VAL A 1 36 ? 36.972 20.900 37.272 1.00 14.30 ? 36 VAL A O 1 ATOM 307 C CB . VAL A 1 36 ? 34.378 19.513 36.820 1.00 14.49 ? 36 VAL A CB 1 ATOM 308 C CG1 . VAL A 1 36 ? 35.023 18.353 36.050 1.00 16.51 ? 36 VAL A CG1 1 ATOM 309 C CG2 . VAL A 1 36 ? 32.901 19.225 37.040 1.00 11.71 ? 36 VAL A CG2 1 ATOM 310 H H . VAL A 1 36 ? 34.714 21.741 38.484 1.00 0.00 ? 36 VAL A H 1 ATOM 311 N N . ASN A 1 37 ? 37.372 19.166 38.676 1.00 14.27 ? 37 ASN A N 1 ATOM 312 C CA . ASN A 1 37 ? 38.806 19.315 38.636 1.00 14.83 ? 37 ASN A CA 1 ATOM 313 C C . ASN A 1 37 ? 39.400 18.434 37.541 1.00 17.00 ? 37 ASN A C 1 ATOM 314 O O . ASN A 1 37 ? 39.601 17.245 37.741 1.00 13.70 ? 37 ASN A O 1 ATOM 315 C CB . ASN A 1 37 ? 39.411 18.972 40.013 1.00 15.12 ? 37 ASN A CB 1 ATOM 316 C CG . ASN A 1 37 ? 40.881 19.358 40.138 1.00 16.29 ? 37 ASN A CG 1 ATOM 317 O OD1 . ASN A 1 37 ? 41.517 19.763 39.166 1.00 18.79 ? 37 ASN A OD1 1 ATOM 318 N ND2 . ASN A 1 37 ? 41.422 19.249 41.349 1.00 15.16 ? 37 ASN A ND2 1 ATOM 319 H H . ASN A 1 37 ? 36.981 18.460 39.232 1.00 0.00 ? 37 ASN A H 1 ATOM 320 H HD21 . ASN A 1 37 ? 40.849 18.969 42.079 1.00 0.00 ? 37 ASN A HD21 1 ATOM 321 H HD22 . ASN A 1 37 ? 42.376 19.449 41.446 1.00 0.00 ? 37 ASN A HD22 1 ATOM 322 N N . ASP A 1 38 ? 39.703 19.050 36.397 1.00 17.96 ? 38 ASP A N 1 ATOM 323 C CA . ASP A 1 38 ? 40.299 18.367 35.242 1.00 16.81 ? 38 ASP A CA 1 ATOM 324 C C . ASP A 1 38 ? 41.803 18.573 35.130 1.00 17.06 ? 38 ASP A C 1 ATOM 325 O O . ASP A 1 38 ? 42.370 18.447 34.033 1.00 17.54 ? 38 ASP A O 1 ATOM 326 C CB . ASP A 1 38 ? 39.617 18.809 33.940 1.00 16.71 ? 38 ASP A CB 1 ATOM 327 C CG . ASP A 1 38 ? 38.248 18.181 33.765 1.00 23.84 ? 38 ASP A CG 1 ATOM 328 O OD1 . ASP A 1 38 ? 37.991 17.127 34.384 1.00 26.98 ? 38 ASP A OD1 1 ATOM 329 O OD2 . ASP A 1 38 ? 37.399 18.752 33.049 1.00 26.54 ? 38 ASP A OD2 1 ATOM 330 H H . ASP A 1 38 ? 39.508 20.008 36.331 1.00 0.00 ? 38 ASP A H 1 ATOM 331 N N . ALA A 1 39 ? 42.447 18.927 36.245 1.00 13.62 ? 39 ALA A N 1 ATOM 332 C CA . ALA A 1 39 ? 43.892 19.108 36.243 1.00 15.18 ? 39 ALA A CA 1 ATOM 333 C C . ALA A 1 39 ? 44.510 17.706 36.277 1.00 15.33 ? 39 ALA A C 1 ATOM 334 O O . ALA A 1 39 ? 43.885 16.756 36.749 1.00 15.90 ? 39 ALA A O 1 ATOM 335 C CB . ALA A 1 39 ? 44.362 19.975 37.434 1.00 12.81 ? 39 ALA A CB 1 ATOM 336 H H . ALA A 1 39 ? 41.939 19.060 37.072 1.00 0.00 ? 39 ALA A H 1 ATOM 337 N N . VAL A 1 40 ? 45.691 17.572 35.681 1.00 15.07 ? 40 VAL A N 1 ATOM 338 C CA . VAL A 1 40 ? 46.388 16.292 35.590 1.00 14.94 ? 40 VAL A CA 1 ATOM 339 C C . VAL A 1 40 ? 47.867 16.516 35.802 1.00 12.62 ? 40 VAL A C 1 ATOM 340 O O . VAL A 1 40 ? 48.449 17.407 35.201 1.00 13.84 ? 40 VAL A O 1 ATOM 341 C CB . VAL A 1 40 ? 46.189 15.643 34.182 1.00 13.73 ? 40 VAL A CB 1 ATOM 342 C CG1 . VAL A 1 40 ? 46.794 14.253 34.142 1.00 18.30 ? 40 VAL A CG1 1 ATOM 343 C CG2 . VAL A 1 40 ? 44.753 15.528 33.878 1.00 17.54 ? 40 VAL A CG2 1 ATOM 344 H H . VAL A 1 40 ? 46.107 18.366 35.287 1.00 0.00 ? 40 VAL A H 1 ATOM 345 N N . ALA A 1 41 ? 48.495 15.676 36.623 1.00 14.95 ? 41 ALA A N 1 ATOM 346 C CA . ALA A 1 41 ? 49.925 15.804 36.898 1.00 15.24 ? 41 ALA A CA 1 ATOM 347 C C . ALA A 1 41 ? 50.790 15.699 35.637 1.00 15.46 ? 41 ALA A C 1 ATOM 348 O O . ALA A 1 41 ? 50.508 14.907 34.738 1.00 14.85 ? 41 ALA A O 1 ATOM 349 C CB . ALA A 1 41 ? 50.363 14.744 37.919 1.00 14.72 ? 41 ALA A CB 1 ATOM 350 H H . ALA A 1 41 ? 47.997 14.958 37.038 1.00 0.00 ? 41 ALA A H 1 ATOM 351 N N . GLY A 1 42 ? 51.826 16.521 35.574 1.00 15.07 ? 42 GLY A N 1 ATOM 352 C CA . GLY A 1 42 ? 52.754 16.484 34.451 1.00 17.98 ? 42 GLY A CA 1 ATOM 353 C C . GLY A 1 42 ? 52.411 17.248 33.181 1.00 16.82 ? 42 GLY A C 1 ATOM 354 O O . GLY A 1 42 ? 53.229 17.282 32.275 1.00 19.52 ? 42 GLY A O 1 ATOM 355 H H . GLY A 1 42 ? 51.945 17.165 36.297 1.00 0.00 ? 42 GLY A H 1 ATOM 356 N N . ARG A 1 43 ? 51.231 17.854 33.106 1.00 15.84 ? 43 ARG A N 1 ATOM 357 C CA . ARG A 1 43 ? 50.814 18.598 31.919 1.00 16.01 ? 43 ARG A CA 1 ATOM 358 C C . ARG A 1 43 ? 51.241 20.071 31.850 1.00 18.62 ? 43 ARG A C 1 ATOM 359 O O . ARG A 1 43 ? 51.339 20.766 32.877 1.00 18.48 ? 43 ARG A O 1 ATOM 360 C CB . ARG A 1 43 ? 49.298 18.503 31.759 1.00 14.69 ? 43 ARG A CB 1 ATOM 361 C CG . ARG A 1 43 ? 48.818 17.243 31.070 1.00 16.70 ? 43 ARG A CG 1 ATOM 362 C CD . ARG A 1 43 ? 49.245 15.967 31.805 1.00 15.75 ? 43 ARG A CD 1 ATOM 363 N NE . ARG A 1 43 ? 48.852 14.775 31.053 1.00 19.65 ? 43 ARG A NE 1 ATOM 364 C CZ . ARG A 1 43 ? 49.163 13.519 31.376 1.00 22.85 ? 43 ARG A CZ 1 ATOM 365 N NH1 . ARG A 1 43 ? 49.870 13.233 32.464 1.00 19.81 ? 43 ARG A NH1 1 ATOM 366 N NH2 . ARG A 1 43 ? 48.839 12.537 30.553 1.00 20.17 ? 43 ARG A NH2 1 ATOM 367 H H . ARG A 1 43 ? 50.617 17.801 33.868 1.00 0.00 ? 43 ARG A H 1 ATOM 368 H HE . ARG A 1 43 ? 48.308 14.920 30.259 1.00 0.00 ? 43 ARG A HE 1 ATOM 369 H HH11 . ARG A 1 43 ? 50.186 13.969 33.060 1.00 0.00 ? 43 ARG A HH11 1 ATOM 370 H HH12 . ARG A 1 43 ? 50.094 12.283 32.679 1.00 0.00 ? 43 ARG A HH12 1 ATOM 371 H HH21 . ARG A 1 43 ? 48.363 12.741 29.697 1.00 0.00 ? 43 ARG A HH21 1 ATOM 372 H HH22 . ARG A 1 43 ? 49.070 11.592 30.784 1.00 0.00 ? 43 ARG A HH22 1 ATOM 373 N N . SER A 1 44 ? 51.498 20.530 30.621 1.00 17.94 ? 44 SER A N 1 ATOM 374 C CA . SER A 1 44 ? 51.870 21.910 30.308 1.00 15.62 ? 44 SER A CA 1 ATOM 375 C C . SER A 1 44 ? 50.744 22.434 29.407 1.00 13.63 ? 44 SER A C 1 ATOM 376 O O . SER A 1 44 ? 49.803 21.693 29.120 1.00 14.22 ? 44 SER A O 1 ATOM 377 C CB . SER A 1 44 ? 53.204 21.929 29.556 1.00 19.44 ? 44 SER A CB 1 ATOM 378 O OG . SER A 1 44 ? 53.094 21.306 28.281 1.00 16.37 ? 44 SER A OG 1 ATOM 379 H H . SER A 1 44 ? 51.434 19.898 29.875 1.00 0.00 ? 44 SER A H 1 ATOM 380 H HG . SER A 1 44 ? 52.820 20.391 28.391 1.00 0.00 ? 44 SER A HG 1 ATOM 381 N N . ALA A 1 45 ? 50.791 23.698 28.981 1.00 15.00 ? 45 ALA A N 1 ATOM 382 C CA . ALA A 1 45 ? 49.749 24.212 28.064 1.00 14.04 ? 45 ALA A CA 1 ATOM 383 C C . ALA A 1 45 ? 49.769 23.383 26.739 1.00 11.94 ? 45 ALA A C 1 ATOM 384 O O . ALA A 1 45 ? 48.727 23.032 26.196 1.00 15.64 ? 45 ALA A O 1 ATOM 385 C CB . ALA A 1 45 ? 49.952 25.710 27.787 1.00 12.82 ? 45 ALA A CB 1 ATOM 386 H H . ALA A 1 45 ? 51.480 24.284 29.299 1.00 0.00 ? 45 ALA A H 1 ATOM 387 N N . ARG A 1 46 ? 50.962 23.007 26.295 1.00 13.59 ? 46 ARG A N 1 ATOM 388 C CA . ARG A 1 46 ? 51.154 22.181 25.095 1.00 13.37 ? 46 ARG A CA 1 ATOM 389 C C . ARG A 1 46 ? 50.547 20.755 25.204 1.00 14.73 ? 46 ARG A C 1 ATOM 390 O O . ARG A 1 46 ? 49.656 20.406 24.427 1.00 14.69 ? 46 ARG A O 1 ATOM 391 C CB . ARG A 1 46 ? 52.648 22.080 24.777 1.00 11.89 ? 46 ARG A CB 1 ATOM 392 C CG . ARG A 1 46 ? 53.009 21.113 23.627 1.00 11.82 ? 46 ARG A CG 1 ATOM 393 C CD . ARG A 1 46 ? 54.488 20.936 23.559 1.00 12.66 ? 46 ARG A CD 1 ATOM 394 N NE . ARG A 1 46 ? 54.887 19.816 22.715 1.00 15.35 ? 46 ARG A NE 1 ATOM 395 C CZ . ARG A 1 46 ? 56.134 19.350 22.645 1.00 15.54 ? 46 ARG A CZ 1 ATOM 396 N NH1 . ARG A 1 46 ? 57.097 19.909 23.368 1.00 13.77 ? 46 ARG A NH1 1 ATOM 397 N NH2 . ARG A 1 46 ? 56.416 18.294 21.886 1.00 16.43 ? 46 ARG A NH2 1 ATOM 398 H H . ARG A 1 46 ? 51.763 23.290 26.785 1.00 0.00 ? 46 ARG A H 1 ATOM 399 H HE . ARG A 1 46 ? 54.201 19.368 22.189 1.00 0.00 ? 46 ARG A HE 1 ATOM 400 H HH11 . ARG A 1 46 ? 56.882 20.673 23.973 1.00 0.00 ? 46 ARG A HH11 1 ATOM 401 H HH12 . ARG A 1 46 ? 58.030 19.582 23.304 1.00 0.00 ? 46 ARG A HH12 1 ATOM 402 H HH21 . ARG A 1 46 ? 55.693 17.842 21.364 1.00 0.00 ? 46 ARG A HH21 1 ATOM 403 H HH22 . ARG A 1 46 ? 57.346 17.950 21.852 1.00 0.00 ? 46 ARG A HH22 1 ATOM 404 N N . SER A 1 47 ? 51.036 19.934 26.141 1.00 13.26 ? 47 SER A N 1 ATOM 405 C CA . SER A 1 47 ? 50.526 18.578 26.259 1.00 13.80 ? 47 SER A CA 1 ATOM 406 C C . SER A 1 47 ? 49.070 18.496 26.646 1.00 15.39 ? 47 SER A C 1 ATOM 407 O O . SER A 1 47 ? 48.380 17.567 26.214 1.00 16.30 ? 47 SER A O 1 ATOM 408 C CB . SER A 1 47 ? 51.401 17.708 27.158 1.00 17.13 ? 47 SER A CB 1 ATOM 409 O OG . SER A 1 47 ? 51.384 18.162 28.491 1.00 16.33 ? 47 SER A OG 1 ATOM 410 H H . SER A 1 47 ? 51.733 20.252 26.753 1.00 0.00 ? 47 SER A H 1 ATOM 411 H HG . SER A 1 47 ? 51.730 19.057 28.530 1.00 0.00 ? 47 SER A HG 1 ATOM 412 N N . TYR A 1 48 ? 48.569 19.472 27.415 1.00 13.56 ? 48 TYR A N 1 ATOM 413 C CA . TYR A 1 48 ? 47.146 19.469 27.796 1.00 12.43 ? 48 TYR A CA 1 ATOM 414 C C . TYR A 1 48 ? 46.318 19.694 26.513 1.00 15.42 ? 48 TYR A C 1 ATOM 415 O O . TYR A 1 48 ? 45.254 19.110 26.342 1.00 15.30 ? 48 TYR A O 1 ATOM 416 C CB . TYR A 1 48 ? 46.858 20.574 28.831 1.00 12.64 ? 48 TYR A CB 1 ATOM 417 C CG . TYR A 1 48 ? 45.589 20.396 29.621 1.00 11.18 ? 48 TYR A CG 1 ATOM 418 C CD1 . TYR A 1 48 ? 45.553 19.575 30.755 1.00 11.70 ? 48 TYR A CD1 1 ATOM 419 C CD2 . TYR A 1 48 ? 44.429 21.089 29.273 1.00 8.46 ? 48 TYR A CD2 1 ATOM 420 C CE1 . TYR A 1 48 ? 44.391 19.464 31.514 1.00 9.60 ? 48 TYR A CE1 1 ATOM 421 C CE2 . TYR A 1 48 ? 43.273 20.982 30.015 1.00 10.71 ? 48 TYR A CE2 1 ATOM 422 C CZ . TYR A 1 48 ? 43.264 20.160 31.134 1.00 10.77 ? 48 TYR A CZ 1 ATOM 423 O OH . TYR A 1 48 ? 42.093 19.994 31.810 1.00 14.07 ? 48 TYR A OH 1 ATOM 424 H H . TYR A 1 48 ? 49.156 20.189 27.729 1.00 0.00 ? 48 TYR A H 1 ATOM 425 H HH . TYR A 1 48 ? 42.153 19.230 32.373 1.00 0.00 ? 48 TYR A HH 1 ATOM 426 N N . THR A 1 49 ? 46.837 20.525 25.600 1.00 15.98 ? 49 THR A N 1 ATOM 427 C CA . THR A 1 49 ? 46.155 20.789 24.326 1.00 16.46 ? 49 THR A CA 1 ATOM 428 C C . THR A 1 49 ? 46.262 19.538 23.436 1.00 13.46 ? 49 THR A C 1 ATOM 429 O O . THR A 1 49 ? 45.255 19.016 22.983 1.00 16.10 ? 49 THR A O 1 ATOM 430 C CB . THR A 1 49 ? 46.788 22.007 23.590 1.00 17.02 ? 49 THR A CB 1 ATOM 431 O OG1 . THR A 1 49 ? 46.652 23.177 24.406 1.00 13.86 ? 49 THR A OG1 1 ATOM 432 C CG2 . THR A 1 49 ? 46.092 22.269 22.221 1.00 13.58 ? 49 THR A CG2 1 ATOM 433 H H . THR A 1 49 ? 47.691 20.967 25.786 1.00 0.00 ? 49 THR A H 1 ATOM 434 H HG1 . THR A 1 49 ? 45.722 23.388 24.507 1.00 0.00 ? 49 THR A HG1 1 ATOM 435 N N . ARG A 1 50 ? 47.481 19.045 23.255 1.00 13.74 ? 50 ARG A N 1 ATOM 436 C CA . ARG A 1 50 ? 47.738 17.867 22.442 1.00 14.93 ? 50 ARG A CA 1 ATOM 437 C C . ARG A 1 50 ? 46.925 16.639 22.879 1.00 16.85 ? 50 ARG A C 1 ATOM 438 O O . ARG A 1 50 ? 46.390 15.918 22.047 1.00 17.13 ? 50 ARG A O 1 ATOM 439 C CB . ARG A 1 50 ? 49.228 17.543 22.424 1.00 13.87 ? 50 ARG A CB 1 ATOM 440 C CG . ARG A 1 50 ? 49.562 16.336 21.543 1.00 14.52 ? 50 ARG A CG 1 ATOM 441 C CD . ARG A 1 50 ? 51.032 16.024 21.551 1.00 14.27 ? 50 ARG A CD 1 ATOM 442 N NE . ARG A 1 50 ? 51.445 15.483 22.836 1.00 17.93 ? 50 ARG A NE 1 ATOM 443 C CZ . ARG A 1 50 ? 52.378 16.016 23.617 1.00 18.40 ? 50 ARG A CZ 1 ATOM 444 N NH1 . ARG A 1 50 ? 52.668 15.421 24.766 1.00 16.35 ? 50 ARG A NH1 1 ATOM 445 N NH2 . ARG A 1 50 ? 53.030 17.124 23.251 1.00 14.65 ? 50 ARG A NH2 1 ATOM 446 H H . ARG A 1 50 ? 48.226 19.482 23.691 1.00 0.00 ? 50 ARG A H 1 ATOM 447 H HE . ARG A 1 50 ? 51.009 14.664 23.148 1.00 0.00 ? 50 ARG A HE 1 ATOM 448 H HH11 . ARG A 1 50 ? 52.195 14.583 25.028 1.00 0.00 ? 50 ARG A HH11 1 ATOM 449 H HH12 . ARG A 1 50 ? 53.367 15.809 25.366 1.00 0.00 ? 50 ARG A HH12 1 ATOM 450 H HH21 . ARG A 1 50 ? 52.820 17.568 22.379 1.00 0.00 ? 50 ARG A HH21 1 ATOM 451 H HH22 . ARG A 1 50 ? 53.729 17.515 23.846 1.00 0.00 ? 50 ARG A HH22 1 ATOM 452 N N . GLU A 1 51 ? 46.762 16.436 24.181 1.00 14.77 ? 51 GLU A N 1 ATOM 453 C CA . GLU A 1 51 ? 45.996 15.290 24.650 1.00 12.90 ? 51 GLU A CA 1 ATOM 454 C C . GLU A 1 51 ? 44.496 15.473 24.559 1.00 15.06 ? 51 GLU A C 1 ATOM 455 O O . GLU A 1 51 ? 43.743 14.618 25.038 1.00 14.53 ? 51 GLU A O 1 ATOM 456 C CB . GLU A 1 51 ? 46.390 14.939 26.074 1.00 14.77 ? 51 GLU A CB 1 ATOM 457 C CG . GLU A 1 51 ? 47.774 14.414 26.149 1.00 12.96 ? 51 GLU A CG 1 ATOM 458 C CD . GLU A 1 51 ? 48.270 14.358 27.564 1.00 17.50 ? 51 GLU A CD 1 ATOM 459 O OE1 . GLU A 1 51 ? 47.447 14.478 28.492 1.00 23.34 ? 51 GLU A OE1 1 ATOM 460 O OE2 . GLU A 1 51 ? 49.487 14.232 27.749 1.00 20.45 ? 51 GLU A OE2 1 ATOM 461 H H . GLU A 1 51 ? 47.134 17.068 24.822 1.00 0.00 ? 51 GLU A H 1 ATOM 462 N N . GLY A 1 52 ? 44.059 16.580 23.945 1.00 13.76 ? 52 GLY A N 1 ATOM 463 C CA . GLY A 1 52 ? 42.638 16.850 23.787 1.00 13.73 ? 52 GLY A CA 1 ATOM 464 C C . GLY A 1 52 ? 41.898 17.219 25.072 1.00 14.82 ? 52 GLY A C 1 ATOM 465 O O . GLY A 1 52 ? 40.675 17.095 25.124 1.00 13.74 ? 52 GLY A O 1 ATOM 466 H H . GLY A 1 52 ? 44.700 17.226 23.599 1.00 0.00 ? 52 GLY A H 1 ATOM 467 N N . ARG A 1 53 ? 42.606 17.723 26.085 1.00 13.03 ? 53 ARG A N 1 ATOM 468 C CA . ARG A 1 53 ? 41.945 18.056 27.352 1.00 13.92 ? 53 ARG A CA 1 ATOM 469 C C . ARG A 1 53 ? 41.200 19.376 27.362 1.00 15.31 ? 53 ARG A C 1 ATOM 470 O O . ARG A 1 53 ? 40.148 19.477 27.988 1.00 14.88 ? 53 ARG A O 1 ATOM 471 C CB . ARG A 1 53 ? 42.906 17.909 28.515 1.00 12.64 ? 53 ARG A CB 1 ATOM 472 C CG . ARG A 1 53 ? 43.400 16.468 28.634 1.00 15.06 ? 53 ARG A CG 1 ATOM 473 C CD . ARG A 1 53 ? 44.444 16.325 29.710 1.00 14.31 ? 53 ARG A CD 1 ATOM 474 N NE . ARG A 1 53 ? 45.028 14.993 29.744 1.00 18.66 ? 53 ARG A NE 1 ATOM 475 C CZ . ARG A 1 53 ? 44.433 13.918 30.252 1.00 18.98 ? 53 ARG A CZ 1 ATOM 476 N NH1 . ARG A 1 53 ? 43.221 13.997 30.784 1.00 17.20 ? 53 ARG A NH1 1 ATOM 477 N NH2 . ARG A 1 53 ? 45.064 12.757 30.227 1.00 20.45 ? 53 ARG A NH2 1 ATOM 478 H H . ARG A 1 53 ? 43.568 17.864 25.972 1.00 0.00 ? 53 ARG A H 1 ATOM 479 H HE . ARG A 1 53 ? 45.916 14.902 29.414 1.00 0.00 ? 53 ARG A HE 1 ATOM 480 H HH11 . ARG A 1 53 ? 42.738 14.872 30.816 1.00 0.00 ? 53 ARG A HH11 1 ATOM 481 H HH12 . ARG A 1 53 ? 42.787 13.178 31.158 1.00 0.00 ? 53 ARG A HH12 1 ATOM 482 H HH21 . ARG A 1 53 ? 45.979 12.697 29.829 1.00 0.00 ? 53 ARG A HH21 1 ATOM 483 H HH22 . ARG A 1 53 ? 44.621 11.942 30.600 1.00 0.00 ? 53 ARG A HH22 1 ATOM 484 N N . PHE A 1 54 ? 41.734 20.390 26.677 1.00 14.98 ? 54 PHE A N 1 ATOM 485 C CA . PHE A 1 54 ? 41.022 21.655 26.558 1.00 14.29 ? 54 PHE A CA 1 ATOM 486 C C . PHE A 1 54 ? 39.779 21.411 25.695 1.00 14.03 ? 54 PHE A C 1 ATOM 487 O O . PHE A 1 54 ? 38.726 21.984 25.944 1.00 16.04 ? 54 PHE A O 1 ATOM 488 C CB . PHE A 1 54 ? 41.897 22.710 25.877 1.00 16.23 ? 54 PHE A CB 1 ATOM 489 C CG . PHE A 1 54 ? 42.847 23.393 26.792 1.00 15.84 ? 54 PHE A CG 1 ATOM 490 C CD1 . PHE A 1 54 ? 44.175 23.576 26.423 1.00 17.11 ? 54 PHE A CD1 1 ATOM 491 C CD2 . PHE A 1 54 ? 42.411 23.914 28.012 1.00 16.55 ? 54 PHE A CD2 1 ATOM 492 C CE1 . PHE A 1 54 ? 45.062 24.281 27.255 1.00 16.41 ? 54 PHE A CE1 1 ATOM 493 C CE2 . PHE A 1 54 ? 43.287 24.607 28.835 1.00 13.74 ? 54 PHE A CE2 1 ATOM 494 C CZ . PHE A 1 54 ? 44.610 24.791 28.452 1.00 12.22 ? 54 PHE A CZ 1 ATOM 495 H H . PHE A 1 54 ? 42.610 20.276 26.252 1.00 0.00 ? 54 PHE A H 1 ATOM 496 N N . GLU A 1 55 ? 39.899 20.543 24.684 1.00 14.80 ? 55 GLU A N 1 ATOM 497 C CA . GLU A 1 55 ? 38.774 20.244 23.772 1.00 14.72 ? 55 GLU A CA 1 ATOM 498 C C . GLU A 1 55 ? 37.619 19.564 24.493 1.00 11.16 ? 55 GLU A C 1 ATOM 499 O O . GLU A 1 55 ? 36.450 19.853 24.259 1.00 12.17 ? 55 GLU A O 1 ATOM 500 C CB . GLU A 1 55 ? 39.246 19.348 22.606 1.00 12.33 ? 55 GLU A CB 1 ATOM 501 C CG . GLU A 1 55 ? 38.121 18.837 21.725 1.00 14.40 ? 55 GLU A CG 1 ATOM 502 C CD . GLU A 1 55 ? 38.636 18.063 20.506 1.00 15.64 ? 55 GLU A CD 1 ATOM 503 O OE1 . GLU A 1 55 ? 37.848 17.303 19.923 1.00 17.21 ? 55 GLU A OE1 1 ATOM 504 O OE2 . GLU A 1 55 ? 39.799 18.232 20.110 1.00 15.66 ? 55 GLU A OE2 1 ATOM 505 H H . GLU A 1 55 ? 40.754 20.088 24.544 1.00 0.00 ? 55 GLU A H 1 ATOM 506 N N . ASN A 1 56 ? 37.969 18.653 25.381 1.00 14.69 ? 56 ASN A N 1 ATOM 507 C CA . ASN A 1 56 ? 36.966 17.951 26.151 1.00 17.92 ? 56 ASN A CA 1 ATOM 508 C C . ASN A 1 56 ? 36.206 18.885 27.082 1.00 16.66 ? 56 ASN A C 1 ATOM 509 O O . ASN A 1 56 ? 34.999 18.746 27.221 1.00 16.28 ? 56 ASN A O 1 ATOM 510 C CB . ASN A 1 56 ? 37.592 16.765 26.862 1.00 26.08 ? 56 ASN A CB 1 ATOM 511 C CG . ASN A 1 56 ? 37.753 15.562 25.928 1.00 37.41 ? 56 ASN A CG 1 ATOM 512 O OD1 . ASN A 1 56 ? 38.767 14.860 25.977 1.00 43.79 ? 56 ASN A OD1 1 ATOM 513 N ND2 . ASN A 1 56 ? 36.754 15.336 25.048 1.00 43.03 ? 56 ASN A ND2 1 ATOM 514 H H . ASN A 1 56 ? 38.918 18.454 25.521 1.00 0.00 ? 56 ASN A H 1 ATOM 515 H HD21 . ASN A 1 56 ? 35.973 15.928 25.033 1.00 0.00 ? 56 ASN A HD21 1 ATOM 516 H HD22 . ASN A 1 56 ? 36.855 14.572 24.443 1.00 0.00 ? 56 ASN A HD22 1 ATOM 517 N N . ILE A 1 57 ? 36.876 19.882 27.659 1.00 12.52 ? 57 ILE A N 1 ATOM 518 C CA . ILE A 1 57 ? 36.144 20.833 28.505 1.00 15.15 ? 57 ILE A CA 1 ATOM 519 C C . ILE A 1 57 ? 35.183 21.611 27.581 1.00 15.85 ? 57 ILE A C 1 ATOM 520 O O . ILE A 1 57 ? 34.007 21.799 27.904 1.00 17.02 ? 57 ILE A O 1 ATOM 521 C CB . ILE A 1 57 ? 37.094 21.825 29.222 1.00 15.05 ? 57 ILE A CB 1 ATOM 522 C CG1 . ILE A 1 57 ? 37.930 21.086 30.275 1.00 13.24 ? 57 ILE A CG1 1 ATOM 523 C CG2 . ILE A 1 57 ? 36.274 22.967 29.864 1.00 13.29 ? 57 ILE A CG2 1 ATOM 524 C CD1 . ILE A 1 57 ? 39.061 21.930 30.883 1.00 14.71 ? 57 ILE A CD1 1 ATOM 525 H H . ILE A 1 57 ? 37.841 19.979 27.514 1.00 0.00 ? 57 ILE A H 1 ATOM 526 N N . ALA A 1 58 ? 35.686 22.016 26.411 1.00 17.30 ? 58 ALA A N 1 ATOM 527 C CA . ALA A 1 58 ? 34.901 22.755 25.419 1.00 17.15 ? 58 ALA A CA 1 ATOM 528 C C . ALA A 1 58 ? 33.617 21.989 25.061 1.00 19.23 ? 58 ALA A C 1 ATOM 529 O O . ALA A 1 58 ? 32.548 22.588 24.926 1.00 20.87 ? 58 ALA A O 1 ATOM 530 C CB . ALA A 1 58 ? 35.753 23.015 24.153 1.00 17.62 ? 58 ALA A CB 1 ATOM 531 H H . ALA A 1 58 ? 36.621 21.807 26.209 1.00 0.00 ? 58 ALA A H 1 ATOM 532 N N . ASP A 1 59 ? 33.709 20.664 24.955 1.00 18.80 ? 59 ASP A N 1 ATOM 533 C CA . ASP A 1 59 ? 32.539 19.832 24.638 1.00 19.00 ? 59 ASP A CA 1 ATOM 534 C C . ASP A 1 59 ? 31.403 19.930 25.674 1.00 20.37 ? 59 ASP A C 1 ATOM 535 O O . ASP A 1 59 ? 30.237 20.028 25.308 1.00 22.33 ? 59 ASP A O 1 ATOM 536 C CB . ASP A 1 59 ? 32.942 18.342 24.505 1.00 21.39 ? 59 ASP A CB 1 ATOM 537 C CG . ASP A 1 59 ? 33.655 18.014 23.177 1.00 21.28 ? 59 ASP A CG 1 ATOM 538 O OD1 . ASP A 1 59 ? 33.300 18.584 22.114 1.00 22.84 ? 59 ASP A OD1 1 ATOM 539 O OD2 . ASP A 1 59 ? 34.552 17.148 23.202 1.00 23.20 ? 59 ASP A OD2 1 ATOM 540 H H . ASP A 1 59 ? 34.575 20.231 25.100 1.00 0.00 ? 59 ASP A H 1 ATOM 541 N N . VAL A 1 60 ? 31.742 19.894 26.961 1.00 19.10 ? 60 VAL A N 1 ATOM 542 C CA . VAL A 1 60 ? 30.721 19.917 28.023 1.00 19.76 ? 60 VAL A CA 1 ATOM 543 C C . VAL A 1 60 ? 30.363 21.283 28.639 1.00 16.23 ? 60 VAL A C 1 ATOM 544 O O . VAL A 1 60 ? 29.278 21.450 29.156 1.00 15.15 ? 60 VAL A O 1 ATOM 545 C CB . VAL A 1 60 ? 31.063 18.915 29.150 1.00 16.77 ? 60 VAL A CB 1 ATOM 546 C CG1 . VAL A 1 60 ? 30.995 17.498 28.627 1.00 22.04 ? 60 VAL A CG1 1 ATOM 547 C CG2 . VAL A 1 60 ? 32.447 19.187 29.684 1.00 16.09 ? 60 VAL A CG2 1 ATOM 548 H H . VAL A 1 60 ? 32.691 19.860 27.207 1.00 0.00 ? 60 VAL A H 1 ATOM 549 N N . VAL A 1 61 ? 31.258 22.262 28.543 1.00 17.44 ? 61 VAL A N 1 ATOM 550 C CA . VAL A 1 61 ? 30.972 23.576 29.104 1.00 19.78 ? 61 VAL A CA 1 ATOM 551 C C . VAL A 1 61 ? 29.758 24.243 28.418 1.00 23.09 ? 61 VAL A C 1 ATOM 552 O O . VAL A 1 61 ? 29.496 24.042 27.221 1.00 24.71 ? 61 VAL A O 1 ATOM 553 C CB . VAL A 1 61 ? 32.230 24.485 29.059 1.00 20.42 ? 61 VAL A CB 1 ATOM 554 C CG1 . VAL A 1 61 ? 32.429 25.067 27.655 1.00 18.06 ? 61 VAL A CG1 1 ATOM 555 C CG2 . VAL A 1 61 ? 32.142 25.578 30.144 1.00 17.52 ? 61 VAL A CG2 1 ATOM 556 H H . VAL A 1 61 ? 32.096 22.097 28.075 1.00 0.00 ? 61 VAL A H 1 ATOM 557 N N . THR A 1 62 ? 28.948 24.936 29.208 1.00 21.92 ? 62 THR A N 1 ATOM 558 C CA . THR A 1 62 ? 27.781 25.624 28.680 1.00 23.11 ? 62 THR A CA 1 ATOM 559 C C . THR A 1 62 ? 27.854 27.095 29.103 1.00 22.66 ? 62 THR A C 1 ATOM 560 O O . THR A 1 62 ? 28.708 27.492 29.919 1.00 19.12 ? 62 THR A O 1 ATOM 561 C CB . THR A 1 62 ? 26.447 24.987 29.169 1.00 24.74 ? 62 THR A CB 1 ATOM 562 O OG1 . THR A 1 62 ? 26.412 24.949 30.600 1.00 24.52 ? 62 THR A OG1 1 ATOM 563 C CG2 . THR A 1 62 ? 26.304 23.576 28.661 1.00 26.41 ? 62 THR A CG2 1 ATOM 564 H H . THR A 1 62 ? 29.168 25.006 30.144 1.00 0.00 ? 62 THR A H 1 ATOM 565 H HG1 . THR A 1 62 ? 26.518 25.835 30.953 1.00 0.00 ? 62 THR A HG1 1 ATOM 566 N N . ALA A 1 63 ? 26.982 27.903 28.512 1.00 21.69 ? 63 ALA A N 1 ATOM 567 C CA . ALA A 1 63 ? 26.935 29.331 28.817 1.00 22.70 ? 63 ALA A CA 1 ATOM 568 C C . ALA A 1 63 ? 26.757 29.555 30.317 1.00 22.52 ? 63 ALA A C 1 ATOM 569 O O . ALA A 1 63 ? 25.915 28.924 30.956 1.00 21.00 ? 63 ALA A O 1 ATOM 570 C CB . ALA A 1 63 ? 25.800 29.992 28.057 1.00 20.00 ? 63 ALA A CB 1 ATOM 571 H H . ALA A 1 63 ? 26.358 27.535 27.852 1.00 0.00 ? 63 ALA A H 1 ATOM 572 N N . GLY A 1 64 ? 27.569 30.436 30.882 1.00 22.63 ? 64 GLY A N 1 ATOM 573 C CA . GLY A 1 64 ? 27.445 30.710 32.302 1.00 21.98 ? 64 GLY A CA 1 ATOM 574 C C . GLY A 1 64 ? 28.435 29.958 33.162 1.00 23.37 ? 64 GLY A C 1 ATOM 575 O O . GLY A 1 64 ? 28.637 30.324 34.326 1.00 25.80 ? 64 GLY A O 1 ATOM 576 H H . GLY A 1 64 ? 28.253 30.893 30.354 1.00 0.00 ? 64 GLY A H 1 ATOM 577 N N . ASP A 1 65 ? 29.051 28.906 32.619 1.00 20.34 ? 65 ASP A N 1 ATOM 578 C CA . ASP A 1 65 ? 30.039 28.157 33.392 1.00 18.41 ? 65 ASP A CA 1 ATOM 579 C C . ASP A 1 65 ? 31.347 28.924 33.441 1.00 17.77 ? 65 ASP A C 1 ATOM 580 O O . ASP A 1 65 ? 31.542 29.888 32.694 1.00 16.18 ? 65 ASP A O 1 ATOM 581 C CB . ASP A 1 65 ? 30.298 26.769 32.782 1.00 17.50 ? 65 ASP A CB 1 ATOM 582 C CG . ASP A 1 65 ? 29.095 25.826 32.889 1.00 21.63 ? 65 ASP A CG 1 ATOM 583 O OD1 . ASP A 1 65 ? 29.010 24.911 32.044 1.00 22.28 ? 65 ASP A OD1 1 ATOM 584 O OD2 . ASP A 1 65 ? 28.238 25.976 33.791 1.00 16.40 ? 65 ASP A OD2 1 ATOM 585 H H . ASP A 1 65 ? 28.849 28.635 31.701 1.00 0.00 ? 65 ASP A H 1 ATOM 586 N N . TYR A 1 66 ? 32.238 28.497 34.334 1.00 17.00 ? 66 TYR A N 1 ATOM 587 C CA . TYR A 1 66 ? 33.561 29.100 34.475 1.00 16.22 ? 66 TYR A CA 1 ATOM 588 C C . TYR A 1 66 ? 34.611 28.045 34.137 1.00 14.56 ? 66 TYR A C 1 ATOM 589 O O . TYR A 1 66 ? 34.396 26.851 34.333 1.00 14.54 ? 66 TYR A O 1 ATOM 590 C CB . TYR A 1 66 ? 33.831 29.546 35.924 1.00 18.49 ? 66 TYR A CB 1 ATOM 591 C CG . TYR A 1 66 ? 32.960 30.656 36.437 1.00 19.53 ? 66 TYR A CG 1 ATOM 592 C CD1 . TYR A 1 66 ? 31.713 30.385 36.962 1.00 19.99 ? 66 TYR A CD1 1 ATOM 593 C CD2 . TYR A 1 66 ? 33.389 31.987 36.386 1.00 23.70 ? 66 TYR A CD2 1 ATOM 594 C CE1 . TYR A 1 66 ? 30.894 31.401 37.431 1.00 25.18 ? 66 TYR A CE1 1 ATOM 595 C CE2 . TYR A 1 66 ? 32.577 33.022 36.845 1.00 22.31 ? 66 TYR A CE2 1 ATOM 596 C CZ . TYR A 1 66 ? 31.332 32.720 37.364 1.00 26.19 ? 66 TYR A CZ 1 ATOM 597 O OH . TYR A 1 66 ? 30.496 33.729 37.779 1.00 29.06 ? 66 TYR A OH 1 ATOM 598 H H . TYR A 1 66 ? 32.009 27.753 34.923 1.00 0.00 ? 66 TYR A H 1 ATOM 599 H HH . TYR A 1 66 ? 29.672 33.356 38.100 1.00 0.00 ? 66 TYR A HH 1 ATOM 600 N N . VAL A 1 67 ? 35.746 28.502 33.631 1.00 13.84 ? 67 VAL A N 1 ATOM 601 C CA . VAL A 1 67 ? 36.866 27.634 33.336 1.00 12.55 ? 67 VAL A CA 1 ATOM 602 C C . VAL A 1 67 ? 38.046 28.415 33.882 1.00 13.90 ? 67 VAL A C 1 ATOM 603 O O . VAL A 1 67 ? 38.234 29.589 33.545 1.00 15.81 ? 67 VAL A O 1 ATOM 604 C CB . VAL A 1 67 ? 37.075 27.373 31.793 1.00 13.69 ? 67 VAL A CB 1 ATOM 605 C CG1 . VAL A 1 67 ? 38.244 26.419 31.577 1.00 14.19 ? 67 VAL A CG1 1 ATOM 606 C CG2 . VAL A 1 67 ? 35.801 26.785 31.166 1.00 13.74 ? 67 VAL A CG2 1 ATOM 607 H H . VAL A 1 67 ? 35.840 29.458 33.447 1.00 0.00 ? 67 VAL A H 1 ATOM 608 N N . ILE A 1 68 ? 38.795 27.786 34.781 1.00 15.67 ? 68 ILE A N 1 ATOM 609 C CA . ILE A 1 68 ? 39.976 28.389 35.381 1.00 15.53 ? 68 ILE A CA 1 ATOM 610 C C . ILE A 1 68 ? 41.161 27.609 34.841 1.00 16.66 ? 68 ILE A C 1 ATOM 611 O O . ILE A 1 68 ? 41.242 26.401 35.027 1.00 16.00 ? 68 ILE A O 1 ATOM 612 C CB . ILE A 1 68 ? 39.929 28.295 36.926 1.00 17.44 ? 68 ILE A CB 1 ATOM 613 C CG1 . ILE A 1 68 ? 38.745 29.116 37.469 1.00 19.90 ? 68 ILE A CG1 1 ATOM 614 C CG2 . ILE A 1 68 ? 41.242 28.751 37.496 1.00 16.53 ? 68 ILE A CG2 1 ATOM 615 C CD1 . ILE A 1 68 ? 38.486 28.944 38.969 1.00 21.56 ? 68 ILE A CD1 1 ATOM 616 H H . ILE A 1 68 ? 38.562 26.887 35.048 1.00 0.00 ? 68 ILE A H 1 ATOM 617 N N . VAL A 1 69 ? 42.078 28.311 34.187 1.00 13.17 ? 69 VAL A N 1 ATOM 618 C CA . VAL A 1 69 ? 43.234 27.703 33.566 1.00 12.83 ? 69 VAL A CA 1 ATOM 619 C C . VAL A 1 69 ? 44.493 28.208 34.224 1.00 14.20 ? 69 VAL A C 1 ATOM 620 O O . VAL A 1 69 ? 44.729 29.410 34.292 1.00 15.80 ? 69 VAL A O 1 ATOM 621 C CB . VAL A 1 69 ? 43.254 28.048 32.057 1.00 13.47 ? 69 VAL A CB 1 ATOM 622 C CG1 . VAL A 1 69 ? 44.470 27.468 31.369 1.00 10.27 ? 69 VAL A CG1 1 ATOM 623 C CG2 . VAL A 1 69 ? 41.978 27.571 31.426 1.00 12.19 ? 69 VAL A CG2 1 ATOM 624 H H . VAL A 1 69 ? 41.973 29.278 34.123 1.00 0.00 ? 69 VAL A H 1 ATOM 625 N N . GLU A 1 70 ? 45.332 27.281 34.671 1.00 14.05 ? 70 GLU A N 1 ATOM 626 C CA . GLU A 1 70 ? 46.556 27.667 35.346 1.00 14.25 ? 70 GLU A CA 1 ATOM 627 C C . GLU A 1 70 ? 47.696 26.717 35.025 1.00 13.22 ? 70 GLU A C 1 ATOM 628 O O . GLU A 1 70 ? 47.698 25.577 35.475 1.00 14.61 ? 70 GLU A O 1 ATOM 629 C CB . GLU A 1 70 ? 46.319 27.716 36.862 1.00 14.21 ? 70 GLU A CB 1 ATOM 630 C CG . GLU A 1 70 ? 47.555 28.109 37.673 1.00 14.18 ? 70 GLU A CG 1 ATOM 631 C CD . GLU A 1 70 ? 47.266 28.186 39.167 1.00 16.56 ? 70 GLU A CD 1 ATOM 632 O OE1 . GLU A 1 70 ? 47.774 27.336 39.912 1.00 16.99 ? 70 GLU A OE1 1 ATOM 633 O OE2 . GLU A 1 70 ? 46.527 29.099 39.589 1.00 16.39 ? 70 GLU A OE2 1 ATOM 634 H H . GLU A 1 70 ? 45.130 26.335 34.538 1.00 0.00 ? 70 GLU A H 1 ATOM 635 N N . PHE A 1 71 ? 48.634 27.181 34.203 1.00 12.59 ? 71 PHE A N 1 ATOM 636 C CA . PHE A 1 71 ? 49.803 26.385 33.813 1.00 13.22 ? 71 PHE A CA 1 ATOM 637 C C . PHE A 1 71 ? 51.082 27.211 33.945 1.00 14.54 ? 71 PHE A C 1 ATOM 638 O O . PHE A 1 71 ? 51.044 28.430 34.175 1.00 19.05 ? 71 PHE A O 1 ATOM 639 C CB . PHE A 1 71 ? 49.685 25.871 32.361 1.00 11.25 ? 71 PHE A CB 1 ATOM 640 C CG . PHE A 1 71 ? 48.631 24.826 32.173 1.00 11.64 ? 71 PHE A CG 1 ATOM 641 C CD1 . PHE A 1 71 ? 47.373 25.171 31.719 1.00 9.74 ? 71 PHE A CD1 1 ATOM 642 C CD2 . PHE A 1 71 ? 48.890 23.488 32.471 1.00 13.29 ? 71 PHE A CD2 1 ATOM 643 C CE1 . PHE A 1 71 ? 46.373 24.205 31.563 1.00 10.21 ? 71 PHE A CE1 1 ATOM 644 C CE2 . PHE A 1 71 ? 47.878 22.507 32.312 1.00 9.99 ? 71 PHE A CE2 1 ATOM 645 C CZ . PHE A 1 71 ? 46.638 22.878 31.864 1.00 11.53 ? 71 PHE A CZ 1 ATOM 646 H H . PHE A 1 71 ? 48.537 28.081 33.843 1.00 0.00 ? 71 PHE A H 1 ATOM 647 N N . GLY A 1 72 ? 52.215 26.540 33.806 1.00 12.71 ? 72 GLY A N 1 ATOM 648 C CA . GLY A 1 72 ? 53.492 27.222 33.882 1.00 12.18 ? 72 GLY A CA 1 ATOM 649 C C . GLY A 1 72 ? 54.603 26.361 34.434 1.00 13.69 ? 72 GLY A C 1 ATOM 650 O O . GLY A 1 72 ? 55.730 26.430 33.938 1.00 13.25 ? 72 GLY A O 1 ATOM 651 H H . GLY A 1 72 ? 52.196 25.574 33.650 1.00 0.00 ? 72 GLY A H 1 ATOM 652 N N . HIS A 1 73 ? 54.289 25.546 35.454 1.00 14.89 ? 73 HIS A N 1 ATOM 653 C CA . HIS A 1 73 ? 55.292 24.684 36.085 1.00 12.43 ? 73 HIS A CA 1 ATOM 654 C C . HIS A 1 73 ? 56.026 23.745 35.155 1.00 13.50 ? 73 HIS A C 1 ATOM 655 O O . HIS A 1 73 ? 57.228 23.533 35.306 1.00 13.20 ? 73 HIS A O 1 ATOM 656 C CB . HIS A 1 73 ? 54.676 23.844 37.209 1.00 14.01 ? 73 HIS A CB 1 ATOM 657 C CG . HIS A 1 73 ? 54.527 24.580 38.505 1.00 14.84 ? 73 HIS A CG 1 ATOM 658 N ND1 . HIS A 1 73 ? 55.585 24.802 39.363 1.00 16.80 ? 73 HIS A ND1 1 ATOM 659 C CD2 . HIS A 1 73 ? 53.448 25.166 39.078 1.00 12.92 ? 73 HIS A CD2 1 ATOM 660 C CE1 . HIS A 1 73 ? 55.165 25.493 40.408 1.00 13.31 ? 73 HIS A CE1 1 ATOM 661 N NE2 . HIS A 1 73 ? 53.873 25.725 40.260 1.00 14.28 ? 73 HIS A NE2 1 ATOM 662 H H . HIS A 1 73 ? 53.367 25.528 35.784 1.00 0.00 ? 73 HIS A H 1 ATOM 663 H HD1 . HIS A 1 73 ? 56.512 24.518 39.221 1.00 0.00 ? 73 HIS A HD1 1 ATOM 664 H HE2 . HIS A 1 73 ? 53.307 26.211 40.896 1.00 0.00 ? 73 HIS A HE2 1 ATOM 665 N N . ASN A 1 74 ? 55.294 23.148 34.223 1.00 14.41 ? 74 ASN A N 1 ATOM 666 C CA . ASN A 1 74 ? 55.873 22.185 33.289 1.00 15.15 ? 74 ASN A CA 1 ATOM 667 C C . ASN A 1 74 ? 56.151 22.731 31.887 1.00 19.25 ? 74 ASN A C 1 ATOM 668 O O . ASN A 1 74 ? 56.538 21.991 30.988 1.00 18.65 ? 74 ASN A O 1 ATOM 669 C CB . ASN A 1 74 ? 54.892 21.034 33.179 1.00 15.18 ? 74 ASN A CB 1 ATOM 670 C CG . ASN A 1 74 ? 54.721 20.320 34.493 1.00 17.18 ? 74 ASN A CG 1 ATOM 671 O OD1 . ASN A 1 74 ? 55.709 20.056 35.175 1.00 19.97 ? 74 ASN A OD1 1 ATOM 672 N ND2 . ASN A 1 74 ? 53.485 20.015 34.866 1.00 14.26 ? 74 ASN A ND2 1 ATOM 673 H H . ASN A 1 74 ? 54.343 23.366 34.161 1.00 0.00 ? 74 ASN A H 1 ATOM 674 H HD21 . ASN A 1 74 ? 52.746 20.264 34.278 1.00 0.00 ? 74 ASN A HD21 1 ATOM 675 H HD22 . ASN A 1 74 ? 53.365 19.549 35.718 1.00 0.00 ? 74 ASN A HD22 1 ATOM 676 N N . ASP A 1 75 ? 56.005 24.036 31.727 1.00 20.60 ? 75 ASP A N 1 ATOM 677 C CA . ASP A 1 75 ? 56.138 24.675 30.431 1.00 18.58 ? 75 ASP A CA 1 ATOM 678 C C . ASP A 1 75 ? 57.520 25.072 29.916 1.00 20.89 ? 75 ASP A C 1 ATOM 679 O O . ASP A 1 75 ? 57.691 25.318 28.714 1.00 20.64 ? 75 ASP A O 1 ATOM 680 C CB . ASP A 1 75 ? 55.141 25.834 30.373 1.00 14.61 ? 75 ASP A CB 1 ATOM 681 C CG . ASP A 1 75 ? 53.691 25.353 30.356 1.00 15.28 ? 75 ASP A CG 1 ATOM 682 O OD1 . ASP A 1 75 ? 53.077 25.250 29.273 1.00 18.84 ? 75 ASP A OD1 1 ATOM 683 O OD2 . ASP A 1 75 ? 53.140 25.050 31.423 1.00 14.85 ? 75 ASP A OD2 1 ATOM 684 H H . ASP A 1 75 ? 55.798 24.593 32.506 1.00 0.00 ? 75 ASP A H 1 ATOM 685 N N . GLY A 1 76 ? 58.507 25.123 30.803 1.00 16.41 ? 76 GLY A N 1 ATOM 686 C CA . GLY A 1 76 ? 59.844 25.484 30.385 1.00 17.79 ? 76 GLY A CA 1 ATOM 687 C C . GLY A 1 76 ? 60.640 24.294 29.878 1.00 17.94 ? 76 GLY A C 1 ATOM 688 O O . GLY A 1 76 ? 60.085 23.262 29.494 1.00 18.08 ? 76 GLY A O 1 ATOM 689 H H . GLY A 1 76 ? 58.282 24.941 31.732 1.00 0.00 ? 76 GLY A H 1 ATOM 690 N N . GLY A 1 77 ? 61.954 24.442 29.908 1.00 19.17 ? 77 GLY A N 1 ATOM 691 C CA . GLY A 1 77 ? 62.829 23.381 29.463 1.00 22.79 ? 77 GLY A CA 1 ATOM 692 C C . GLY A 1 77 ? 63.377 23.694 28.091 1.00 25.67 ? 77 GLY A C 1 ATOM 693 O O . GLY A 1 77 ? 63.181 24.793 27.570 1.00 25.07 ? 77 GLY A O 1 ATOM 694 H H . GLY A 1 77 ? 62.341 25.280 30.237 1.00 0.00 ? 77 GLY A H 1 ATOM 695 N N . SER A 1 78 ? 64.047 22.706 27.504 1.00 28.36 ? 78 SER A N 1 ATOM 696 C CA . SER A 1 78 ? 64.647 22.833 26.180 1.00 29.23 ? 78 SER A CA 1 ATOM 697 C C . SER A 1 78 ? 64.016 21.885 25.156 1.00 28.29 ? 78 SER A C 1 ATOM 698 O O . SER A 1 78 ? 63.849 20.692 25.410 1.00 24.49 ? 78 SER A O 1 ATOM 699 C CB . SER A 1 78 ? 66.142 22.558 26.266 1.00 30.50 ? 78 SER A CB 1 ATOM 700 O OG . SER A 1 78 ? 66.711 22.523 24.973 1.00 39.67 ? 78 SER A OG 1 ATOM 701 H H . SER A 1 78 ? 64.144 21.855 27.980 1.00 0.00 ? 78 SER A H 1 ATOM 702 H HG . SER A 1 78 ? 66.540 23.349 24.515 1.00 0.00 ? 78 SER A HG 1 ATOM 703 N N . LEU A 1 79 ? 63.737 22.422 23.973 1.00 27.79 ? 79 LEU A N 1 ATOM 704 C CA . LEU A 1 79 ? 63.137 21.660 22.889 1.00 27.09 ? 79 LEU A CA 1 ATOM 705 C C . LEU A 1 79 ? 64.140 20.741 22.170 1.00 27.67 ? 79 LEU A C 1 ATOM 706 O O . LEU A 1 79 ? 63.737 19.858 21.405 1.00 29.73 ? 79 LEU A O 1 ATOM 707 C CB . LEU A 1 79 ? 62.426 22.619 21.924 1.00 25.16 ? 79 LEU A CB 1 ATOM 708 C CG . LEU A 1 79 ? 60.962 22.344 21.561 1.00 23.63 ? 79 LEU A CG 1 ATOM 709 C CD1 . LEU A 1 79 ? 60.132 21.899 22.742 1.00 21.52 ? 79 LEU A CD1 1 ATOM 710 C CD2 . LEU A 1 79 ? 60.361 23.588 20.913 1.00 24.90 ? 79 LEU A CD2 1 ATOM 711 H H . LEU A 1 79 ? 63.950 23.367 23.825 1.00 0.00 ? 79 LEU A H 1 ATOM 712 N N . SER A 1 80 ? 65.432 20.924 22.458 1.00 28.93 ? 80 SER A N 1 ATOM 713 C CA . SER A 1 80 ? 66.521 20.100 21.895 1.00 31.35 ? 80 SER A CA 1 ATOM 714 C C . SER A 1 80 ? 66.425 18.666 22.440 1.00 32.49 ? 80 SER A C 1 ATOM 715 O O . SER A 1 80 ? 66.863 17.718 21.802 1.00 35.58 ? 80 SER A O 1 ATOM 716 C CB . SER A 1 80 ? 67.884 20.672 22.286 1.00 30.70 ? 80 SER A CB 1 ATOM 717 O OG . SER A 1 80 ? 67.892 22.089 22.200 1.00 36.18 ? 80 SER A OG 1 ATOM 718 H H . SER A 1 80 ? 65.675 21.644 23.076 1.00 0.00 ? 80 SER A H 1 ATOM 719 H HG . SER A 1 80 ? 68.761 22.420 22.440 1.00 0.00 ? 80 SER A HG 1 ATOM 720 N N . THR A 1 81 ? 65.934 18.538 23.669 1.00 30.08 ? 81 THR A N 1 ATOM 721 C CA . THR A 1 81 ? 65.725 17.247 24.311 1.00 29.49 ? 81 THR A CA 1 ATOM 722 C C . THR A 1 81 ? 64.239 17.306 24.681 1.00 29.57 ? 81 THR A C 1 ATOM 723 O O . THR A 1 81 ? 63.877 17.318 25.867 1.00 31.90 ? 81 THR A O 1 ATOM 724 C CB . THR A 1 81 ? 66.590 17.100 25.576 1.00 28.72 ? 81 THR A CB 1 ATOM 725 O OG1 . THR A 1 81 ? 66.265 18.149 26.499 1.00 29.97 ? 81 THR A OG1 1 ATOM 726 C CG2 . THR A 1 81 ? 68.083 17.199 25.215 1.00 29.11 ? 81 THR A CG2 1 ATOM 727 H H . THR A 1 81 ? 65.704 19.350 24.168 1.00 0.00 ? 81 THR A H 1 ATOM 728 H HG1 . THR A 1 81 ? 66.431 19.001 26.087 1.00 0.00 ? 81 THR A HG1 1 ATOM 729 N N . ASP A 1 82 ? 63.393 17.348 23.648 1.00 25.61 ? 82 ASP A N 1 ATOM 730 C CA . ASP A 1 82 ? 61.941 17.463 23.791 1.00 24.09 ? 82 ASP A CA 1 ATOM 731 C C . ASP A 1 82 ? 61.267 16.423 24.682 1.00 24.72 ? 82 ASP A C 1 ATOM 732 O O . ASP A 1 82 ? 61.218 15.249 24.343 1.00 22.85 ? 82 ASP A O 1 ATOM 733 C CB . ASP A 1 82 ? 61.282 17.482 22.405 1.00 24.06 ? 82 ASP A CB 1 ATOM 734 C CG . ASP A 1 82 ? 59.813 17.855 22.448 1.00 22.57 ? 82 ASP A CG 1 ATOM 735 O OD1 . ASP A 1 82 ? 59.325 18.305 23.499 1.00 21.97 ? 82 ASP A OD1 1 ATOM 736 O OD2 . ASP A 1 82 ? 59.141 17.725 21.404 1.00 21.64 ? 82 ASP A OD2 1 ATOM 737 H H . ASP A 1 82 ? 63.771 17.297 22.745 1.00 0.00 ? 82 ASP A H 1 ATOM 738 N N . ASN A 1 83 ? 60.713 16.890 25.805 1.00 23.80 ? 83 ASN A N 1 ATOM 739 C CA . ASN A 1 83 ? 60.013 16.032 26.767 1.00 22.23 ? 83 ASN A CA 1 ATOM 740 C C . ASN A 1 83 ? 58.498 15.975 26.531 1.00 19.23 ? 83 ASN A C 1 ATOM 741 O O . ASN A 1 83 ? 57.770 15.391 27.317 1.00 19.49 ? 83 ASN A O 1 ATOM 742 C CB . ASN A 1 83 ? 60.309 16.488 28.216 1.00 24.56 ? 83 ASN A CB 1 ATOM 743 C CG . ASN A 1 83 ? 59.806 17.902 28.514 1.00 21.77 ? 83 ASN A CG 1 ATOM 744 O OD1 . ASN A 1 83 ? 59.084 18.506 27.723 1.00 19.66 ? 83 ASN A OD1 1 ATOM 745 N ND2 . ASN A 1 83 ? 60.183 18.426 29.677 1.00 22.62 ? 83 ASN A ND2 1 ATOM 746 H H . ASN A 1 83 ? 60.773 17.849 25.990 1.00 0.00 ? 83 ASN A H 1 ATOM 747 H HD21 . ASN A 1 83 ? 60.745 17.882 30.268 1.00 0.00 ? 83 ASN A HD21 1 ATOM 748 H HD22 . ASN A 1 83 ? 59.889 19.332 29.890 1.00 0.00 ? 83 ASN A HD22 1 ATOM 749 N N . GLY A 1 84 ? 58.035 16.593 25.451 1.00 16.13 ? 84 GLY A N 1 ATOM 750 C CA . GLY A 1 84 ? 56.620 16.591 25.126 1.00 16.10 ? 84 GLY A CA 1 ATOM 751 C C . GLY A 1 84 ? 55.808 17.669 25.812 1.00 15.53 ? 84 GLY A C 1 ATOM 752 O O . GLY A 1 84 ? 54.633 17.873 25.480 1.00 14.94 ? 84 GLY A O 1 ATOM 753 H H . GLY A 1 84 ? 58.669 17.039 24.867 1.00 0.00 ? 84 GLY A H 1 ATOM 754 N N . ARG A 1 85 ? 56.464 18.424 26.686 1.00 16.12 ? 85 ARG A N 1 ATOM 755 C CA . ARG A 1 85 ? 55.786 19.472 27.453 1.00 18.54 ? 85 ARG A CA 1 ATOM 756 C C . ARG A 1 85 ? 56.178 20.895 27.115 1.00 16.50 ? 85 ARG A C 1 ATOM 757 O O . ARG A 1 85 ? 55.333 21.780 27.137 1.00 17.97 ? 85 ARG A O 1 ATOM 758 C CB . ARG A 1 85 ? 56.006 19.272 28.965 1.00 19.30 ? 85 ARG A CB 1 ATOM 759 C CG . ARG A 1 85 ? 54.986 18.383 29.614 1.00 23.36 ? 85 ARG A CG 1 ATOM 760 C CD . ARG A 1 85 ? 55.286 16.920 29.346 1.00 31.25 ? 85 ARG A CD 1 ATOM 761 N NE . ARG A 1 85 ? 55.309 16.206 30.614 1.00 39.66 ? 85 ARG A NE 1 ATOM 762 C CZ . ARG A 1 85 ? 56.319 15.469 31.057 1.00 40.88 ? 85 ARG A CZ 1 ATOM 763 N NH1 . ARG A 1 85 ? 57.408 15.309 30.316 1.00 40.83 ? 85 ARG A NH1 1 ATOM 764 N NH2 . ARG A 1 85 ? 56.286 15.002 32.305 1.00 44.05 ? 85 ARG A NH2 1 ATOM 765 H H . ARG A 1 85 ? 57.418 18.283 26.806 1.00 0.00 ? 85 ARG A H 1 ATOM 766 H HE . ARG A 1 85 ? 54.518 16.260 31.184 1.00 0.00 ? 85 ARG A HE 1 ATOM 767 H HH11 . ARG A 1 85 ? 57.482 15.737 29.417 1.00 0.00 ? 85 ARG A HH11 1 ATOM 768 H HH12 . ARG A 1 85 ? 58.160 14.748 30.664 1.00 0.00 ? 85 ARG A HH12 1 ATOM 769 H HH21 . ARG A 1 85 ? 55.502 15.213 32.891 1.00 0.00 ? 85 ARG A HH21 1 ATOM 770 H HH22 . ARG A 1 85 ? 57.038 14.445 32.657 1.00 0.00 ? 85 ARG A HH22 1 ATOM 771 N N . THR A 1 86 ? 57.467 21.105 26.870 1.00 18.42 ? 86 THR A N 1 ATOM 772 C CA . THR A 1 86 ? 58.016 22.421 26.575 1.00 18.22 ? 86 THR A CA 1 ATOM 773 C C . THR A 1 86 ? 57.292 23.114 25.423 1.00 19.63 ? 86 THR A C 1 ATOM 774 O O . THR A 1 86 ? 57.059 22.499 24.374 1.00 19.38 ? 86 THR A O 1 ATOM 775 C CB . THR A 1 86 ? 59.517 22.312 26.230 1.00 17.95 ? 86 THR A CB 1 ATOM 776 O OG1 . THR A 1 86 ? 60.197 21.641 27.294 1.00 18.83 ? 86 THR A OG1 1 ATOM 777 C CG2 . THR A 1 86 ? 60.129 23.688 26.070 1.00 14.95 ? 86 THR A CG2 1 ATOM 778 H H . THR A 1 86 ? 58.076 20.337 26.886 1.00 0.00 ? 86 THR A H 1 ATOM 779 H HG1 . THR A 1 86 ? 59.819 20.767 27.420 1.00 0.00 ? 86 THR A HG1 1 ATOM 780 N N . ASP A 1 87 ? 56.888 24.363 25.647 1.00 17.55 ? 87 ASP A N 1 ATOM 781 C CA . ASP A 1 87 ? 56.214 25.152 24.624 1.00 18.09 ? 87 ASP A CA 1 ATOM 782 C C . ASP A 1 87 ? 57.263 25.838 23.772 1.00 19.60 ? 87 ASP A C 1 ATOM 783 O O . ASP A 1 87 ? 58.463 25.855 24.118 1.00 17.69 ? 87 ASP A O 1 ATOM 784 C CB . ASP A 1 87 ? 55.346 26.248 25.224 1.00 16.74 ? 87 ASP A CB 1 ATOM 785 C CG . ASP A 1 87 ? 54.385 25.730 26.270 1.00 23.09 ? 87 ASP A CG 1 ATOM 786 O OD1 . ASP A 1 87 ? 54.548 26.145 27.430 1.00 20.65 ? 87 ASP A OD1 1 ATOM 787 O OD2 . ASP A 1 87 ? 53.477 24.937 25.936 1.00 19.83 ? 87 ASP A OD2 1 ATOM 788 H H . ASP A 1 87 ? 57.053 24.756 26.531 1.00 0.00 ? 87 ASP A H 1 ATOM 789 N N . CYS A 1 88 ? 56.810 26.395 22.647 1.00 18.90 ? 88 CYS A N 1 ATOM 790 C CA . CYS A 1 88 ? 57.699 27.129 21.760 1.00 19.28 ? 88 CYS A CA 1 ATOM 791 C C . CYS A 1 88 ? 58.014 28.478 22.468 1.00 18.01 ? 88 CYS A C 1 ATOM 792 O O . CYS A 1 88 ? 57.156 29.023 23.168 1.00 19.17 ? 88 CYS A O 1 ATOM 793 C CB . CYS A 1 88 ? 56.987 27.365 20.413 1.00 18.24 ? 88 CYS A CB 1 ATOM 794 S SG . CYS A 1 88 ? 58.013 28.156 19.128 1.00 18.26 ? 88 CYS A SG 1 ATOM 795 H H . CYS A 1 88 ? 55.868 26.308 22.408 1.00 0.00 ? 88 CYS A H 1 ATOM 796 N N . SER A 1 89 ? 59.236 28.986 22.323 1.00 17.09 ? 89 SER A N 1 ATOM 797 C CA . SER A 1 89 ? 59.594 30.280 22.917 1.00 21.53 ? 89 SER A CA 1 ATOM 798 C C . SER A 1 89 ? 58.859 31.433 22.230 1.00 22.02 ? 89 SER A C 1 ATOM 799 O O . SER A 1 89 ? 58.560 31.370 21.030 1.00 24.10 ? 89 SER A O 1 ATOM 800 C CB . SER A 1 89 ? 61.091 30.550 22.789 1.00 20.54 ? 89 SER A CB 1 ATOM 801 O OG . SER A 1 89 ? 61.825 29.691 23.614 1.00 27.61 ? 89 SER A OG 1 ATOM 802 H H . SER A 1 89 ? 59.907 28.487 21.809 1.00 0.00 ? 89 SER A H 1 ATOM 803 H HG . SER A 1 89 ? 62.762 29.827 23.457 1.00 0.00 ? 89 SER A HG 1 ATOM 804 N N . GLY A 1 90 ? 58.606 32.503 22.975 1.00 20.10 ? 90 GLY A N 1 ATOM 805 C CA . GLY A 1 90 ? 57.934 33.632 22.382 1.00 19.87 ? 90 GLY A CA 1 ATOM 806 C C . GLY A 1 90 ? 56.661 33.975 23.103 1.00 21.30 ? 90 GLY A C 1 ATOM 807 O O . GLY A 1 90 ? 56.179 33.211 23.934 1.00 24.54 ? 90 GLY A O 1 ATOM 808 H H . GLY A 1 90 ? 58.870 32.525 23.915 1.00 0.00 ? 90 GLY A H 1 ATOM 809 N N . THR A 1 91 ? 56.080 35.109 22.745 1.00 21.68 ? 91 THR A N 1 ATOM 810 C CA . THR A 1 91 ? 54.859 35.564 23.389 1.00 23.10 ? 91 THR A CA 1 ATOM 811 C C . THR A 1 91 ? 53.709 35.613 22.400 1.00 22.92 ? 91 THR A C 1 ATOM 812 O O . THR A 1 91 ? 52.560 35.788 22.803 1.00 25.70 ? 91 THR A O 1 ATOM 813 C CB . THR A 1 91 ? 55.045 36.987 23.951 1.00 23.95 ? 91 THR A CB 1 ATOM 814 O OG1 . THR A 1 91 ? 55.342 37.875 22.865 1.00 27.11 ? 91 THR A OG1 1 ATOM 815 C CG2 . THR A 1 91 ? 56.203 37.036 24.938 1.00 25.21 ? 91 THR A CG2 1 ATOM 816 H H . THR A 1 91 ? 56.475 35.656 22.034 1.00 0.00 ? 91 THR A H 1 ATOM 817 H HG1 . THR A 1 91 ? 56.135 37.577 22.415 1.00 0.00 ? 91 THR A HG1 1 ATOM 818 N N . GLY A 1 92 ? 54.011 35.498 21.109 1.00 21.70 ? 92 GLY A N 1 ATOM 819 C CA . GLY A 1 92 ? 52.960 35.580 20.113 1.00 21.80 ? 92 GLY A CA 1 ATOM 820 C C . GLY A 1 92 ? 52.699 34.365 19.238 1.00 23.22 ? 92 GLY A C 1 ATOM 821 O O . GLY A 1 92 ? 52.596 33.228 19.717 1.00 20.93 ? 92 GLY A O 1 ATOM 822 H H . GLY A 1 92 ? 54.944 35.375 20.847 1.00 0.00 ? 92 GLY A H 1 ATOM 823 N N . ALA A 1 93 ? 52.580 34.635 17.937 1.00 23.58 ? 93 ALA A N 1 ATOM 824 C CA . ALA A 1 93 ? 52.298 33.633 16.909 1.00 18.99 ? 93 ALA A CA 1 ATOM 825 C C . ALA A 1 93 ? 53.481 32.774 16.439 1.00 19.02 ? 93 ALA A C 1 ATOM 826 O O . ALA A 1 93 ? 53.356 32.043 15.463 1.00 22.01 ? 93 ALA A O 1 ATOM 827 C CB . ALA A 1 93 ? 51.609 34.312 15.717 1.00 19.47 ? 93 ALA A CB 1 ATOM 828 H H . ALA A 1 93 ? 52.650 35.554 17.663 1.00 0.00 ? 93 ALA A H 1 ATOM 829 N N . GLU A 1 94 ? 54.599 32.806 17.155 1.00 17.30 ? 94 GLU A N 1 ATOM 830 C CA . GLU A 1 94 ? 55.759 31.998 16.778 1.00 19.84 ? 94 GLU A CA 1 ATOM 831 C C . GLU A 1 94 ? 55.386 30.524 16.786 1.00 20.92 ? 94 GLU A C 1 ATOM 832 O O . GLU A 1 94 ? 54.587 30.075 17.618 1.00 22.02 ? 94 GLU A O 1 ATOM 833 C CB . GLU A 1 94 ? 56.938 32.186 17.739 1.00 22.33 ? 94 GLU A CB 1 ATOM 834 C CG . GLU A 1 94 ? 57.549 33.579 17.810 1.00 26.09 ? 94 GLU A CG 1 ATOM 835 C CD . GLU A 1 94 ? 56.710 34.584 18.614 1.00 30.05 ? 94 GLU A CD 1 ATOM 836 O OE1 . GLU A 1 94 ? 55.837 34.192 19.426 1.00 28.93 ? 94 GLU A OE1 1 ATOM 837 O OE2 . GLU A 1 94 ? 56.932 35.792 18.425 1.00 34.85 ? 94 GLU A OE2 1 ATOM 838 H H . GLU A 1 94 ? 54.631 33.372 17.948 1.00 0.00 ? 94 GLU A H 1 ATOM 839 N N . VAL A 1 95 ? 55.998 29.770 15.882 1.00 18.79 ? 95 VAL A N 1 ATOM 840 C CA . VAL A 1 95 ? 55.739 28.352 15.764 1.00 19.01 ? 95 VAL A CA 1 ATOM 841 C C . VAL A 1 95 ? 57.037 27.534 15.776 1.00 20.77 ? 95 VAL A C 1 ATOM 842 O O . VAL A 1 95 ? 58.088 27.995 15.316 1.00 20.12 ? 95 VAL A O 1 ATOM 843 C CB . VAL A 1 95 ? 54.895 28.077 14.517 1.00 21.81 ? 95 VAL A CB 1 ATOM 844 C CG1 . VAL A 1 95 ? 54.691 26.605 14.323 1.00 25.88 ? 95 VAL A CG1 1 ATOM 845 C CG2 . VAL A 1 95 ? 53.547 28.739 14.670 1.00 23.62 ? 95 VAL A CG2 1 ATOM 846 H H . VAL A 1 95 ? 56.648 30.187 15.279 1.00 0.00 ? 95 VAL A H 1 ATOM 847 N N . CYS A 1 96 ? 56.991 26.364 16.422 1.00 20.26 ? 96 CYS A N 1 ATOM 848 C CA . CYS A 1 96 ? 58.154 25.477 16.517 1.00 18.07 ? 96 CYS A CA 1 ATOM 849 C C . CYS A 1 96 ? 57.721 24.093 16.034 1.00 20.21 ? 96 CYS A C 1 ATOM 850 O O . CYS A 1 96 ? 56.530 23.760 16.029 1.00 20.06 ? 96 CYS A O 1 ATOM 851 C CB . CYS A 1 96 ? 58.639 25.356 17.983 1.00 19.34 ? 96 CYS A CB 1 ATOM 852 S SG . CYS A 1 96 ? 59.476 26.790 18.784 1.00 23.02 ? 96 CYS A SG 1 ATOM 853 H H . CYS A 1 96 ? 56.146 26.097 16.822 1.00 0.00 ? 96 CYS A H 1 ATOM 854 N N . TYR A 1 97 ? 58.685 23.301 15.582 1.00 20.88 ? 97 TYR A N 1 ATOM 855 C CA . TYR A 1 97 ? 58.397 21.941 15.139 1.00 23.45 ? 97 TYR A CA 1 ATOM 856 C C . TYR A 1 97 ? 59.391 21.041 15.830 1.00 21.11 ? 97 TYR A C 1 ATOM 857 O O . TYR A 1 97 ? 60.568 21.399 15.992 1.00 21.41 ? 97 TYR A O 1 ATOM 858 C CB . TYR A 1 97 ? 58.539 21.783 13.612 1.00 23.73 ? 97 TYR A CB 1 ATOM 859 C CG . TYR A 1 97 ? 57.632 22.696 12.843 1.00 25.60 ? 97 TYR A CG 1 ATOM 860 C CD1 . TYR A 1 97 ? 58.096 23.925 12.383 1.00 26.61 ? 97 TYR A CD1 1 ATOM 861 C CD2 . TYR A 1 97 ? 56.291 22.377 12.643 1.00 22.23 ? 97 TYR A CD2 1 ATOM 862 C CE1 . TYR A 1 97 ? 57.248 24.821 11.750 1.00 26.23 ? 97 TYR A CE1 1 ATOM 863 C CE2 . TYR A 1 97 ? 55.427 23.270 12.013 1.00 25.69 ? 97 TYR A CE2 1 ATOM 864 C CZ . TYR A 1 97 ? 55.923 24.494 11.570 1.00 27.49 ? 97 TYR A CZ 1 ATOM 865 O OH . TYR A 1 97 ? 55.109 25.412 10.959 1.00 31.21 ? 97 TYR A OH 1 ATOM 866 H H . TYR A 1 97 ? 59.607 23.629 15.546 1.00 0.00 ? 97 TYR A H 1 ATOM 867 H HH . TYR A 1 97 ? 54.209 25.078 10.921 1.00 0.00 ? 97 TYR A HH 1 ATOM 868 N N . SER A 1 98 ? 58.901 19.892 16.274 1.00 20.58 ? 98 SER A N 1 ATOM 869 C CA . SER A 1 98 ? 59.745 18.924 16.938 1.00 21.45 ? 98 SER A CA 1 ATOM 870 C C . SER A 1 98 ? 59.120 17.565 16.814 1.00 22.01 ? 98 SER A C 1 ATOM 871 O O . SER A 1 98 ? 57.910 17.433 16.875 1.00 20.80 ? 98 SER A O 1 ATOM 872 C CB . SER A 1 98 ? 59.903 19.257 18.421 1.00 21.65 ? 98 SER A CB 1 ATOM 873 O OG . SER A 1 98 ? 60.673 18.259 19.064 1.00 23.20 ? 98 SER A OG 1 ATOM 874 H H . SER A 1 98 ? 57.948 19.696 16.156 1.00 0.00 ? 98 SER A H 1 ATOM 875 H HG . SER A 1 98 ? 60.196 17.426 19.071 1.00 0.00 ? 98 SER A HG 1 ATOM 876 N N . VAL A 1 99 ? 59.953 16.547 16.643 1.00 24.89 ? 99 VAL A N 1 ATOM 877 C CA . VAL A 1 99 ? 59.435 15.197 16.543 1.00 27.25 ? 99 VAL A CA 1 ATOM 878 C C . VAL A 1 99 ? 59.308 14.638 17.955 1.00 26.65 ? 99 VAL A C 1 ATOM 879 O O . VAL A 1 99 ? 60.287 14.537 18.702 1.00 25.18 ? 99 VAL A O 1 ATOM 880 C CB . VAL A 1 99 ? 60.313 14.311 15.644 1.00 28.15 ? 99 VAL A CB 1 ATOM 881 C CG1 . VAL A 1 99 ? 59.883 12.851 15.767 1.00 29.00 ? 99 VAL A CG1 1 ATOM 882 C CG2 . VAL A 1 99 ? 60.179 14.776 14.198 1.00 28.80 ? 99 VAL A CG2 1 ATOM 883 H H . VAL A 1 99 ? 60.917 16.708 16.585 1.00 0.00 ? 99 VAL A H 1 ATOM 884 N N . TYR A 1 100 ? 58.065 14.371 18.333 1.00 26.84 ? 100 TYR A N 1 ATOM 885 C CA . TYR A 1 100 ? 57.752 13.847 19.646 1.00 26.10 ? 100 TYR A CA 1 ATOM 886 C C . TYR A 1 100 ? 56.673 12.779 19.514 1.00 25.63 ? 100 TYR A C 1 ATOM 887 O O . TYR A 1 100 ? 55.604 13.009 18.916 1.00 25.05 ? 100 TYR A O 1 ATOM 888 C CB . TYR A 1 100 ? 57.264 14.976 20.572 1.00 24.89 ? 100 TYR A CB 1 ATOM 889 C CG . TYR A 1 100 ? 56.929 14.471 21.949 1.00 23.44 ? 100 TYR A CG 1 ATOM 890 C CD1 . TYR A 1 100 ? 57.950 14.131 22.853 1.00 24.53 ? 100 TYR A CD1 1 ATOM 891 C CD2 . TYR A 1 100 ? 55.611 14.199 22.304 1.00 23.27 ? 100 TYR A CD2 1 ATOM 892 C CE1 . TYR A 1 100 ? 57.658 13.518 24.072 1.00 25.02 ? 100 TYR A CE1 1 ATOM 893 C CE2 . TYR A 1 100 ? 55.307 13.581 23.526 1.00 25.21 ? 100 TYR A CE2 1 ATOM 894 C CZ . TYR A 1 100 ? 56.334 13.244 24.398 1.00 25.36 ? 100 TYR A CZ 1 ATOM 895 O OH . TYR A 1 100 ? 56.041 12.613 25.585 1.00 29.01 ? 100 TYR A OH 1 ATOM 896 H H . TYR A 1 100 ? 57.331 14.540 17.709 1.00 0.00 ? 100 TYR A H 1 ATOM 897 H HH . TYR A 1 100 ? 56.849 12.448 26.076 1.00 0.00 ? 100 TYR A HH 1 ATOM 898 N N . ASP A 1 101 ? 56.958 11.607 20.070 1.00 26.92 ? 101 ASP A N 1 ATOM 899 C CA . ASP A 1 101 ? 56.007 10.506 20.028 1.00 31.69 ? 101 ASP A CA 1 ATOM 900 C C . ASP A 1 101 ? 55.565 10.110 18.602 1.00 30.32 ? 101 ASP A C 1 ATOM 901 O O . ASP A 1 101 ? 54.381 9.895 18.349 1.00 31.61 ? 101 ASP A O 1 ATOM 902 C CB . ASP A 1 101 ? 54.787 10.872 20.874 1.00 35.79 ? 101 ASP A CB 1 ATOM 903 C CG . ASP A 1 101 ? 54.457 9.823 21.883 1.00 38.55 ? 101 ASP A CG 1 ATOM 904 O OD1 . ASP A 1 101 ? 53.276 9.425 21.942 1.00 42.55 ? 101 ASP A OD1 1 ATOM 905 O OD2 . ASP A 1 101 ? 55.384 9.393 22.601 1.00 40.06 ? 101 ASP A OD2 1 ATOM 906 H H . ASP A 1 101 ? 57.821 11.480 20.516 1.00 0.00 ? 101 ASP A H 1 ATOM 907 N N . GLY A 1 102 ? 56.512 10.069 17.669 1.00 30.69 ? 102 GLY A N 1 ATOM 908 C CA . GLY A 1 102 ? 56.203 9.683 16.302 1.00 31.20 ? 102 GLY A CA 1 ATOM 909 C C . GLY A 1 102 ? 55.473 10.680 15.419 1.00 30.85 ? 102 GLY A C 1 ATOM 910 O O . GLY A 1 102 ? 55.007 10.309 14.343 1.00 30.23 ? 102 GLY A O 1 ATOM 911 H H . GLY A 1 102 ? 57.434 10.303 17.906 1.00 0.00 ? 102 GLY A H 1 ATOM 912 N N . VAL A 1 103 ? 55.394 11.939 15.849 1.00 28.56 ? 103 VAL A N 1 ATOM 913 C CA . VAL A 1 103 ? 54.717 12.988 15.079 1.00 28.61 ? 103 VAL A CA 1 ATOM 914 C C . VAL A 1 103 ? 55.631 14.211 14.948 1.00 26.72 ? 103 VAL A C 1 ATOM 915 O O . VAL A 1 103 ? 56.302 14.547 15.915 1.00 28.28 ? 103 VAL A O 1 ATOM 916 C CB . VAL A 1 103 ? 53.440 13.487 15.841 1.00 30.88 ? 103 VAL A CB 1 ATOM 917 C CG1 . VAL A 1 103 ? 52.616 14.419 14.965 1.00 31.17 ? 103 VAL A CG1 1 ATOM 918 C CG2 . VAL A 1 103 ? 52.600 12.316 16.335 1.00 33.12 ? 103 VAL A CG2 1 ATOM 919 H H . VAL A 1 103 ? 55.805 12.169 16.708 1.00 0.00 ? 103 VAL A H 1 ATOM 920 N N . ASN A 1 104 ? 55.708 14.836 13.767 1.00 26.01 ? 104 ASN A N 1 ATOM 921 C CA . ASN A 1 104 ? 56.488 16.084 13.602 1.00 26.36 ? 104 ASN A CA 1 ATOM 922 C C . ASN A 1 104 ? 55.422 17.051 14.109 1.00 26.18 ? 104 ASN A C 1 ATOM 923 O O . ASN A 1 104 ? 54.541 17.462 13.359 1.00 27.09 ? 104 ASN A O 1 ATOM 924 C CB . ASN A 1 104 ? 56.810 16.398 12.117 1.00 31.52 ? 104 ASN A CB 1 ATOM 925 C CG . ASN A 1 104 ? 57.573 17.748 11.924 1.00 36.63 ? 104 ASN A CG 1 ATOM 926 O OD1 . ASN A 1 104 ? 58.132 18.275 12.895 1.00 35.20 ? 104 ASN A OD1 1 ATOM 927 N ND2 . ASN A 1 104 ? 57.595 18.265 10.676 1.00 39.57 ? 104 ASN A ND2 1 ATOM 928 H H . ASN A 1 104 ? 55.237 14.457 12.996 1.00 0.00 ? 104 ASN A H 1 ATOM 929 H HD22 . ASN A 1 104 ? 57.380 17.655 9.939 1.00 0.00 ? 104 ASN A HD22 1 ATOM 930 N N . GLU A 1 105 ? 55.472 17.361 15.399 1.00 23.54 ? 105 GLU A N 1 ATOM 931 C CA . GLU A 1 105 ? 54.474 18.209 16.042 1.00 19.35 ? 105 GLU A CA 1 ATOM 932 C C . GLU A 1 105 ? 54.622 19.729 15.871 1.00 20.09 ? 105 GLU A C 1 ATOM 933 O O . GLU A 1 105 ? 55.728 20.260 15.946 1.00 22.09 ? 105 GLU A O 1 ATOM 934 C CB . GLU A 1 105 ? 54.453 17.848 17.536 1.00 18.25 ? 105 GLU A CB 1 ATOM 935 C CG . GLU A 1 105 ? 53.302 18.430 18.324 1.00 17.05 ? 105 GLU A CG 1 ATOM 936 C CD . GLU A 1 105 ? 53.441 18.193 19.816 1.00 19.72 ? 105 GLU A CD 1 ATOM 937 O OE1 . GLU A 1 105 ? 52.982 19.056 20.584 1.00 21.36 ? 105 GLU A OE1 1 ATOM 938 O OE2 . GLU A 1 105 ? 54.017 17.163 20.231 1.00 20.79 ? 105 GLU A OE2 1 ATOM 939 H H . GLU A 1 105 ? 56.201 16.991 15.933 1.00 0.00 ? 105 GLU A H 1 ATOM 940 N N . THR A 1 106 ? 53.514 20.406 15.566 1.00 17.53 ? 106 THR A N 1 ATOM 941 C CA . THR A 1 106 ? 53.500 21.862 15.474 1.00 18.83 ? 106 THR A CA 1 ATOM 942 C C . THR A 1 106 ? 53.277 22.346 16.917 1.00 18.46 ? 106 THR A C 1 ATOM 943 O O . THR A 1 106 ? 52.261 22.032 17.543 1.00 15.87 ? 106 THR A O 1 ATOM 944 C CB . THR A 1 106 ? 52.358 22.370 14.593 1.00 21.19 ? 106 THR A CB 1 ATOM 945 O OG1 . THR A 1 106 ? 52.567 21.893 13.267 1.00 24.08 ? 106 THR A OG1 1 ATOM 946 C CG2 . THR A 1 106 ? 52.340 23.895 14.546 1.00 21.39 ? 106 THR A CG2 1 ATOM 947 H H . THR A 1 106 ? 52.694 19.908 15.393 1.00 0.00 ? 106 THR A H 1 ATOM 948 H HG1 . THR A 1 106 ? 52.534 20.937 13.293 1.00 0.00 ? 106 THR A HG1 1 ATOM 949 N N . ILE A 1 107 ? 54.249 23.098 17.425 1.00 18.97 ? 107 ILE A N 1 ATOM 950 C CA . ILE A 1 107 ? 54.242 23.602 18.797 1.00 18.13 ? 107 ILE A CA 1 ATOM 951 C C . ILE A 1 107 ? 54.090 25.120 18.866 1.00 17.79 ? 107 ILE A C 1 ATOM 952 O O . ILE A 1 107 ? 54.851 25.869 18.241 1.00 18.05 ? 107 ILE A O 1 ATOM 953 C CB . ILE A 1 107 ? 55.527 23.165 19.528 1.00 18.51 ? 107 ILE A CB 1 ATOM 954 C CG1 . ILE A 1 107 ? 55.659 21.633 19.464 1.00 15.63 ? 107 ILE A CG1 1 ATOM 955 C CG2 . ILE A 1 107 ? 55.509 23.681 20.975 1.00 17.87 ? 107 ILE A CG2 1 ATOM 956 C CD1 . ILE A 1 107 ? 57.071 21.091 19.692 1.00 15.02 ? 107 ILE A CD1 1 ATOM 957 H H . ILE A 1 107 ? 54.979 23.334 16.844 1.00 0.00 ? 107 ILE A H 1 ATOM 958 N N . LEU A 1 108 ? 53.085 25.557 19.622 1.00 15.25 ? 108 LEU A N 1 ATOM 959 C CA . LEU A 1 108 ? 52.783 26.975 19.795 1.00 16.36 ? 108 LEU A CA 1 ATOM 960 C C . LEU A 1 108 ? 53.432 27.559 21.049 1.00 17.37 ? 108 LEU A C 1 ATOM 961 O O . LEU A 1 108 ? 54.028 26.836 21.838 1.00 18.61 ? 108 LEU A O 1 ATOM 962 C CB . LEU A 1 108 ? 51.267 27.171 19.879 1.00 14.28 ? 108 LEU A CB 1 ATOM 963 C CG . LEU A 1 108 ? 50.443 26.503 18.782 1.00 15.28 ? 108 LEU A CG 1 ATOM 964 C CD1 . LEU A 1 108 ? 48.983 26.949 18.919 1.00 14.13 ? 108 LEU A CD1 1 ATOM 965 C CD2 . LEU A 1 108 ? 51.032 26.862 17.409 1.00 13.87 ? 108 LEU A CD2 1 ATOM 966 H H . LEU A 1 108 ? 52.526 24.898 20.077 1.00 0.00 ? 108 LEU A H 1 ATOM 967 N N . THR A 1 109 ? 53.310 28.868 21.229 1.00 16.65 ? 109 THR A N 1 ATOM 968 C CA . THR A 1 109 ? 53.869 29.519 22.405 1.00 15.57 ? 109 THR A CA 1 ATOM 969 C C . THR A 1 109 ? 52.886 29.309 23.577 1.00 15.90 ? 109 THR A C 1 ATOM 970 O O . THR A 1 109 ? 51.723 28.943 23.370 1.00 11.88 ? 109 THR A O 1 ATOM 971 C CB . THR A 1 109 ? 54.055 31.031 22.161 1.00 17.03 ? 109 THR A CB 1 ATOM 972 O OG1 . THR A 1 109 ? 52.781 31.608 21.859 1.00 16.06 ? 109 THR A OG1 1 ATOM 973 C CG2 . THR A 1 109 ? 55.043 31.299 21.000 1.00 14.61 ? 109 THR A CG2 1 ATOM 974 H H . THR A 1 109 ? 52.834 29.410 20.567 1.00 0.00 ? 109 THR A H 1 ATOM 975 H HG1 . THR A 1 109 ? 52.868 32.562 21.813 1.00 0.00 ? 109 THR A HG1 1 ATOM 976 N N . PHE A 1 110 ? 53.356 29.519 24.804 1.00 16.06 ? 110 PHE A N 1 ATOM 977 C CA . PHE A 1 110 ? 52.493 29.370 25.985 1.00 11.67 ? 110 PHE A CA 1 ATOM 978 C C . PHE A 1 110 ? 51.260 30.296 25.877 1.00 13.40 ? 110 PHE A C 1 ATOM 979 O O . PHE A 1 110 ? 50.111 29.861 26.089 1.00 12.59 ? 110 PHE A O 1 ATOM 980 C CB . PHE A 1 110 ? 53.318 29.666 27.239 1.00 13.28 ? 110 PHE A CB 1 ATOM 981 C CG . PHE A 1 110 ? 52.530 29.691 28.513 1.00 13.75 ? 110 PHE A CG 1 ATOM 982 C CD1 . PHE A 1 110 ? 52.422 28.543 29.296 1.00 15.34 ? 110 PHE A CD1 1 ATOM 983 C CD2 . PHE A 1 110 ? 51.975 30.882 28.975 1.00 13.25 ? 110 PHE A CD2 1 ATOM 984 C CE1 . PHE A 1 110 ? 51.778 28.572 30.536 1.00 15.38 ? 110 PHE A CE1 1 ATOM 985 C CE2 . PHE A 1 110 ? 51.323 30.935 30.212 1.00 17.57 ? 110 PHE A CE2 1 ATOM 986 C CZ . PHE A 1 110 ? 51.226 29.771 30.999 1.00 16.73 ? 110 PHE A CZ 1 ATOM 987 H H . PHE A 1 110 ? 54.291 29.772 24.925 1.00 0.00 ? 110 PHE A H 1 ATOM 988 N N . PRO A 1 111 ? 51.469 31.579 25.507 1.00 14.44 ? 111 PRO A N 1 ATOM 989 C CA . PRO A 1 111 ? 50.305 32.465 25.397 1.00 15.79 ? 111 PRO A CA 1 ATOM 990 C C . PRO A 1 111 ? 49.338 32.019 24.296 1.00 16.34 ? 111 PRO A C 1 ATOM 991 O O . PRO A 1 111 ? 48.127 32.097 24.473 1.00 15.94 ? 111 PRO A O 1 ATOM 992 C CB . PRO A 1 111 ? 50.935 33.828 25.065 1.00 17.11 ? 111 PRO A CB 1 ATOM 993 C CG . PRO A 1 111 ? 52.301 33.748 25.677 1.00 15.23 ? 111 PRO A CG 1 ATOM 994 C CD . PRO A 1 111 ? 52.722 32.340 25.311 1.00 14.99 ? 111 PRO A CD 1 ATOM 995 N N . ALA A 1 112 ? 49.865 31.522 23.175 1.00 16.07 ? 112 ALA A N 1 ATOM 996 C CA . ALA A 1 112 ? 49.005 31.070 22.073 1.00 14.15 ? 112 ALA A CA 1 ATOM 997 C C . ALA A 1 112 ? 48.070 29.946 22.510 1.00 12.68 ? 112 ALA A C 1 ATOM 998 O O . ALA A 1 112 ? 46.886 29.979 22.197 1.00 15.51 ? 112 ALA A O 1 ATOM 999 C CB . ALA A 1 112 ? 49.840 30.616 20.894 1.00 13.76 ? 112 ALA A CB 1 ATOM 1000 H H . ALA A 1 112 ? 50.839 31.453 23.084 1.00 0.00 ? 112 ALA A H 1 ATOM 1001 N N . TYR A 1 113 ? 48.600 28.944 23.217 1.00 13.85 ? 113 TYR A N 1 ATOM 1002 C CA . TYR A 1 113 ? 47.773 27.831 23.688 1.00 11.72 ? 113 TYR A CA 1 ATOM 1003 C C . TYR A 1 113 ? 46.636 28.302 24.590 1.00 11.59 ? 113 TYR A C 1 ATOM 1004 O O . TYR A 1 113 ? 45.497 27.839 24.464 1.00 13.13 ? 113 TYR A O 1 ATOM 1005 C CB . TYR A 1 113 ? 48.626 26.832 24.453 1.00 12.49 ? 113 TYR A CB 1 ATOM 1006 C CG . TYR A 1 113 ? 49.462 25.928 23.590 1.00 14.51 ? 113 TYR A CG 1 ATOM 1007 C CD1 . TYR A 1 113 ? 50.847 25.935 23.696 1.00 17.32 ? 113 TYR A CD1 1 ATOM 1008 C CD2 . TYR A 1 113 ? 48.871 25.037 22.693 1.00 12.90 ? 113 TYR A CD2 1 ATOM 1009 C CE1 . TYR A 1 113 ? 51.625 25.081 22.932 1.00 16.05 ? 113 TYR A CE1 1 ATOM 1010 C CE2 . TYR A 1 113 ? 49.646 24.177 21.927 1.00 11.66 ? 113 TYR A CE2 1 ATOM 1011 C CZ . TYR A 1 113 ? 51.014 24.213 22.053 1.00 14.95 ? 113 TYR A CZ 1 ATOM 1012 O OH . TYR A 1 113 ? 51.802 23.404 21.288 1.00 20.51 ? 113 TYR A OH 1 ATOM 1013 H H . TYR A 1 113 ? 49.556 28.963 23.426 1.00 0.00 ? 113 TYR A H 1 ATOM 1014 H HH . TYR A 1 113 ? 52.726 23.635 21.415 1.00 0.00 ? 113 TYR A HH 1 ATOM 1015 N N . LEU A 1 114 ? 46.958 29.184 25.539 1.00 14.80 ? 114 LEU A N 1 ATOM 1016 C CA . LEU A 1 114 ? 45.946 29.713 26.468 1.00 14.94 ? 114 LEU A CA 1 ATOM 1017 C C . LEU A 1 114 ? 44.917 30.580 25.733 1.00 15.17 ? 114 LEU A C 1 ATOM 1018 O O . LEU A 1 114 ? 43.710 30.528 26.031 1.00 14.65 ? 114 LEU A O 1 ATOM 1019 C CB . LEU A 1 114 ? 46.603 30.527 27.596 1.00 17.13 ? 114 LEU A CB 1 ATOM 1020 C CG . LEU A 1 114 ? 47.549 29.758 28.516 1.00 21.88 ? 114 LEU A CG 1 ATOM 1021 C CD1 . LEU A 1 114 ? 47.750 30.523 29.797 1.00 19.30 ? 114 LEU A CD1 1 ATOM 1022 C CD2 . LEU A 1 114 ? 46.977 28.391 28.808 1.00 20.42 ? 114 LEU A CD2 1 ATOM 1023 H H . LEU A 1 114 ? 47.887 29.489 25.613 1.00 0.00 ? 114 LEU A H 1 ATOM 1024 N N . GLU A 1 115 ? 45.382 31.377 24.769 1.00 14.47 ? 115 GLU A N 1 ATOM 1025 C CA . GLU A 1 115 ? 44.461 32.232 24.022 1.00 13.90 ? 115 GLU A CA 1 ATOM 1026 C C . GLU A 1 115 ? 43.508 31.381 23.202 1.00 12.10 ? 115 GLU A C 1 ATOM 1027 O O . GLU A 1 115 ? 42.302 31.635 23.186 1.00 13.90 ? 115 GLU A O 1 ATOM 1028 C CB . GLU A 1 115 ? 45.222 33.199 23.123 1.00 14.47 ? 115 GLU A CB 1 ATOM 1029 C CG . GLU A 1 115 ? 45.824 34.371 23.866 1.00 17.14 ? 115 GLU A CG 1 ATOM 1030 C CD . GLU A 1 115 ? 47.071 34.939 23.212 1.00 22.23 ? 115 GLU A CD 1 ATOM 1031 O OE1 . GLU A 1 115 ? 47.196 34.878 21.977 1.00 24.57 ? 115 GLU A OE1 1 ATOM 1032 O OE2 . GLU A 1 115 ? 47.945 35.462 23.934 1.00 21.81 ? 115 GLU A OE2 1 ATOM 1033 H H . GLU A 1 115 ? 46.331 31.372 24.549 1.00 0.00 ? 115 GLU A H 1 ATOM 1034 N N . ASN A 1 116 ? 44.039 30.344 22.557 1.00 13.82 ? 116 ASN A N 1 ATOM 1035 C CA . ASN A 1 116 ? 43.185 29.485 21.736 1.00 14.35 ? 116 ASN A CA 1 ATOM 1036 C C . ASN A 1 116 ? 42.125 28.826 22.598 1.00 13.67 ? 116 ASN A C 1 ATOM 1037 O O . ASN A 1 116 ? 40.961 28.788 22.207 1.00 14.99 ? 116 ASN A O 1 ATOM 1038 C CB . ASN A 1 116 ? 44.002 28.429 20.979 1.00 15.25 ? 116 ASN A CB 1 ATOM 1039 C CG . ASN A 1 116 ? 44.779 29.009 19.807 1.00 19.24 ? 116 ASN A CG 1 ATOM 1040 O OD1 . ASN A 1 116 ? 44.581 30.166 19.418 1.00 21.09 ? 116 ASN A OD1 1 ATOM 1041 N ND2 . ASN A 1 116 ? 45.679 28.210 19.246 1.00 19.86 ? 116 ASN A ND2 1 ATOM 1042 H H . ASN A 1 116 ? 44.991 30.156 22.648 1.00 0.00 ? 116 ASN A H 1 ATOM 1043 H HD21 . ASN A 1 116 ? 45.799 27.307 19.604 1.00 0.00 ? 116 ASN A HD21 1 ATOM 1044 H HD22 . ASN A 1 116 ? 46.192 28.565 18.493 1.00 0.00 ? 116 ASN A HD22 1 ATOM 1045 N N . ALA A 1 117 ? 42.521 28.309 23.769 1.00 12.31 ? 117 ALA A N 1 ATOM 1046 C CA . ALA A 1 117 ? 41.560 27.655 24.679 1.00 12.08 ? 117 ALA A CA 1 ATOM 1047 C C . ALA A 1 117 ? 40.494 28.642 25.124 1.00 11.04 ? 117 ALA A C 1 ATOM 1048 O O . ALA A 1 117 ? 39.318 28.297 25.155 1.00 13.93 ? 117 ALA A O 1 ATOM 1049 C CB . ALA A 1 117 ? 42.270 27.065 25.922 1.00 10.87 ? 117 ALA A CB 1 ATOM 1050 H H . ALA A 1 117 ? 43.462 28.370 24.036 1.00 0.00 ? 117 ALA A H 1 ATOM 1051 N N . ALA A 1 118 ? 40.906 29.862 25.480 1.00 13.48 ? 118 ALA A N 1 ATOM 1052 C CA . ALA A 1 118 ? 39.970 30.901 25.930 1.00 16.10 ? 118 ALA A CA 1 ATOM 1053 C C . ALA A 1 118 ? 38.933 31.223 24.836 1.00 15.67 ? 118 ALA A C 1 ATOM 1054 O O . ALA A 1 118 ? 37.735 31.372 25.107 1.00 14.40 ? 118 ALA A O 1 ATOM 1055 C CB . ALA A 1 118 ? 40.751 32.184 26.341 1.00 17.00 ? 118 ALA A CB 1 ATOM 1056 H H . ALA A 1 118 ? 41.859 30.061 25.422 1.00 0.00 ? 118 ALA A H 1 ATOM 1057 N N . LYS A 1 119 ? 39.393 31.280 23.589 1.00 16.56 ? 119 LYS A N 1 ATOM 1058 C CA . LYS A 1 119 ? 38.492 31.556 22.471 1.00 18.97 ? 119 LYS A CA 1 ATOM 1059 C C . LYS A 1 119 ? 37.449 30.465 22.294 1.00 15.41 ? 119 LYS A C 1 ATOM 1060 O O . LYS A 1 119 ? 36.291 30.768 22.077 1.00 17.21 ? 119 LYS A O 1 ATOM 1061 C CB . LYS A 1 119 ? 39.286 31.819 21.171 1.00 21.77 ? 119 LYS A CB 1 ATOM 1062 C CG . LYS A 1 119 ? 39.930 33.225 21.168 1.00 25.77 ? 119 LYS A CG 1 ATOM 1063 C CD . LYS A 1 119 ? 41.164 33.332 20.281 1.00 31.62 ? 119 LYS A CD 1 ATOM 1064 C CE . LYS A 1 119 ? 40.835 33.207 18.816 1.00 32.11 ? 119 LYS A CE 1 ATOM 1065 N NZ . LYS A 1 119 ? 42.115 32.984 18.070 1.00 35.31 ? 119 LYS A NZ 1 ATOM 1066 H H . LYS A 1 119 ? 40.345 31.125 23.424 1.00 0.00 ? 119 LYS A H 1 ATOM 1067 H HZ1 . LYS A 1 119 ? 42.563 32.106 18.405 1.00 0.00 ? 119 LYS A HZ1 1 ATOM 1068 H HZ2 . LYS A 1 119 ? 42.758 33.784 18.240 1.00 0.00 ? 119 LYS A HZ2 1 ATOM 1069 H HZ3 . LYS A 1 119 ? 41.916 32.906 17.052 1.00 0.00 ? 119 LYS A HZ3 1 ATOM 1070 N N . LEU A 1 120 ? 37.836 29.197 22.428 1.00 17.55 ? 120 LEU A N 1 ATOM 1071 C CA . LEU A 1 120 ? 36.857 28.107 22.316 1.00 17.14 ? 120 LEU A CA 1 ATOM 1072 C C . LEU A 1 120 ? 35.783 28.232 23.397 1.00 14.79 ? 120 LEU A C 1 ATOM 1073 O O . LEU A 1 120 ? 34.587 28.123 23.117 1.00 15.48 ? 120 LEU A O 1 ATOM 1074 C CB . LEU A 1 120 ? 37.502 26.737 22.522 1.00 18.16 ? 120 LEU A CB 1 ATOM 1075 C CG . LEU A 1 120 ? 38.352 26.015 21.499 1.00 22.65 ? 120 LEU A CG 1 ATOM 1076 C CD1 . LEU A 1 120 ? 38.732 24.649 22.088 1.00 23.31 ? 120 LEU A CD1 1 ATOM 1077 C CD2 . LEU A 1 120 ? 37.533 25.826 20.233 1.00 26.27 ? 120 LEU A CD2 1 ATOM 1078 H H . LEU A 1 120 ? 38.780 28.999 22.603 1.00 0.00 ? 120 LEU A H 1 ATOM 1079 N N . PHE A 1 121 ? 36.213 28.463 24.635 1.00 14.58 ? 121 PHE A N 1 ATOM 1080 C CA . PHE A 1 121 ? 35.270 28.541 25.763 1.00 15.44 ? 121 PHE A CA 1 ATOM 1081 C C . PHE A 1 121 ? 34.405 29.789 25.721 1.00 15.64 ? 121 PHE A C 1 ATOM 1082 O O . PHE A 1 121 ? 33.187 29.719 25.943 1.00 15.98 ? 121 PHE A O 1 ATOM 1083 C CB . PHE A 1 121 ? 36.002 28.471 27.125 1.00 14.46 ? 121 PHE A CB 1 ATOM 1084 C CG . PHE A 1 121 ? 36.941 27.285 27.273 1.00 13.62 ? 121 PHE A CG 1 ATOM 1085 C CD1 . PHE A 1 121 ? 38.206 27.461 27.807 1.00 11.99 ? 121 PHE A CD1 1 ATOM 1086 C CD2 . PHE A 1 121 ? 36.572 26.023 26.858 1.00 11.66 ? 121 PHE A CD2 1 ATOM 1087 C CE1 . PHE A 1 121 ? 39.093 26.406 27.919 1.00 12.71 ? 121 PHE A CE1 1 ATOM 1088 C CE2 . PHE A 1 121 ? 37.452 24.960 26.965 1.00 13.63 ? 121 PHE A CE2 1 ATOM 1089 C CZ . PHE A 1 121 ? 38.721 25.155 27.498 1.00 12.64 ? 121 PHE A CZ 1 ATOM 1090 H H . PHE A 1 121 ? 37.171 28.588 24.802 1.00 0.00 ? 121 PHE A H 1 ATOM 1091 N N . THR A 1 122 ? 35.031 30.927 25.422 1.00 16.40 ? 122 THR A N 1 ATOM 1092 C CA . THR A 1 122 ? 34.325 32.199 25.361 1.00 16.20 ? 122 THR A CA 1 ATOM 1093 C C . THR A 1 122 ? 33.226 32.217 24.286 1.00 19.08 ? 122 THR A C 1 ATOM 1094 O O . THR A 1 122 ? 32.132 32.736 24.530 1.00 20.73 ? 122 THR A O 1 ATOM 1095 C CB . THR A 1 122 ? 35.316 33.363 25.165 1.00 17.93 ? 122 THR A CB 1 ATOM 1096 O OG1 . THR A 1 122 ? 36.175 33.444 26.318 1.00 18.55 ? 122 THR A OG1 1 ATOM 1097 C CG2 . THR A 1 122 ? 34.592 34.689 24.989 1.00 17.44 ? 122 THR A CG2 1 ATOM 1098 H H . THR A 1 122 ? 35.975 30.887 25.218 1.00 0.00 ? 122 THR A H 1 ATOM 1099 H HG1 . THR A 1 122 ? 36.801 34.162 26.204 1.00 0.00 ? 122 THR A HG1 1 ATOM 1100 N N . ALA A 1 123 ? 33.487 31.616 23.126 1.00 18.13 ? 123 ALA A N 1 ATOM 1101 C CA . ALA A 1 123 ? 32.493 31.584 22.040 1.00 19.35 ? 123 ALA A CA 1 ATOM 1102 C C . ALA A 1 123 ? 31.215 30.862 22.436 1.00 18.59 ? 123 ALA A C 1 ATOM 1103 O O . ALA A 1 123 ? 30.163 31.120 21.866 1.00 19.71 ? 123 ALA A O 1 ATOM 1104 C CB . ALA A 1 123 ? 33.091 30.942 20.788 1.00 19.64 ? 123 ALA A CB 1 ATOM 1105 H H . ALA A 1 123 ? 34.353 31.178 22.990 1.00 0.00 ? 123 ALA A H 1 ATOM 1106 N N . LYS A 1 124 ? 31.318 29.942 23.398 1.00 20.00 ? 124 LYS A N 1 ATOM 1107 C CA . LYS A 1 124 ? 30.161 29.181 23.890 1.00 19.71 ? 124 LYS A CA 1 ATOM 1108 C C . LYS A 1 124 ? 29.466 29.897 25.042 1.00 20.87 ? 124 LYS A C 1 ATOM 1109 O O . LYS A 1 124 ? 28.450 29.423 25.531 1.00 22.66 ? 124 LYS A O 1 ATOM 1110 C CB . LYS A 1 124 ? 30.565 27.783 24.392 1.00 19.78 ? 124 LYS A CB 1 ATOM 1111 C CG . LYS A 1 124 ? 31.209 26.882 23.373 1.00 21.00 ? 124 LYS A CG 1 ATOM 1112 C CD . LYS A 1 124 ? 31.336 25.461 23.912 1.00 20.44 ? 124 LYS A CD 1 ATOM 1113 C CE . LYS A 1 124 ? 29.976 24.823 24.071 1.00 18.79 ? 124 LYS A CE 1 ATOM 1114 N NZ . LYS A 1 124 ? 30.086 23.408 24.476 1.00 21.41 ? 124 LYS A NZ 1 ATOM 1115 H H . LYS A 1 124 ? 32.198 29.765 23.792 1.00 0.00 ? 124 LYS A H 1 ATOM 1116 H HZ1 . LYS A 1 124 ? 30.565 23.345 25.397 1.00 0.00 ? 124 LYS A HZ1 1 ATOM 1117 H HZ2 . LYS A 1 124 ? 30.640 22.892 23.762 1.00 0.00 ? 124 LYS A HZ2 1 ATOM 1118 H HZ3 . LYS A 1 124 ? 29.138 22.986 24.547 1.00 0.00 ? 124 LYS A HZ3 1 ATOM 1119 N N . GLY A 1 125 ? 30.052 30.993 25.522 1.00 21.79 ? 125 GLY A N 1 ATOM 1120 C CA . GLY A 1 125 ? 29.447 31.744 26.613 1.00 20.45 ? 125 GLY A CA 1 ATOM 1121 C C . GLY A 1 125 ? 29.981 31.460 28.006 1.00 19.89 ? 125 GLY A C 1 ATOM 1122 O O . GLY A 1 125 ? 29.387 31.876 28.985 1.00 21.03 ? 125 GLY A O 1 ATOM 1123 H H . GLY A 1 125 ? 30.905 31.283 25.148 1.00 0.00 ? 125 GLY A H 1 ATOM 1124 N N . ALA A 1 126 ? 31.101 30.760 28.098 1.00 18.07 ? 126 ALA A N 1 ATOM 1125 C CA . ALA A 1 126 ? 31.694 30.437 29.380 1.00 16.83 ? 126 ALA A CA 1 ATOM 1126 C C . ALA A 1 126 ? 32.569 31.591 29.806 1.00 18.00 ? 126 ALA A C 1 ATOM 1127 O O . ALA A 1 126 ? 33.043 32.342 28.962 1.00 15.89 ? 126 ALA A O 1 ATOM 1128 C CB . ALA A 1 126 ? 32.543 29.189 29.252 1.00 16.06 ? 126 ALA A CB 1 ATOM 1129 H H . ALA A 1 126 ? 31.544 30.457 27.279 1.00 0.00 ? 126 ALA A H 1 ATOM 1130 N N . LYS A 1 127 ? 32.751 31.760 31.113 1.00 16.34 ? 127 LYS A N 1 ATOM 1131 C CA . LYS A 1 127 ? 33.620 32.815 31.631 1.00 18.00 ? 127 LYS A CA 1 ATOM 1132 C C . LYS A 1 127 ? 34.992 32.213 31.920 1.00 17.24 ? 127 LYS A C 1 ATOM 1133 O O . LYS A 1 127 ? 35.136 31.315 32.747 1.00 17.12 ? 127 LYS A O 1 ATOM 1134 C CB . LYS A 1 127 ? 33.011 33.436 32.885 1.00 19.85 ? 127 LYS A CB 1 ATOM 1135 C CG . LYS A 1 127 ? 31.760 34.226 32.606 1.00 20.66 ? 127 LYS A CG 1 ATOM 1136 C CD . LYS A 1 127 ? 31.021 34.433 33.889 1.00 28.69 ? 127 LYS A CD 1 ATOM 1137 C CE . LYS A 1 127 ? 29.696 35.102 33.653 1.00 33.52 ? 127 LYS A CE 1 ATOM 1138 N NZ . LYS A 1 127 ? 28.819 34.845 34.824 1.00 39.15 ? 127 LYS A NZ 1 ATOM 1139 H H . LYS A 1 127 ? 32.283 31.207 31.743 1.00 0.00 ? 127 LYS A H 1 ATOM 1140 H HZ1 . LYS A 1 127 ? 29.260 35.236 35.680 1.00 0.00 ? 127 LYS A HZ1 1 ATOM 1141 H HZ2 . LYS A 1 127 ? 28.681 33.821 34.939 1.00 0.00 ? 127 LYS A HZ2 1 ATOM 1142 H HZ3 . LYS A 1 127 ? 27.898 35.301 34.669 1.00 0.00 ? 127 LYS A HZ3 1 ATOM 1143 N N . VAL A 1 128 ? 36.001 32.718 31.230 1.00 14.96 ? 128 VAL A N 1 ATOM 1144 C CA . VAL A 1 128 ? 37.337 32.193 31.370 1.00 14.10 ? 128 VAL A CA 1 ATOM 1145 C C . VAL A 1 128 ? 38.209 33.041 32.264 1.00 14.64 ? 128 VAL A C 1 ATOM 1146 O O . VAL A 1 128 ? 38.202 34.266 32.200 1.00 17.35 ? 128 VAL A O 1 ATOM 1147 C CB . VAL A 1 128 ? 38.010 32.029 29.991 1.00 13.38 ? 128 VAL A CB 1 ATOM 1148 C CG1 . VAL A 1 128 ? 39.351 31.382 30.121 1.00 13.43 ? 128 VAL A CG1 1 ATOM 1149 C CG2 . VAL A 1 128 ? 37.122 31.207 29.073 1.00 13.70 ? 128 VAL A CG2 1 ATOM 1150 H H . VAL A 1 128 ? 35.846 33.471 30.631 1.00 0.00 ? 128 VAL A H 1 ATOM 1151 N N . ILE A 1 129 ? 38.964 32.363 33.109 1.00 14.41 ? 129 ILE A N 1 ATOM 1152 C CA . ILE A 1 129 ? 39.860 33.027 34.031 1.00 14.90 ? 129 ILE A CA 1 ATOM 1153 C C . ILE A 1 129 ? 41.226 32.369 33.901 1.00 15.28 ? 129 ILE A C 1 ATOM 1154 O O . ILE A 1 129 ? 41.377 31.176 34.198 1.00 15.42 ? 129 ILE A O 1 ATOM 1155 C CB . ILE A 1 129 ? 39.369 32.893 35.508 1.00 13.50 ? 129 ILE A CB 1 ATOM 1156 C CG1 . ILE A 1 129 ? 37.983 33.548 35.675 1.00 13.97 ? 129 ILE A CG1 1 ATOM 1157 C CG2 . ILE A 1 129 ? 40.406 33.515 36.426 1.00 16.67 ? 129 ILE A CG2 1 ATOM 1158 C CD1 . ILE A 1 129 ? 37.168 33.042 36.850 1.00 15.00 ? 129 ILE A CD1 1 ATOM 1159 H H . ILE A 1 129 ? 38.928 31.387 33.103 1.00 0.00 ? 129 ILE A H 1 ATOM 1160 N N . LEU A 1 130 ? 42.192 33.117 33.369 1.00 13.25 ? 130 LEU A N 1 ATOM 1161 C CA . LEU A 1 130 ? 43.543 32.618 33.266 1.00 13.30 ? 130 LEU A CA 1 ATOM 1162 C C . LEU A 1 130 ? 44.203 32.980 34.613 1.00 16.13 ? 130 LEU A C 1 ATOM 1163 O O . LEU A 1 130 ? 43.984 34.063 35.164 1.00 15.46 ? 130 LEU A O 1 ATOM 1164 C CB . LEU A 1 130 ? 44.275 33.263 32.086 1.00 13.76 ? 130 LEU A CB 1 ATOM 1165 C CG . LEU A 1 130 ? 43.656 33.051 30.694 1.00 13.17 ? 130 LEU A CG 1 ATOM 1166 C CD1 . LEU A 1 130 ? 44.718 33.298 29.622 1.00 13.36 ? 130 LEU A CD1 1 ATOM 1167 C CD2 . LEU A 1 130 ? 43.131 31.648 30.544 1.00 15.51 ? 130 LEU A CD2 1 ATOM 1168 H H . LEU A 1 130 ? 41.980 34.009 33.034 1.00 0.00 ? 130 LEU A H 1 ATOM 1169 N N . SER A 1 131 ? 44.971 32.052 35.164 1.00 14.90 ? 131 SER A N 1 ATOM 1170 C CA . SER A 1 131 ? 45.617 32.277 36.453 1.00 15.12 ? 131 SER A CA 1 ATOM 1171 C C . SER A 1 131 ? 47.106 31.940 36.359 1.00 15.25 ? 131 SER A C 1 ATOM 1172 O O . SER A 1 131 ? 47.478 30.938 35.748 1.00 17.68 ? 131 SER A O 1 ATOM 1173 C CB . SER A 1 131 ? 44.917 31.392 37.513 1.00 18.37 ? 131 SER A CB 1 ATOM 1174 O OG . SER A 1 131 ? 45.436 31.588 38.820 1.00 16.93 ? 131 SER A OG 1 ATOM 1175 H H . SER A 1 131 ? 45.133 31.224 34.682 1.00 0.00 ? 131 SER A H 1 ATOM 1176 H HG . SER A 1 131 ? 44.975 31.016 39.437 1.00 0.00 ? 131 SER A HG 1 ATOM 1177 N N . SER A 1 132 ? 47.962 32.782 36.936 1.00 14.81 ? 132 SER A N 1 ATOM 1178 C CA . SER A 1 132 ? 49.393 32.532 36.929 1.00 15.79 ? 132 SER A CA 1 ATOM 1179 C C . SER A 1 132 ? 49.692 31.347 37.840 1.00 16.78 ? 132 SER A C 1 ATOM 1180 O O . SER A 1 132 ? 48.992 31.112 38.846 1.00 14.56 ? 132 SER A O 1 ATOM 1181 C CB . SER A 1 132 ? 50.201 33.766 37.383 1.00 17.43 ? 132 SER A CB 1 ATOM 1182 O OG . SER A 1 132 ? 49.718 34.309 38.608 1.00 14.98 ? 132 SER A OG 1 ATOM 1183 H H . SER A 1 132 ? 47.579 33.544 37.400 1.00 0.00 ? 132 SER A H 1 ATOM 1184 H HG . SER A 1 132 ? 50.279 35.042 38.865 1.00 0.00 ? 132 SER A HG 1 ATOM 1185 N N . GLN A 1 133 ? 50.748 30.623 37.489 1.00 14.36 ? 133 GLN A N 1 ATOM 1186 C CA . GLN A 1 133 ? 51.154 29.440 38.223 1.00 16.17 ? 133 GLN A CA 1 ATOM 1187 C C . GLN A 1 133 ? 51.504 29.779 39.666 1.00 17.10 ? 133 GLN A C 1 ATOM 1188 O O . GLN A 1 133 ? 51.896 30.913 39.969 1.00 14.99 ? 133 GLN A O 1 ATOM 1189 C CB . GLN A 1 133 ? 52.378 28.808 37.555 1.00 13.93 ? 133 GLN A CB 1 ATOM 1190 C CG . GLN A 1 133 ? 53.563 29.751 37.535 1.00 16.23 ? 133 GLN A CG 1 ATOM 1191 C CD . GLN A 1 133 ? 54.879 29.042 37.407 1.00 17.20 ? 133 GLN A CD 1 ATOM 1192 O OE1 . GLN A 1 133 ? 55.535 29.126 36.381 1.00 17.94 ? 133 GLN A OE1 1 ATOM 1193 N NE2 . GLN A 1 133 ? 55.286 28.350 38.456 1.00 12.93 ? 133 GLN A NE2 1 ATOM 1194 H H . GLN A 1 133 ? 51.279 30.907 36.721 1.00 0.00 ? 133 GLN A H 1 ATOM 1195 H HE21 . GLN A 1 133 ? 54.718 28.336 39.252 1.00 0.00 ? 133 GLN A HE21 1 ATOM 1196 H HE22 . GLN A 1 133 ? 56.141 27.877 38.391 1.00 0.00 ? 133 GLN A HE22 1 ATOM 1197 N N . THR A 1 134 ? 51.392 28.786 40.547 1.00 17.24 ? 134 THR A N 1 ATOM 1198 C CA . THR A 1 134 ? 51.750 28.975 41.960 1.00 17.23 ? 134 THR A CA 1 ATOM 1199 C C . THR A 1 134 ? 53.275 28.977 42.079 1.00 16.87 ? 134 THR A C 1 ATOM 1200 O O . THR A 1 134 ? 53.994 28.452 41.205 1.00 17.59 ? 134 THR A O 1 ATOM 1201 C CB . THR A 1 134 ? 51.227 27.825 42.864 1.00 16.95 ? 134 THR A CB 1 ATOM 1202 O OG1 . THR A 1 134 ? 51.766 26.584 42.397 1.00 18.30 ? 134 THR A OG1 1 ATOM 1203 C CG2 . THR A 1 134 ? 49.709 27.748 42.840 1.00 13.36 ? 134 THR A CG2 1 ATOM 1204 H H . THR A 1 134 ? 51.068 27.909 40.259 1.00 0.00 ? 134 THR A H 1 ATOM 1205 H HG1 . THR A 1 134 ? 51.510 26.444 41.482 1.00 0.00 ? 134 THR A HG1 1 ATOM 1206 N N . PRO A 1 135 ? 53.803 29.602 43.147 1.00 18.51 ? 135 PRO A N 1 ATOM 1207 C CA . PRO A 1 135 ? 55.260 29.608 43.292 1.00 17.94 ? 135 PRO A CA 1 ATOM 1208 C C . PRO A 1 135 ? 55.832 28.323 43.906 1.00 18.04 ? 135 PRO A C 1 ATOM 1209 O O . PRO A 1 135 ? 55.110 27.572 44.577 1.00 18.05 ? 135 PRO A O 1 ATOM 1210 C CB . PRO A 1 135 ? 55.500 30.821 44.201 1.00 15.49 ? 135 PRO A CB 1 ATOM 1211 C CG . PRO A 1 135 ? 54.296 30.890 45.011 1.00 13.31 ? 135 PRO A CG 1 ATOM 1212 C CD . PRO A 1 135 ? 53.173 30.568 44.067 1.00 15.70 ? 135 PRO A CD 1 ATOM 1213 N N . ASN A 1 136 ? 57.071 27.997 43.527 1.00 18.35 ? 136 ASN A N 1 ATOM 1214 C CA . ASN A 1 136 ? 57.794 26.867 44.140 1.00 20.56 ? 136 ASN A CA 1 ATOM 1215 C C . ASN A 1 136 ? 58.237 27.432 45.509 1.00 19.93 ? 136 ASN A C 1 ATOM 1216 O O . ASN A 1 136 ? 58.338 28.649 45.664 1.00 18.03 ? 136 ASN A O 1 ATOM 1217 C CB . ASN A 1 136 ? 59.065 26.491 43.349 1.00 21.04 ? 136 ASN A CB 1 ATOM 1218 C CG . ASN A 1 136 ? 58.787 25.558 42.177 1.00 20.34 ? 136 ASN A CG 1 ATOM 1219 O OD1 . ASN A 1 136 ? 59.651 25.333 41.340 1.00 23.36 ? 136 ASN A OD1 1 ATOM 1220 N ND2 . ASN A 1 136 ? 57.589 25.005 42.124 1.00 20.83 ? 136 ASN A ND2 1 ATOM 1221 H H . ASN A 1 136 ? 57.506 28.524 42.825 1.00 0.00 ? 136 ASN A H 1 ATOM 1222 H HD21 . ASN A 1 136 ? 56.905 25.169 42.803 1.00 0.00 ? 136 ASN A HD21 1 ATOM 1223 H HD22 . ASN A 1 136 ? 57.425 24.418 41.358 1.00 0.00 ? 136 ASN A HD22 1 ATOM 1224 N N . ASN A 1 137 ? 58.440 26.560 46.497 1.00 17.91 ? 137 ASN A N 1 ATOM 1225 C CA . ASN A 1 137 ? 58.873 26.959 47.842 1.00 17.66 ? 137 ASN A CA 1 ATOM 1226 C C . ASN A 1 137 ? 59.911 28.113 47.816 1.00 15.77 ? 137 ASN A C 1 ATOM 1227 O O . ASN A 1 137 ? 61.081 27.912 47.469 1.00 16.64 ? 137 ASN A O 1 ATOM 1228 C CB . ASN A 1 137 ? 59.411 25.700 48.555 1.00 19.03 ? 137 ASN A CB 1 ATOM 1229 C CG . ASN A 1 137 ? 59.821 25.939 50.011 1.00 20.40 ? 137 ASN A CG 1 ATOM 1230 O OD1 . ASN A 1 137 ? 59.565 26.998 50.599 1.00 19.78 ? 137 ASN A OD1 1 ATOM 1231 N ND2 . ASN A 1 137 ? 60.456 24.938 50.593 1.00 15.72 ? 137 ASN A ND2 1 ATOM 1232 H H . ASN A 1 137 ? 58.279 25.615 46.329 1.00 0.00 ? 137 ASN A H 1 ATOM 1233 H HD21 . ASN A 1 137 ? 60.603 24.138 50.062 1.00 0.00 ? 137 ASN A HD21 1 ATOM 1234 H HD22 . ASN A 1 137 ? 60.744 25.050 51.516 1.00 0.00 ? 137 ASN A HD22 1 ATOM 1235 N N . PRO A 1 138 ? 59.472 29.345 48.169 1.00 16.56 ? 138 PRO A N 1 ATOM 1236 C CA . PRO A 1 138 ? 60.297 30.562 48.205 1.00 16.97 ? 138 PRO A CA 1 ATOM 1237 C C . PRO A 1 138 ? 61.183 30.672 49.450 1.00 21.07 ? 138 PRO A C 1 ATOM 1238 O O . PRO A 1 138 ? 62.043 31.565 49.540 1.00 22.82 ? 138 PRO A O 1 ATOM 1239 C CB . PRO A 1 138 ? 59.259 31.678 48.169 1.00 14.57 ? 138 PRO A CB 1 ATOM 1240 C CG . PRO A 1 138 ? 58.141 31.116 48.972 1.00 17.87 ? 138 PRO A CG 1 ATOM 1241 C CD . PRO A 1 138 ? 58.069 29.660 48.514 1.00 16.70 ? 138 PRO A CD 1 ATOM 1242 N N . TRP A 1 139 ? 60.977 29.750 50.389 1.00 21.32 ? 139 TRP A N 1 ATOM 1243 C CA . TRP A 1 139 ? 61.748 29.696 51.635 1.00 22.62 ? 139 TRP A CA 1 ATOM 1244 C C . TRP A 1 139 ? 62.734 28.549 51.590 1.00 23.82 ? 139 TRP A C 1 ATOM 1245 O O . TRP A 1 139 ? 63.424 28.288 52.567 1.00 25.09 ? 139 TRP A O 1 ATOM 1246 C CB . TRP A 1 139 ? 60.812 29.495 52.832 1.00 18.79 ? 139 TRP A CB 1 ATOM 1247 C CG . TRP A 1 139 ? 60.074 30.747 53.225 1.00 20.74 ? 139 TRP A CG 1 ATOM 1248 C CD1 . TRP A 1 139 ? 58.757 31.037 52.998 1.00 18.53 ? 139 TRP A CD1 1 ATOM 1249 C CD2 . TRP A 1 139 ? 60.613 31.857 53.959 1.00 20.91 ? 139 TRP A CD2 1 ATOM 1250 N NE1 . TRP A 1 139 ? 58.440 32.255 53.556 1.00 22.72 ? 139 TRP A NE1 1 ATOM 1251 C CE2 . TRP A 1 139 ? 59.560 32.778 54.153 1.00 21.24 ? 139 TRP A CE2 1 ATOM 1252 C CE3 . TRP A 1 139 ? 61.886 32.155 54.485 1.00 21.79 ? 139 TRP A CE3 1 ATOM 1253 C CZ2 . TRP A 1 139 ? 59.737 33.979 54.855 1.00 20.81 ? 139 TRP A CZ2 1 ATOM 1254 C CZ3 . TRP A 1 139 ? 62.060 33.343 55.179 1.00 21.13 ? 139 TRP A CZ3 1 ATOM 1255 C CH2 . TRP A 1 139 ? 60.990 34.242 55.358 1.00 20.91 ? 139 TRP A CH2 1 ATOM 1256 H H . TRP A 1 139 ? 60.281 29.077 50.244 1.00 0.00 ? 139 TRP A H 1 ATOM 1257 H HE1 . TRP A 1 139 ? 57.577 32.694 53.505 1.00 0.00 ? 139 TRP A HE1 1 ATOM 1258 N N . GLU A 1 140 ? 62.819 27.890 50.435 1.00 26.55 ? 140 GLU A N 1 ATOM 1259 C CA . GLU A 1 140 ? 63.697 26.746 50.273 1.00 28.41 ? 140 GLU A CA 1 ATOM 1260 C C . GLU A 1 140 ? 65.114 26.911 50.837 1.00 30.86 ? 140 GLU A C 1 ATOM 1261 O O . GLU A 1 140 ? 65.634 25.994 51.468 1.00 29.61 ? 140 GLU A O 1 ATOM 1262 C CB . GLU A 1 140 ? 63.751 26.340 48.812 1.00 29.16 ? 140 GLU A CB 1 ATOM 1263 C CG . GLU A 1 140 ? 64.728 25.226 48.553 1.00 35.83 ? 140 GLU A CG 1 ATOM 1264 C CD . GLU A 1 140 ? 64.512 24.547 47.218 1.00 40.19 ? 140 GLU A CD 1 ATOM 1265 O OE1 . GLU A 1 140 ? 64.056 25.217 46.265 1.00 40.51 ? 140 GLU A OE1 1 ATOM 1266 O OE2 . GLU A 1 140 ? 64.787 23.330 47.135 1.00 41.16 ? 140 GLU A OE2 1 ATOM 1267 H H . GLU A 1 140 ? 62.276 28.177 49.672 1.00 0.00 ? 140 GLU A H 1 ATOM 1268 N N . THR A 1 141 ? 65.709 28.092 50.666 1.00 30.02 ? 141 THR A N 1 ATOM 1269 C CA . THR A 1 141 ? 67.068 28.337 51.145 1.00 30.65 ? 141 THR A CA 1 ATOM 1270 C C . THR A 1 141 ? 67.157 28.873 52.566 1.00 30.17 ? 141 THR A C 1 ATOM 1271 O O . THR A 1 141 ? 68.257 29.194 53.037 1.00 32.38 ? 141 THR A O 1 ATOM 1272 C CB . THR A 1 141 ? 67.811 29.345 50.246 1.00 32.55 ? 141 THR A CB 1 ATOM 1273 O OG1 . THR A 1 141 ? 67.150 30.616 50.324 1.00 32.11 ? 141 THR A OG1 1 ATOM 1274 C CG2 . THR A 1 141 ? 67.852 28.857 48.786 1.00 32.02 ? 141 THR A CG2 1 ATOM 1275 H H . THR A 1 141 ? 65.216 28.803 50.221 1.00 0.00 ? 141 THR A H 1 ATOM 1276 H HG1 . THR A 1 141 ? 67.159 30.950 51.225 1.00 0.00 ? 141 THR A HG1 1 ATOM 1277 N N . GLY A 1 142 ? 66.019 29.025 53.234 1.00 29.35 ? 142 GLY A N 1 ATOM 1278 C CA . GLY A 1 142 ? 66.045 29.547 54.590 1.00 28.82 ? 142 GLY A CA 1 ATOM 1279 C C . GLY A 1 142 ? 65.676 31.017 54.676 1.00 27.83 ? 142 GLY A C 1 ATOM 1280 O O . GLY A 1 142 ? 65.373 31.509 55.758 1.00 29.38 ? 142 GLY A O 1 ATOM 1281 H H . GLY A 1 142 ? 65.180 28.820 52.798 1.00 0.00 ? 142 GLY A H 1 ATOM 1282 N N . THR A 1 143 ? 65.785 31.731 53.556 1.00 27.66 ? 143 THR A N 1 ATOM 1283 C CA . THR A 1 143 ? 65.416 33.152 53.461 1.00 27.47 ? 143 THR A CA 1 ATOM 1284 C C . THR A 1 143 ? 64.424 33.256 52.299 1.00 28.62 ? 143 THR A C 1 ATOM 1285 O O . THR A 1 143 ? 64.426 32.425 51.378 1.00 27.20 ? 143 THR A O 1 ATOM 1286 C CB . THR A 1 143 ? 66.618 34.075 53.149 1.00 30.61 ? 143 THR A CB 1 ATOM 1287 O OG1 . THR A 1 143 ? 67.271 33.634 51.952 1.00 34.16 ? 143 THR A OG1 1 ATOM 1288 C CG2 . THR A 1 143 ? 67.618 34.068 54.279 1.00 33.26 ? 143 THR A CG2 1 ATOM 1289 H H . THR A 1 143 ? 66.129 31.289 52.753 1.00 0.00 ? 143 THR A H 1 ATOM 1290 H HG1 . THR A 1 143 ? 68.008 34.215 51.750 1.00 0.00 ? 143 THR A HG1 1 ATOM 1291 N N . PHE A 1 144 ? 63.589 34.282 52.337 1.00 26.59 ? 144 PHE A N 1 ATOM 1292 C CA . PHE A 1 144 ? 62.582 34.464 51.312 1.00 24.72 ? 144 PHE A CA 1 ATOM 1293 C C . PHE A 1 144 ? 63.123 35.004 50.007 1.00 26.27 ? 144 PHE A C 1 ATOM 1294 O O . PHE A 1 144 ? 63.773 36.052 49.962 1.00 22.21 ? 144 PHE A O 1 ATOM 1295 C CB . PHE A 1 144 ? 61.461 35.371 51.811 1.00 22.43 ? 144 PHE A CB 1 ATOM 1296 C CG . PHE A 1 144 ? 60.324 35.514 50.839 1.00 23.41 ? 144 PHE A CG 1 ATOM 1297 C CD1 . PHE A 1 144 ? 59.346 34.513 50.739 1.00 22.31 ? 144 PHE A CD1 1 ATOM 1298 C CD2 . PHE A 1 144 ? 60.216 36.653 50.036 1.00 20.29 ? 144 PHE A CD2 1 ATOM 1299 C CE1 . PHE A 1 144 ? 58.268 34.639 49.859 1.00 23.18 ? 144 PHE A CE1 1 ATOM 1300 C CE2 . PHE A 1 144 ? 59.148 36.798 49.149 1.00 22.93 ? 144 PHE A CE2 1 ATOM 1301 C CZ . PHE A 1 144 ? 58.165 35.786 49.060 1.00 24.19 ? 144 PHE A CZ 1 ATOM 1302 H H . PHE A 1 144 ? 63.653 34.933 53.066 1.00 0.00 ? 144 PHE A H 1 ATOM 1303 N N . VAL A 1 145 ? 62.814 34.287 48.936 1.00 27.81 ? 145 VAL A N 1 ATOM 1304 C CA . VAL A 1 145 ? 63.234 34.676 47.606 1.00 28.36 ? 145 VAL A CA 1 ATOM 1305 C C . VAL A 1 145 ? 62.022 34.861 46.713 1.00 29.55 ? 145 VAL A C 1 ATOM 1306 O O . VAL A 1 145 ? 61.226 33.943 46.524 1.00 28.09 ? 145 VAL A O 1 ATOM 1307 C CB . VAL A 1 145 ? 64.178 33.630 47.005 1.00 28.12 ? 145 VAL A CB 1 ATOM 1308 C CG1 . VAL A 1 145 ? 64.361 33.875 45.521 1.00 29.64 ? 145 VAL A CG1 1 ATOM 1309 C CG2 . VAL A 1 145 ? 65.525 33.693 47.715 1.00 26.67 ? 145 VAL A CG2 1 ATOM 1310 H H . VAL A 1 145 ? 62.273 33.480 49.043 1.00 0.00 ? 145 VAL A H 1 ATOM 1311 N N . ASN A 1 146 ? 61.859 36.073 46.205 1.00 31.26 ? 146 ASN A N 1 ATOM 1312 C CA . ASN A 1 146 ? 60.753 36.368 45.312 1.00 33.70 ? 146 ASN A CA 1 ATOM 1313 C C . ASN A 1 146 ? 61.235 36.359 43.852 1.00 33.38 ? 146 ASN A C 1 ATOM 1314 O O . ASN A 1 146 ? 61.810 37.341 43.394 1.00 36.79 ? 146 ASN A O 1 ATOM 1315 C CB . ASN A 1 146 ? 60.168 37.727 45.649 1.00 37.55 ? 146 ASN A CB 1 ATOM 1316 C CG . ASN A 1 146 ? 59.029 38.099 44.732 1.00 43.38 ? 146 ASN A CG 1 ATOM 1317 O OD1 . ASN A 1 146 ? 57.857 37.875 45.051 1.00 45.91 ? 146 ASN A OD1 1 ATOM 1318 N ND2 . ASN A 1 146 ? 59.365 38.633 43.560 1.00 46.01 ? 146 ASN A ND2 1 ATOM 1319 H H . ASN A 1 146 ? 62.499 36.780 46.427 1.00 0.00 ? 146 ASN A H 1 ATOM 1320 H HD21 . ASN A 1 146 ? 60.311 38.774 43.351 1.00 0.00 ? 146 ASN A HD21 1 ATOM 1321 H HD22 . ASN A 1 146 ? 58.639 38.865 42.944 1.00 0.00 ? 146 ASN A HD22 1 ATOM 1322 N N . SER A 1 147 ? 60.995 35.271 43.122 1.00 30.04 ? 147 SER A N 1 ATOM 1323 C CA . SER A 1 147 ? 61.435 35.193 41.729 1.00 28.82 ? 147 SER A CA 1 ATOM 1324 C C . SER A 1 147 ? 60.391 34.592 40.783 1.00 27.13 ? 147 SER A C 1 ATOM 1325 O O . SER A 1 147 ? 60.379 33.384 40.541 1.00 25.99 ? 147 SER A O 1 ATOM 1326 C CB . SER A 1 147 ? 62.754 34.415 41.623 1.00 31.54 ? 147 SER A CB 1 ATOM 1327 O OG . SER A 1 147 ? 62.651 33.143 42.238 1.00 32.19 ? 147 SER A OG 1 ATOM 1328 H H . SER A 1 147 ? 60.520 34.513 43.522 1.00 0.00 ? 147 SER A H 1 ATOM 1329 H HG . SER A 1 147 ? 62.423 33.258 43.163 1.00 0.00 ? 147 SER A HG 1 ATOM 1330 N N . PRO A 1 148 ? 59.529 35.438 40.195 1.00 23.67 ? 148 PRO A N 1 ATOM 1331 C CA . PRO A 1 148 ? 58.519 34.887 39.288 1.00 21.08 ? 148 PRO A CA 1 ATOM 1332 C C . PRO A 1 148 ? 59.117 34.340 37.987 1.00 20.20 ? 148 PRO A C 1 ATOM 1333 O O . PRO A 1 148 ? 60.231 34.684 37.591 1.00 17.61 ? 148 PRO A O 1 ATOM 1334 C CB . PRO A 1 148 ? 57.570 36.070 39.063 1.00 22.15 ? 148 PRO A CB 1 ATOM 1335 C CG . PRO A 1 148 ? 58.487 37.265 39.132 1.00 25.25 ? 148 PRO A CG 1 ATOM 1336 C CD . PRO A 1 148 ? 59.450 36.909 40.272 1.00 24.78 ? 148 PRO A CD 1 ATOM 1337 N N . THR A 1 149 ? 58.407 33.404 37.379 1.00 19.49 ? 149 THR A N 1 ATOM 1338 C CA . THR A 1 149 ? 58.875 32.824 36.131 1.00 19.83 ? 149 THR A CA 1 ATOM 1339 C C . THR A 1 149 ? 58.263 33.685 35.025 1.00 19.36 ? 149 THR A C 1 ATOM 1340 O O . THR A 1 149 ? 57.385 34.528 35.288 1.00 17.36 ? 149 THR A O 1 ATOM 1341 C CB . THR A 1 149 ? 58.401 31.373 35.983 1.00 16.77 ? 149 THR A CB 1 ATOM 1342 O OG1 . THR A 1 149 ? 56.977 31.356 35.921 1.00 17.65 ? 149 THR A OG1 1 ATOM 1343 C CG2 . THR A 1 149 ? 58.839 30.549 37.187 1.00 18.35 ? 149 THR A CG2 1 ATOM 1344 H H . THR A 1 149 ? 57.559 33.100 37.766 1.00 0.00 ? 149 THR A H 1 ATOM 1345 H HG1 . THR A 1 149 ? 56.615 31.736 36.725 1.00 0.00 ? 149 THR A HG1 1 ATOM 1346 N N . ARG A 1 150 ? 58.717 33.472 33.794 1.00 18.85 ? 150 ARG A N 1 ATOM 1347 C CA . ARG A 1 150 ? 58.188 34.228 32.676 1.00 16.91 ? 150 ARG A CA 1 ATOM 1348 C C . ARG A 1 150 ? 56.723 33.891 32.455 1.00 16.79 ? 150 ARG A C 1 ATOM 1349 O O . ARG A 1 150 ? 55.953 34.736 31.970 1.00 15.66 ? 150 ARG A O 1 ATOM 1350 C CB . ARG A 1 150 ? 59.002 33.960 31.409 1.00 19.98 ? 150 ARG A CB 1 ATOM 1351 C CG . ARG A 1 150 ? 58.911 32.546 30.913 1.00 24.72 ? 150 ARG A CG 1 ATOM 1352 C CD . ARG A 1 150 ? 59.822 32.360 29.731 1.00 31.24 ? 150 ARG A CD 1 ATOM 1353 N NE . ARG A 1 150 ? 59.969 30.958 29.349 1.00 34.44 ? 150 ARG A NE 1 ATOM 1354 C CZ . ARG A 1 150 ? 60.824 30.113 29.920 1.00 36.53 ? 150 ARG A CZ 1 ATOM 1355 N NH1 . ARG A 1 150 ? 61.608 30.519 30.907 1.00 37.85 ? 150 ARG A NH1 1 ATOM 1356 N NH2 . ARG A 1 150 ? 60.927 28.869 29.473 1.00 37.74 ? 150 ARG A NH2 1 ATOM 1357 H H . ARG A 1 150 ? 59.405 32.798 33.641 1.00 0.00 ? 150 ARG A H 1 ATOM 1358 H HE . ARG A 1 150 ? 59.401 30.614 28.629 1.00 0.00 ? 150 ARG A HE 1 ATOM 1359 H HH11 . ARG A 1 150 ? 61.567 31.463 31.234 1.00 0.00 ? 150 ARG A HH11 1 ATOM 1360 H HH12 . ARG A 1 150 ? 62.245 29.875 31.330 1.00 0.00 ? 150 ARG A HH12 1 ATOM 1361 H HH21 . ARG A 1 150 ? 60.363 28.562 28.707 1.00 0.00 ? 150 ARG A HH21 1 ATOM 1362 H HH22 . ARG A 1 150 ? 61.569 28.237 29.907 1.00 0.00 ? 150 ARG A HH22 1 ATOM 1363 N N . PHE A 1 151 ? 56.307 32.692 32.881 1.00 16.91 ? 151 PHE A N 1 ATOM 1364 C CA . PHE A 1 151 ? 54.916 32.264 32.698 1.00 15.29 ? 151 PHE A CA 1 ATOM 1365 C C . PHE A 1 151 ? 53.915 33.055 33.506 1.00 16.66 ? 151 PHE A C 1 ATOM 1366 O O . PHE A 1 151 ? 52.728 33.037 33.199 1.00 16.01 ? 151 PHE A O 1 ATOM 1367 C CB . PHE A 1 151 ? 54.770 30.764 32.937 1.00 14.62 ? 151 PHE A CB 1 ATOM 1368 C CG . PHE A 1 151 ? 55.653 29.954 32.055 1.00 15.00 ? 151 PHE A CG 1 ATOM 1369 C CD1 . PHE A 1 151 ? 56.782 29.329 32.570 1.00 14.91 ? 151 PHE A CD1 1 ATOM 1370 C CD2 . PHE A 1 151 ? 55.426 29.922 30.669 1.00 17.91 ? 151 PHE A CD2 1 ATOM 1371 C CE1 . PHE A 1 151 ? 57.690 28.692 31.734 1.00 18.28 ? 151 PHE A CE1 1 ATOM 1372 C CE2 . PHE A 1 151 ? 56.325 29.292 29.819 1.00 17.97 ? 151 PHE A CE2 1 ATOM 1373 C CZ . PHE A 1 151 ? 57.469 28.674 30.353 1.00 17.24 ? 151 PHE A CZ 1 ATOM 1374 H H . PHE A 1 151 ? 56.942 32.089 33.320 1.00 0.00 ? 151 PHE A H 1 ATOM 1375 N N . VAL A 1 152 ? 54.388 33.769 34.529 1.00 17.06 ? 152 VAL A N 1 ATOM 1376 C CA . VAL A 1 152 ? 53.494 34.593 35.338 1.00 18.75 ? 152 VAL A CA 1 ATOM 1377 C C . VAL A 1 152 ? 53.004 35.776 34.485 1.00 18.94 ? 152 VAL A C 1 ATOM 1378 O O . VAL A 1 152 ? 51.800 36.029 34.371 1.00 19.02 ? 152 VAL A O 1 ATOM 1379 C CB . VAL A 1 152 ? 54.204 35.101 36.612 1.00 19.57 ? 152 VAL A CB 1 ATOM 1380 C CG1 . VAL A 1 152 ? 53.334 36.134 37.323 1.00 18.26 ? 152 VAL A CG1 1 ATOM 1381 C CG2 . VAL A 1 152 ? 54.483 33.914 37.546 1.00 21.08 ? 152 VAL A CG2 1 ATOM 1382 H H . VAL A 1 152 ? 55.344 33.737 34.741 1.00 0.00 ? 152 VAL A H 1 ATOM 1383 N N . GLU A 1 153 ? 53.945 36.462 33.844 1.00 19.94 ? 153 GLU A N 1 ATOM 1384 C CA . GLU A 1 153 ? 53.599 37.594 33.001 1.00 21.97 ? 153 GLU A CA 1 ATOM 1385 C C . GLU A 1 153 ? 52.911 37.097 31.708 1.00 19.55 ? 153 GLU A C 1 ATOM 1386 O O . GLU A 1 153 ? 51.988 37.732 31.205 1.00 19.09 ? 153 GLU A O 1 ATOM 1387 C CB . GLU A 1 153 ? 54.855 38.390 32.684 1.00 28.51 ? 153 GLU A CB 1 ATOM 1388 C CG . GLU A 1 153 ? 54.575 39.774 32.147 1.00 43.86 ? 153 GLU A CG 1 ATOM 1389 C CD . GLU A 1 153 ? 55.786 40.355 31.422 1.00 53.87 ? 153 GLU A CD 1 ATOM 1390 O OE1 . GLU A 1 153 ? 56.617 41.020 32.098 1.00 57.36 ? 153 GLU A OE1 1 ATOM 1391 O OE2 . GLU A 1 153 ? 55.912 40.125 30.183 1.00 55.55 ? 153 GLU A OE2 1 ATOM 1392 H H . GLU A 1 153 ? 54.881 36.191 33.934 1.00 0.00 ? 153 GLU A H 1 ATOM 1393 N N . TYR A 1 154 ? 53.343 35.948 31.191 1.00 17.60 ? 154 TYR A N 1 ATOM 1394 C CA . TYR A 1 154 ? 52.734 35.369 29.986 1.00 16.99 ? 154 TYR A CA 1 ATOM 1395 C C . TYR A 1 154 ? 51.237 35.119 30.145 1.00 17.15 ? 154 TYR A C 1 ATOM 1396 O O . TYR A 1 154 ? 50.469 35.321 29.203 1.00 18.92 ? 154 TYR A O 1 ATOM 1397 C CB . TYR A 1 154 ? 53.410 34.054 29.596 1.00 15.83 ? 154 TYR A CB 1 ATOM 1398 C CG . TYR A 1 154 ? 54.746 34.192 28.907 1.00 17.00 ? 154 TYR A CG 1 ATOM 1399 C CD1 . TYR A 1 154 ? 55.387 35.426 28.808 1.00 18.71 ? 154 TYR A CD1 1 ATOM 1400 C CD2 . TYR A 1 154 ? 55.396 33.066 28.399 1.00 18.77 ? 154 TYR A CD2 1 ATOM 1401 C CE1 . TYR A 1 154 ? 56.662 35.535 28.224 1.00 21.93 ? 154 TYR A CE1 1 ATOM 1402 C CE2 . TYR A 1 154 ? 56.667 33.156 27.809 1.00 20.67 ? 154 TYR A CE2 1 ATOM 1403 C CZ . TYR A 1 154 ? 57.298 34.388 27.728 1.00 22.18 ? 154 TYR A CZ 1 ATOM 1404 O OH . TYR A 1 154 ? 58.568 34.459 27.184 1.00 22.42 ? 154 TYR A OH 1 ATOM 1405 H H . TYR A 1 154 ? 54.076 35.477 31.634 1.00 0.00 ? 154 TYR A H 1 ATOM 1406 H HH . TYR A 1 154 ? 58.879 35.367 27.198 1.00 0.00 ? 154 TYR A HH 1 ATOM 1407 N N . ALA A 1 155 ? 50.817 34.694 31.338 1.00 16.99 ? 155 ALA A N 1 ATOM 1408 C CA . ALA A 1 155 ? 49.411 34.428 31.602 1.00 16.33 ? 155 ALA A CA 1 ATOM 1409 C C . ALA A 1 155 ? 48.652 35.732 31.606 1.00 15.75 ? 155 ALA A C 1 ATOM 1410 O O . ALA A 1 155 ? 47.512 35.788 31.153 1.00 17.29 ? 155 ALA A O 1 ATOM 1411 C CB . ALA A 1 155 ? 49.244 33.730 32.944 1.00 15.24 ? 155 ALA A CB 1 ATOM 1412 H H . ALA A 1 155 ? 51.475 34.562 32.053 1.00 0.00 ? 155 ALA A H 1 ATOM 1413 N N . GLU A 1 156 ? 49.285 36.781 32.129 1.00 17.02 ? 156 GLU A N 1 ATOM 1414 C CA . GLU A 1 156 ? 48.639 38.091 32.183 1.00 19.35 ? 156 GLU A CA 1 ATOM 1415 C C . GLU A 1 156 ? 48.442 38.629 30.756 1.00 19.20 ? 156 GLU A C 1 ATOM 1416 O O . GLU A 1 156 ? 47.362 39.109 30.417 1.00 19.06 ? 156 GLU A O 1 ATOM 1417 C CB . GLU A 1 156 ? 49.440 39.080 33.043 1.00 16.80 ? 156 GLU A CB 1 ATOM 1418 C CG . GLU A 1 156 ? 48.685 40.382 33.217 1.00 22.34 ? 156 GLU A CG 1 ATOM 1419 C CD . GLU A 1 156 ? 49.371 41.386 34.133 1.00 27.29 ? 156 GLU A CD 1 ATOM 1420 O OE1 . GLU A 1 156 ? 50.586 41.256 34.411 1.00 32.26 ? 156 GLU A OE1 1 ATOM 1421 O OE2 . GLU A 1 156 ? 48.679 42.336 34.558 1.00 31.80 ? 156 GLU A OE2 1 ATOM 1422 H H . GLU A 1 156 ? 50.194 36.677 32.481 1.00 0.00 ? 156 GLU A H 1 ATOM 1423 N N . LEU A 1 157 ? 49.485 38.494 29.934 1.00 19.84 ? 157 LEU A N 1 ATOM 1424 C CA . LEU A 1 157 ? 49.477 38.905 28.525 1.00 18.83 ? 157 LEU A CA 1 ATOM 1425 C C . LEU A 1 157 ? 48.384 38.135 27.766 1.00 18.80 ? 157 LEU A C 1 ATOM 1426 O O . LEU A 1 157 ? 47.562 38.741 27.064 1.00 20.22 ? 157 LEU A O 1 ATOM 1427 C CB . LEU A 1 157 ? 50.853 38.636 27.905 1.00 20.61 ? 157 LEU A CB 1 ATOM 1428 C CG . LEU A 1 157 ? 51.329 39.246 26.570 1.00 27.44 ? 157 LEU A CG 1 ATOM 1429 C CD1 . LEU A 1 157 ? 51.563 38.137 25.566 1.00 28.50 ? 157 LEU A CD1 1 ATOM 1430 C CD2 . LEU A 1 157 ? 50.361 40.298 26.014 1.00 28.63 ? 157 LEU A CD2 1 ATOM 1431 H H . LEU A 1 157 ? 50.299 38.088 30.284 1.00 0.00 ? 157 LEU A H 1 ATOM 1432 N N . ALA A 1 158 ? 48.303 36.820 27.980 1.00 18.39 ? 158 ALA A N 1 ATOM 1433 C CA . ALA A 1 158 ? 47.286 35.992 27.317 1.00 17.30 ? 158 ALA A CA 1 ATOM 1434 C C . ALA A 1 158 ? 45.874 36.445 27.627 1.00 18.74 ? 158 ALA A C 1 ATOM 1435 O O . ALA A 1 158 ? 45.021 36.443 26.737 1.00 18.71 ? 158 ALA A O 1 ATOM 1436 C CB . ALA A 1 158 ? 47.452 34.505 27.668 1.00 14.37 ? 158 ALA A CB 1 ATOM 1437 H H . ALA A 1 158 ? 48.929 36.409 28.607 1.00 0.00 ? 158 ALA A H 1 ATOM 1438 N N . ALA A 1 159 ? 45.627 36.834 28.882 1.00 18.21 ? 159 ALA A N 1 ATOM 1439 C CA . ALA A 1 159 ? 44.297 37.283 29.299 1.00 16.71 ? 159 ALA A CA 1 ATOM 1440 C C . ALA A 1 159 ? 43.969 38.621 28.614 1.00 15.99 ? 159 ALA A C 1 ATOM 1441 O O . ALA A 1 159 ? 42.844 38.861 28.195 1.00 16.96 ? 159 ALA A O 1 ATOM 1442 C CB . ALA A 1 159 ? 44.236 37.416 30.837 1.00 14.52 ? 159 ALA A CB 1 ATOM 1443 H H . ALA A 1 159 ? 46.355 36.823 29.537 1.00 0.00 ? 159 ALA A H 1 ATOM 1444 N N . GLU A 1 160 ? 44.981 39.464 28.474 1.00 15.43 ? 160 GLU A N 1 ATOM 1445 C CA . GLU A 1 160 ? 44.826 40.767 27.838 1.00 21.42 ? 160 GLU A CA 1 ATOM 1446 C C . GLU A 1 160 ? 44.424 40.615 26.368 1.00 21.11 ? 160 GLU A C 1 ATOM 1447 O O . GLU A 1 160 ? 43.429 41.196 25.935 1.00 19.66 ? 160 GLU A O 1 ATOM 1448 C CB . GLU A 1 160 ? 46.142 41.508 27.939 1.00 23.24 ? 160 GLU A CB 1 ATOM 1449 C CG . GLU A 1 160 ? 46.063 42.988 27.833 1.00 35.10 ? 160 GLU A CG 1 ATOM 1450 C CD . GLU A 1 160 ? 47.414 43.601 28.080 1.00 41.13 ? 160 GLU A CD 1 ATOM 1451 O OE1 . GLU A 1 160 ? 48.060 44.010 27.093 1.00 42.89 ? 160 GLU A OE1 1 ATOM 1452 O OE2 . GLU A 1 160 ? 47.849 43.616 29.259 1.00 46.48 ? 160 GLU A OE2 1 ATOM 1453 H H . GLU A 1 160 ? 45.863 39.199 28.806 1.00 0.00 ? 160 GLU A H 1 ATOM 1454 N N . VAL A 1 161 ? 45.193 39.807 25.628 1.00 21.50 ? 161 VAL A N 1 ATOM 1455 C CA . VAL A 1 161 ? 44.961 39.515 24.202 1.00 20.37 ? 161 VAL A CA 1 ATOM 1456 C C . VAL A 1 161 ? 43.621 38.783 23.924 1.00 21.49 ? 161 VAL A C 1 ATOM 1457 O O . VAL A 1 161 ? 42.877 39.176 23.016 1.00 21.88 ? 161 VAL A O 1 ATOM 1458 C CB . VAL A 1 161 ? 46.172 38.725 23.611 1.00 19.90 ? 161 VAL A CB 1 ATOM 1459 C CG1 . VAL A 1 161 ? 45.824 38.079 22.287 1.00 20.30 ? 161 VAL A CG1 1 ATOM 1460 C CG2 . VAL A 1 161 ? 47.360 39.660 23.424 1.00 22.54 ? 161 VAL A CG2 1 ATOM 1461 H H . VAL A 1 161 ? 45.955 39.374 26.058 1.00 0.00 ? 161 VAL A H 1 ATOM 1462 N N . ALA A 1 162 ? 43.290 37.766 24.726 1.00 18.59 ? 162 ALA A N 1 ATOM 1463 C CA . ALA A 1 162 ? 42.036 37.015 24.562 1.00 16.12 ? 162 ALA A CA 1 ATOM 1464 C C . ALA A 1 162 ? 40.801 37.773 25.071 1.00 16.38 ? 162 ALA A C 1 ATOM 1465 O O . ALA A 1 162 ? 39.660 37.383 24.808 1.00 17.37 ? 162 ALA A O 1 ATOM 1466 C CB . ALA A 1 162 ? 42.130 35.661 25.287 1.00 16.96 ? 162 ALA A CB 1 ATOM 1467 H H . ALA A 1 162 ? 43.901 37.523 25.449 1.00 0.00 ? 162 ALA A H 1 ATOM 1468 N N . GLY A 1 163 ? 41.017 38.837 25.831 1.00 17.60 ? 163 GLY A N 1 ATOM 1469 C CA . GLY A 1 163 ? 39.882 39.567 26.373 1.00 17.46 ? 163 GLY A CA 1 ATOM 1470 C C . GLY A 1 163 ? 39.147 38.834 27.506 1.00 18.09 ? 163 GLY A C 1 ATOM 1471 O O . GLY A 1 163 ? 37.921 38.936 27.625 1.00 18.80 ? 163 GLY A O 1 ATOM 1472 H H . GLY A 1 163 ? 41.934 39.126 26.026 1.00 0.00 ? 163 GLY A H 1 ATOM 1473 N N . VAL A 1 164 ? 39.874 38.068 28.316 1.00 17.78 ? 164 VAL A N 1 ATOM 1474 C CA . VAL A 1 164 ? 39.247 37.358 29.442 1.00 18.79 ? 164 VAL A CA 1 ATOM 1475 C C . VAL A 1 164 ? 39.803 37.854 30.799 1.00 19.68 ? 164 VAL A C 1 ATOM 1476 O O . VAL A 1 164 ? 40.580 38.813 30.844 1.00 18.82 ? 164 VAL A O 1 ATOM 1477 C CB . VAL A 1 164 ? 39.369 35.803 29.299 1.00 19.82 ? 164 VAL A CB 1 ATOM 1478 C CG1 . VAL A 1 164 ? 38.636 35.340 28.000 1.00 18.17 ? 164 VAL A CG1 1 ATOM 1479 C CG2 . VAL A 1 164 ? 40.839 35.351 29.311 1.00 16.44 ? 164 VAL A CG2 1 ATOM 1480 H H . VAL A 1 164 ? 40.837 37.970 28.163 1.00 0.00 ? 164 VAL A H 1 ATOM 1481 N N . GLU A 1 165 ? 39.388 37.238 31.901 1.00 17.43 ? 165 GLU A N 1 ATOM 1482 C CA . GLU A 1 165 ? 39.883 37.682 33.194 1.00 17.18 ? 165 GLU A CA 1 ATOM 1483 C C . GLU A 1 165 ? 41.187 37.030 33.569 1.00 15.51 ? 165 GLU A C 1 ATOM 1484 O O . GLU A 1 165 ? 41.511 35.938 33.098 1.00 15.64 ? 165 GLU A O 1 ATOM 1485 C CB . GLU A 1 165 ? 38.840 37.444 34.277 1.00 15.29 ? 165 GLU A CB 1 ATOM 1486 C CG . GLU A 1 165 ? 37.594 38.270 34.054 1.00 18.99 ? 165 GLU A CG 1 ATOM 1487 C CD . GLU A 1 165 ? 36.516 37.964 35.055 1.00 18.99 ? 165 GLU A CD 1 ATOM 1488 O OE1 . GLU A 1 165 ? 35.924 36.877 34.955 1.00 16.43 ? 165 GLU A OE1 1 ATOM 1489 O OE2 . GLU A 1 165 ? 36.258 38.818 35.927 1.00 17.75 ? 165 GLU A OE2 1 ATOM 1490 H H . GLU A 1 165 ? 38.755 36.492 31.847 1.00 0.00 ? 165 GLU A H 1 ATOM 1491 N N . TYR A 1 166 ? 41.970 37.773 34.343 1.00 15.32 ? 166 TYR A N 1 ATOM 1492 C CA . TYR A 1 166 ? 43.257 37.335 34.855 1.00 16.83 ? 166 TYR A CA 1 ATOM 1493 C C . TYR A 1 166 ? 43.293 37.438 36.394 1.00 17.47 ? 166 TYR A C 1 ATOM 1494 O O . TYR A 1 166 ? 42.895 38.451 36.970 1.00 17.67 ? 166 TYR A O 1 ATOM 1495 C CB . TYR A 1 166 ? 44.371 38.206 34.297 1.00 13.45 ? 166 TYR A CB 1 ATOM 1496 C CG . TYR A 1 166 ? 45.709 37.945 34.948 1.00 14.45 ? 166 TYR A CG 1 ATOM 1497 C CD1 . TYR A 1 166 ? 46.354 36.733 34.790 1.00 11.25 ? 166 TYR A CD1 1 ATOM 1498 C CD2 . TYR A 1 166 ? 46.350 38.943 35.679 1.00 14.21 ? 166 TYR A CD2 1 ATOM 1499 C CE1 . TYR A 1 166 ? 47.613 36.526 35.325 1.00 14.86 ? 166 TYR A CE1 1 ATOM 1500 C CE2 . TYR A 1 166 ? 47.610 38.743 36.235 1.00 16.35 ? 166 TYR A CE2 1 ATOM 1501 C CZ . TYR A 1 166 ? 48.243 37.543 36.053 1.00 16.12 ? 166 TYR A CZ 1 ATOM 1502 O OH . TYR A 1 166 ? 49.508 37.370 36.578 1.00 18.99 ? 166 TYR A OH 1 ATOM 1503 H H . TYR A 1 166 ? 41.665 38.659 34.596 1.00 0.00 ? 166 TYR A H 1 ATOM 1504 H HH . TYR A 1 166 ? 49.790 38.169 37.030 1.00 0.00 ? 166 TYR A HH 1 ATOM 1505 N N . VAL A 1 167 ? 43.808 36.405 37.045 1.00 15.84 ? 167 VAL A N 1 ATOM 1506 C CA . VAL A 1 167 ? 43.936 36.392 38.502 1.00 14.16 ? 167 VAL A CA 1 ATOM 1507 C C . VAL A 1 167 ? 45.392 36.095 38.808 1.00 14.14 ? 167 VAL A C 1 ATOM 1508 O O . VAL A 1 167 ? 45.900 35.060 38.396 1.00 13.22 ? 167 VAL A O 1 ATOM 1509 C CB . VAL A 1 167 ? 43.038 35.316 39.149 1.00 13.84 ? 167 VAL A CB 1 ATOM 1510 C CG1 . VAL A 1 167 ? 43.455 35.095 40.601 1.00 18.59 ? 167 VAL A CG1 1 ATOM 1511 C CG2 . VAL A 1 167 ? 41.601 35.737 39.088 1.00 15.14 ? 167 VAL A CG2 1 ATOM 1512 H H . VAL A 1 167 ? 44.121 35.629 36.538 1.00 0.00 ? 167 VAL A H 1 ATOM 1513 N N . ASP A 1 168 ? 46.091 37.028 39.460 1.00 14.48 ? 168 ASP A N 1 ATOM 1514 C CA . ASP A 1 168 ? 47.499 36.822 39.792 1.00 16.00 ? 168 ASP A CA 1 ATOM 1515 C C . ASP A 1 168 ? 47.670 35.935 41.025 1.00 17.92 ? 168 ASP A C 1 ATOM 1516 O O . ASP A 1 168 ? 48.030 36.420 42.100 1.00 15.02 ? 168 ASP A O 1 ATOM 1517 C CB . ASP A 1 168 ? 48.227 38.151 39.987 1.00 15.30 ? 168 ASP A CB 1 ATOM 1518 C CG . ASP A 1 168 ? 49.722 38.001 40.028 1.00 13.92 ? 168 ASP A CG 1 ATOM 1519 O OD1 . ASP A 1 168 ? 50.259 36.876 39.989 1.00 15.94 ? 168 ASP A OD1 1 ATOM 1520 O OD2 . ASP A 1 168 ? 50.394 39.039 40.108 1.00 18.69 ? 168 ASP A OD2 1 ATOM 1521 H H . ASP A 1 168 ? 45.646 37.860 39.697 1.00 0.00 ? 168 ASP A H 1 ATOM 1522 N N . HIS A 1 169 ? 47.448 34.632 40.830 1.00 17.66 ? 169 HIS A N 1 ATOM 1523 C CA . HIS A 1 169 ? 47.550 33.623 41.884 1.00 15.73 ? 169 HIS A CA 1 ATOM 1524 C C . HIS A 1 169 ? 48.962 33.554 42.468 1.00 16.25 ? 169 HIS A C 1 ATOM 1525 O O . HIS A 1 169 ? 49.128 33.416 43.681 1.00 18.87 ? 169 HIS A O 1 ATOM 1526 C CB . HIS A 1 169 ? 47.096 32.250 41.350 1.00 15.01 ? 169 HIS A CB 1 ATOM 1527 C CG . HIS A 1 169 ? 46.817 31.244 42.426 1.00 14.81 ? 169 HIS A CG 1 ATOM 1528 N ND1 . HIS A 1 169 ? 46.549 29.921 42.161 1.00 14.55 ? 169 HIS A ND1 1 ATOM 1529 C CD2 . HIS A 1 169 ? 46.753 31.375 43.774 1.00 13.06 ? 169 HIS A CD2 1 ATOM 1530 C CE1 . HIS A 1 169 ? 46.326 29.280 43.294 1.00 16.13 ? 169 HIS A CE1 1 ATOM 1531 N NE2 . HIS A 1 169 ? 46.446 30.140 44.287 1.00 13.52 ? 169 HIS A NE2 1 ATOM 1532 H H . HIS A 1 169 ? 47.213 34.338 39.925 1.00 0.00 ? 169 HIS A H 1 ATOM 1533 H HD1 . HIS A 1 169 ? 46.483 29.470 41.339 1.00 0.00 ? 169 HIS A HD1 1 ATOM 1534 H HE2 . HIS A 1 169 ? 46.353 29.933 45.235 1.00 0.00 ? 169 HIS A HE2 1 ATOM 1535 N N . TRP A 1 170 ? 49.965 33.693 41.605 1.00 16.03 ? 170 TRP A N 1 ATOM 1536 C CA . TRP A 1 170 ? 51.363 33.676 42.003 1.00 14.89 ? 170 TRP A CA 1 ATOM 1537 C C . TRP A 1 170 ? 51.669 34.681 43.115 1.00 16.92 ? 170 TRP A C 1 ATOM 1538 O O . TRP A 1 170 ? 52.316 34.346 44.104 1.00 17.83 ? 170 TRP A O 1 ATOM 1539 C CB . TRP A 1 170 ? 52.251 34.025 40.806 1.00 16.07 ? 170 TRP A CB 1 ATOM 1540 C CG . TRP A 1 170 ? 53.656 34.375 41.194 1.00 18.49 ? 170 TRP A CG 1 ATOM 1541 C CD1 . TRP A 1 170 ? 54.116 35.581 41.708 1.00 18.50 ? 170 TRP A CD1 1 ATOM 1542 C CD2 . TRP A 1 170 ? 54.761 33.494 41.209 1.00 18.56 ? 170 TRP A CD2 1 ATOM 1543 N NE1 . TRP A 1 170 ? 55.431 35.476 42.058 1.00 18.85 ? 170 TRP A NE1 1 ATOM 1544 C CE2 . TRP A 1 170 ? 55.858 34.205 41.763 1.00 20.05 ? 170 TRP A CE2 1 ATOM 1545 C CE3 . TRP A 1 170 ? 54.943 32.171 40.801 1.00 19.60 ? 170 TRP A CE3 1 ATOM 1546 C CZ2 . TRP A 1 170 ? 57.120 33.625 41.919 1.00 23.46 ? 170 TRP A CZ2 1 ATOM 1547 C CZ3 . TRP A 1 170 ? 56.200 31.593 40.948 1.00 24.11 ? 170 TRP A CZ3 1 ATOM 1548 C CH2 . TRP A 1 170 ? 57.275 32.318 41.505 1.00 26.62 ? 170 TRP A CH2 1 ATOM 1549 H H . TRP A 1 170 ? 49.742 33.813 40.659 1.00 0.00 ? 170 TRP A H 1 ATOM 1550 H HE1 . TRP A 1 170 ? 55.883 36.228 42.465 1.00 0.00 ? 170 TRP A HE1 1 ATOM 1551 N N . SER A 1 171 ? 51.296 35.934 42.884 1.00 15.63 ? 171 SER A N 1 ATOM 1552 C CA . SER A 1 171 ? 51.565 37.012 43.828 1.00 14.47 ? 171 SER A CA 1 ATOM 1553 C C . SER A 1 171 ? 50.869 36.849 45.166 1.00 14.10 ? 171 SER A C 1 ATOM 1554 O O . SER A 1 171 ? 51.453 37.117 46.199 1.00 13.35 ? 171 SER A O 1 ATOM 1555 C CB . SER A 1 171 ? 51.204 38.357 43.207 1.00 15.98 ? 171 SER A CB 1 ATOM 1556 O OG . SER A 1 171 ? 52.185 38.714 42.259 1.00 17.00 ? 171 SER A OG 1 ATOM 1557 H H . SER A 1 171 ? 50.820 36.136 42.052 1.00 0.00 ? 171 SER A H 1 ATOM 1558 H HG . SER A 1 171 ? 51.935 39.541 41.840 1.00 0.00 ? 171 SER A HG 1 ATOM 1559 N N . TYR A 1 172 ? 49.618 36.421 45.131 1.00 14.31 ? 172 TYR A N 1 ATOM 1560 C CA . TYR A 1 172 ? 48.874 36.223 46.339 1.00 15.86 ? 172 TYR A CA 1 ATOM 1561 C C . TYR A 1 172 ? 49.409 35.079 47.181 1.00 16.62 ? 172 TYR A C 1 ATOM 1562 O O . TYR A 1 172 ? 49.368 35.156 48.403 1.00 17.11 ? 172 TYR A O 1 ATOM 1563 C CB . TYR A 1 172 ? 47.397 36.083 46.022 1.00 15.72 ? 172 TYR A CB 1 ATOM 1564 C CG . TYR A 1 172 ? 46.755 37.434 45.865 1.00 15.44 ? 172 TYR A CG 1 ATOM 1565 C CD1 . TYR A 1 172 ? 46.769 38.101 44.633 1.00 13.23 ? 172 TYR A CD1 1 ATOM 1566 C CD2 . TYR A 1 172 ? 46.192 38.082 46.968 1.00 15.69 ? 172 TYR A CD2 1 ATOM 1567 C CE1 . TYR A 1 172 ? 46.239 39.384 44.505 1.00 15.40 ? 172 TYR A CE1 1 ATOM 1568 C CE2 . TYR A 1 172 ? 45.653 39.370 46.863 1.00 14.95 ? 172 TYR A CE2 1 ATOM 1569 C CZ . TYR A 1 172 ? 45.676 40.023 45.627 1.00 18.49 ? 172 TYR A CZ 1 ATOM 1570 O OH . TYR A 1 172 ? 45.125 41.289 45.514 1.00 15.15 ? 172 TYR A OH 1 ATOM 1571 H H . TYR A 1 172 ? 49.198 36.237 44.264 1.00 0.00 ? 172 TYR A H 1 ATOM 1572 H HH . TYR A 1 172 ? 44.761 41.559 46.360 1.00 0.00 ? 172 TYR A HH 1 ATOM 1573 N N . VAL A 1 173 ? 49.903 34.019 46.545 1.00 16.74 ? 173 VAL A N 1 ATOM 1574 C CA . VAL A 1 173 ? 50.490 32.911 47.306 1.00 15.10 ? 173 VAL A CA 1 ATOM 1575 C C . VAL A 1 173 ? 51.866 33.329 47.862 1.00 16.07 ? 173 VAL A C 1 ATOM 1576 O O . VAL A 1 173 ? 52.201 33.033 49.009 1.00 17.69 ? 173 VAL A O 1 ATOM 1577 C CB . VAL A 1 173 ? 50.673 31.619 46.467 1.00 13.84 ? 173 VAL A CB 1 ATOM 1578 C CG1 . VAL A 1 173 ? 51.258 30.532 47.347 1.00 13.03 ? 173 VAL A CG1 1 ATOM 1579 C CG2 . VAL A 1 173 ? 49.340 31.142 45.867 1.00 13.79 ? 173 VAL A CG2 1 ATOM 1580 H H . VAL A 1 173 ? 49.879 33.986 45.566 1.00 0.00 ? 173 VAL A H 1 ATOM 1581 N N . ASP A 1 174 ? 52.673 34.007 47.055 1.00 14.62 ? 174 ASP A N 1 ATOM 1582 C CA . ASP A 1 174 ? 53.989 34.433 47.512 1.00 15.50 ? 174 ASP A CA 1 ATOM 1583 C C . ASP A 1 174 ? 53.922 35.450 48.638 1.00 15.38 ? 174 ASP A C 1 ATOM 1584 O O . ASP A 1 174 ? 54.770 35.469 49.517 1.00 16.91 ? 174 ASP A O 1 ATOM 1585 C CB . ASP A 1 174 ? 54.806 34.990 46.359 1.00 17.07 ? 174 ASP A CB 1 ATOM 1586 C CG . ASP A 1 174 ? 56.072 34.206 46.134 1.00 19.82 ? 174 ASP A CG 1 ATOM 1587 O OD1 . ASP A 1 174 ? 56.214 33.112 46.722 1.00 22.78 ? 174 ASP A OD1 1 ATOM 1588 O OD2 . ASP A 1 174 ? 56.947 34.689 45.403 1.00 23.84 ? 174 ASP A OD2 1 ATOM 1589 H H . ASP A 1 174 ? 52.377 34.224 46.149 1.00 0.00 ? 174 ASP A H 1 ATOM 1590 N N . SER A 1 175 ? 52.888 36.280 48.595 1.00 16.82 ? 175 SER A N 1 ATOM 1591 C CA . SER A 1 175 ? 52.639 37.300 49.595 1.00 19.02 ? 175 SER A CA 1 ATOM 1592 C C . SER A 1 175 ? 52.293 36.635 50.941 1.00 17.22 ? 175 SER A C 1 ATOM 1593 O O . SER A 1 175 ? 52.892 36.962 51.967 1.00 20.60 ? 175 SER A O 1 ATOM 1594 C CB . SER A 1 175 ? 51.508 38.214 49.112 1.00 19.43 ? 175 SER A CB 1 ATOM 1595 O OG . SER A 1 175 ? 50.849 38.834 50.196 1.00 30.42 ? 175 SER A OG 1 ATOM 1596 H H . SER A 1 175 ? 52.257 36.189 47.854 1.00 0.00 ? 175 SER A H 1 ATOM 1597 H HG . SER A 1 175 ? 50.404 38.173 50.731 1.00 0.00 ? 175 SER A HG 1 ATOM 1598 N N . ILE A 1 176 ? 51.383 35.667 50.922 1.00 13.60 ? 176 ILE A N 1 ATOM 1599 C CA . ILE A 1 176 ? 51.003 34.969 52.143 1.00 16.34 ? 176 ILE A CA 1 ATOM 1600 C C . ILE A 1 176 ? 52.152 34.059 52.662 1.00 16.93 ? 176 ILE A C 1 ATOM 1601 O O . ILE A 1 176 ? 52.399 33.992 53.864 1.00 16.62 ? 176 ILE A O 1 ATOM 1602 C CB . ILE A 1 176 ? 49.630 34.235 51.969 1.00 16.95 ? 176 ILE A CB 1 ATOM 1603 C CG1 . ILE A 1 176 ? 48.894 34.185 53.303 1.00 21.66 ? 176 ILE A CG1 1 ATOM 1604 C CG2 . ILE A 1 176 ? 49.799 32.827 51.451 1.00 17.05 ? 176 ILE A CG2 1 ATOM 1605 C CD1 . ILE A 1 176 ? 48.576 35.575 53.849 1.00 24.54 ? 176 ILE A CD1 1 ATOM 1606 H H . ILE A 1 176 ? 50.965 35.419 50.071 1.00 0.00 ? 176 ILE A H 1 ATOM 1607 N N . TYR A 1 177 ? 52.906 33.439 51.757 1.00 15.85 ? 177 TYR A N 1 ATOM 1608 C CA . TYR A 1 177 ? 54.021 32.578 52.136 1.00 15.91 ? 177 TYR A CA 1 ATOM 1609 C C . TYR A 1 177 ? 55.061 33.442 52.836 1.00 19.71 ? 177 TYR A C 1 ATOM 1610 O O . TYR A 1 177 ? 55.745 32.994 53.754 1.00 17.71 ? 177 TYR A O 1 ATOM 1611 C CB . TYR A 1 177 ? 54.688 31.974 50.896 1.00 15.80 ? 177 TYR A CB 1 ATOM 1612 C CG . TYR A 1 177 ? 54.097 30.682 50.376 1.00 15.89 ? 177 TYR A CG 1 ATOM 1613 C CD1 . TYR A 1 177 ? 53.104 30.006 51.079 1.00 14.36 ? 177 TYR A CD1 1 ATOM 1614 C CD2 . TYR A 1 177 ? 54.546 30.130 49.164 1.00 14.68 ? 177 TYR A CD2 1 ATOM 1615 C CE1 . TYR A 1 177 ? 52.554 28.798 50.596 1.00 16.03 ? 177 TYR A CE1 1 ATOM 1616 C CE2 . TYR A 1 177 ? 54.010 28.932 48.667 1.00 16.09 ? 177 TYR A CE2 1 ATOM 1617 C CZ . TYR A 1 177 ? 53.017 28.272 49.384 1.00 16.30 ? 177 TYR A CZ 1 ATOM 1618 O OH . TYR A 1 177 ? 52.484 27.097 48.909 1.00 15.18 ? 177 TYR A OH 1 ATOM 1619 H H . TYR A 1 177 ? 52.717 33.580 50.811 1.00 0.00 ? 177 TYR A H 1 ATOM 1620 H HH . TYR A 1 177 ? 51.785 26.810 49.502 1.00 0.00 ? 177 TYR A HH 1 ATOM 1621 N N . GLU A 1 178 ? 55.237 34.666 52.346 1.00 19.62 ? 178 GLU A N 1 ATOM 1622 C CA . GLU A 1 178 ? 56.207 35.548 52.957 1.00 22.75 ? 178 GLU A CA 1 ATOM 1623 C C . GLU A 1 178 ? 55.832 35.850 54.399 1.00 24.25 ? 178 GLU A C 1 ATOM 1624 O O . GLU A 1 178 ? 56.691 35.870 55.270 1.00 25.44 ? 178 GLU A O 1 ATOM 1625 C CB . GLU A 1 178 ? 56.329 36.853 52.194 1.00 25.77 ? 178 GLU A CB 1 ATOM 1626 C CG . GLU A 1 178 ? 57.412 37.729 52.781 1.00 32.48 ? 178 GLU A CG 1 ATOM 1627 C CD . GLU A 1 178 ? 57.642 38.999 51.999 1.00 40.31 ? 178 GLU A CD 1 ATOM 1628 O OE1 . GLU A 1 178 ? 56.668 39.509 51.386 1.00 44.35 ? 178 GLU A OE1 1 ATOM 1629 O OE2 . GLU A 1 178 ? 58.801 39.492 52.006 1.00 42.13 ? 178 GLU A OE2 1 ATOM 1630 H H . GLU A 1 178 ? 54.706 34.971 51.583 1.00 0.00 ? 178 GLU A H 1 ATOM 1631 N N . THR A 1 179 ? 54.551 36.077 54.647 1.00 23.68 ? 179 THR A N 1 ATOM 1632 C CA . THR A 1 179 ? 54.083 36.382 55.988 1.00 26.12 ? 179 THR A CA 1 ATOM 1633 C C . THR A 1 179 ? 54.015 35.145 56.895 1.00 27.44 ? 179 THR A C 1 ATOM 1634 O O . THR A 1 179 ? 54.057 35.277 58.120 1.00 28.57 ? 179 THR A O 1 ATOM 1635 C CB . THR A 1 179 ? 52.692 37.093 55.973 1.00 27.12 ? 179 THR A CB 1 ATOM 1636 O OG1 . THR A 1 179 ? 51.679 36.186 55.532 1.00 28.87 ? 179 THR A OG1 1 ATOM 1637 C CG2 . THR A 1 179 ? 52.706 38.294 55.043 1.00 29.12 ? 179 THR A CG2 1 ATOM 1638 H H . THR A 1 179 ? 53.905 36.036 53.911 1.00 0.00 ? 179 THR A H 1 ATOM 1639 H HG1 . THR A 1 179 ? 50.827 36.626 55.528 1.00 0.00 ? 179 THR A HG1 1 ATOM 1640 N N . LEU A 1 180 ? 53.902 33.954 56.308 1.00 25.32 ? 180 LEU A N 1 ATOM 1641 C CA . LEU A 1 180 ? 53.827 32.715 57.089 1.00 23.76 ? 180 LEU A CA 1 ATOM 1642 C C . LEU A 1 180 ? 55.153 32.356 57.756 1.00 24.99 ? 180 LEU A C 1 ATOM 1643 O O . LEU A 1 180 ? 55.175 31.821 58.873 1.00 25.37 ? 180 LEU A O 1 ATOM 1644 C CB . LEU A 1 180 ? 53.334 31.545 56.229 1.00 24.18 ? 180 LEU A CB 1 ATOM 1645 C CG . LEU A 1 180 ? 51.837 31.608 55.913 1.00 24.03 ? 180 LEU A CG 1 ATOM 1646 C CD1 . LEU A 1 180 ? 51.435 30.473 55.026 1.00 25.70 ? 180 LEU A CD1 1 ATOM 1647 C CD2 . LEU A 1 180 ? 51.047 31.568 57.219 1.00 28.42 ? 180 LEU A CD2 1 ATOM 1648 H H . LEU A 1 180 ? 53.880 33.908 55.330 1.00 0.00 ? 180 LEU A H 1 ATOM 1649 N N . GLY A 1 181 ? 56.257 32.673 57.084 1.00 22.90 ? 181 GLY A N 1 ATOM 1650 C CA . GLY A 1 181 ? 57.563 32.387 57.648 1.00 23.70 ? 181 GLY A CA 1 ATOM 1651 C C . GLY A 1 181 ? 58.206 31.101 57.154 1.00 23.28 ? 181 GLY A C 1 ATOM 1652 O O . GLY A 1 181 ? 57.535 30.203 56.617 1.00 22.93 ? 181 GLY A O 1 ATOM 1653 H H . GLY A 1 181 ? 56.186 33.097 56.203 1.00 0.00 ? 181 GLY A H 1 ATOM 1654 N N . ASN A 1 182 ? 59.512 31.004 57.397 1.00 21.93 ? 182 ASN A N 1 ATOM 1655 C CA . ASN A 1 182 ? 60.321 29.877 56.973 1.00 21.62 ? 182 ASN A CA 1 ATOM 1656 C C . ASN A 1 182 ? 59.880 28.477 57.412 1.00 23.29 ? 182 ASN A C 1 ATOM 1657 O O . ASN A 1 182 ? 59.610 27.629 56.557 1.00 23.06 ? 182 ASN A O 1 ATOM 1658 C CB . ASN A 1 182 ? 61.784 30.134 57.334 1.00 22.54 ? 182 ASN A CB 1 ATOM 1659 C CG . ASN A 1 182 ? 62.657 28.961 57.019 1.00 26.41 ? 182 ASN A CG 1 ATOM 1660 O OD1 . ASN A 1 182 ? 62.983 28.703 55.867 1.00 26.66 ? 182 ASN A OD1 1 ATOM 1661 N ND2 . ASN A 1 182 ? 63.065 28.259 58.064 1.00 30.51 ? 182 ASN A ND2 1 ATOM 1662 H H . ASN A 1 182 ? 59.948 31.731 57.883 1.00 0.00 ? 182 ASN A H 1 ATOM 1663 H HD22 . ASN A 1 182 ? 62.758 28.502 58.962 1.00 0.00 ? 182 ASN A HD22 1 ATOM 1664 N N . ALA A 1 183 ? 59.787 28.247 58.728 1.00 23.23 ? 183 ALA A N 1 ATOM 1665 C CA . ALA A 1 183 ? 59.408 26.944 59.290 1.00 22.04 ? 183 ALA A CA 1 ATOM 1666 C C . ALA A 1 183 ? 58.081 26.422 58.772 1.00 22.78 ? 183 ALA A C 1 ATOM 1667 O O . ALA A 1 183 ? 57.975 25.257 58.380 1.00 22.01 ? 183 ALA A O 1 ATOM 1668 C CB . ALA A 1 183 ? 59.385 27.009 60.814 1.00 22.23 ? 183 ALA A CB 1 ATOM 1669 H H . ALA A 1 183 ? 59.979 28.986 59.341 1.00 0.00 ? 183 ALA A H 1 ATOM 1670 N N . THR A 1 184 ? 57.074 27.293 58.760 1.00 21.53 ? 184 THR A N 1 ATOM 1671 C CA . THR A 1 184 ? 55.739 26.931 58.283 1.00 21.60 ? 184 THR A CA 1 ATOM 1672 C C . THR A 1 184 ? 55.657 26.613 56.786 1.00 18.47 ? 184 THR A C 1 ATOM 1673 O O . THR A 1 184 ? 55.092 25.598 56.406 1.00 15.36 ? 184 THR A O 1 ATOM 1674 C CB . THR A 1 184 ? 54.693 28.026 58.611 1.00 22.66 ? 184 THR A CB 1 ATOM 1675 O OG1 . THR A 1 184 ? 54.696 28.282 60.022 1.00 26.33 ? 184 THR A OG1 1 ATOM 1676 C CG2 . THR A 1 184 ? 53.274 27.586 58.172 1.00 23.25 ? 184 THR A CG2 1 ATOM 1677 H H . THR A 1 184 ? 57.242 28.204 59.073 1.00 0.00 ? 184 THR A H 1 ATOM 1678 H HG1 . THR A 1 184 ? 54.510 27.469 60.498 1.00 0.00 ? 184 THR A HG1 1 ATOM 1679 N N . VAL A 1 185 ? 56.207 27.470 55.936 1.00 17.53 ? 185 VAL A N 1 ATOM 1680 C CA . VAL A 1 185 ? 56.120 27.215 54.500 1.00 18.85 ? 185 VAL A CA 1 ATOM 1681 C C . VAL A 1 185 ? 56.905 25.972 54.107 1.00 18.17 ? 185 VAL A C 1 ATOM 1682 O O . VAL A 1 185 ? 56.446 25.189 53.292 1.00 19.23 ? 185 VAL A O 1 ATOM 1683 C CB . VAL A 1 185 ? 56.504 28.461 53.657 1.00 18.24 ? 185 VAL A CB 1 ATOM 1684 C CG1 . VAL A 1 185 ? 56.491 28.136 52.167 1.00 15.88 ? 185 VAL A CG1 1 ATOM 1685 C CG2 . VAL A 1 185 ? 55.508 29.580 53.953 1.00 17.61 ? 185 VAL A CG2 1 ATOM 1686 H H . VAL A 1 185 ? 56.672 28.267 56.265 1.00 0.00 ? 185 VAL A H 1 ATOM 1687 N N . ASN A 1 186 ? 58.039 25.746 54.761 1.00 18.30 ? 186 ASN A N 1 ATOM 1688 C CA . ASN A 1 186 ? 58.843 24.572 54.475 1.00 18.03 ? 186 ASN A CA 1 ATOM 1689 C C . ASN A 1 186 ? 58.087 23.294 54.815 1.00 18.23 ? 186 ASN A C 1 ATOM 1690 O O . ASN A 1 186 ? 58.205 22.292 54.111 1.00 21.06 ? 186 ASN A O 1 ATOM 1691 C CB . ASN A 1 186 ? 60.196 24.644 55.190 1.00 17.44 ? 186 ASN A CB 1 ATOM 1692 C CG . ASN A 1 186 ? 61.246 25.324 54.349 1.00 18.37 ? 186 ASN A CG 1 ATOM 1693 O OD1 . ASN A 1 186 ? 61.552 24.865 53.259 1.00 16.79 ? 186 ASN A OD1 1 ATOM 1694 N ND2 . ASN A 1 186 ? 61.767 26.447 54.826 1.00 20.66 ? 186 ASN A ND2 1 ATOM 1695 H H . ASN A 1 186 ? 58.329 26.380 55.448 1.00 0.00 ? 186 ASN A H 1 ATOM 1696 H HD21 . ASN A 1 186 ? 61.449 26.780 55.691 1.00 0.00 ? 186 ASN A HD21 1 ATOM 1697 H HD22 . ASN A 1 186 ? 62.453 26.897 54.290 1.00 0.00 ? 186 ASN A HD22 1 ATOM 1698 N N . SER A 1 187 ? 57.230 23.360 55.826 1.00 16.57 ? 187 SER A N 1 ATOM 1699 C CA . SER A 1 187 ? 56.446 22.203 56.216 1.00 15.93 ? 187 SER A CA 1 ATOM 1700 C C . SER A 1 187 ? 55.381 21.862 55.158 1.00 15.45 ? 187 SER A C 1 ATOM 1701 O O . SER A 1 187 ? 54.838 20.763 55.153 1.00 15.92 ? 187 SER A O 1 ATOM 1702 C CB . SER A 1 187 ? 55.801 22.432 57.584 1.00 15.64 ? 187 SER A CB 1 ATOM 1703 O OG . SER A 1 187 ? 54.578 23.136 57.468 1.00 18.82 ? 187 SER A OG 1 ATOM 1704 H H . SER A 1 187 ? 57.121 24.203 56.315 1.00 0.00 ? 187 SER A H 1 ATOM 1705 H HG . SER A 1 187 ? 53.928 22.604 57.004 1.00 0.00 ? 187 SER A HG 1 ATOM 1706 N N . TYR A 1 188 ? 55.061 22.813 54.283 1.00 15.64 ? 188 TYR A N 1 ATOM 1707 C CA . TYR A 1 188 ? 54.073 22.576 53.233 1.00 15.30 ? 188 TYR A CA 1 ATOM 1708 C C . TYR A 1 188 ? 54.635 21.780 52.074 1.00 13.18 ? 188 TYR A C 1 ATOM 1709 O O . TYR A 1 188 ? 53.876 21.295 51.255 1.00 15.86 ? 188 TYR A O 1 ATOM 1710 C CB . TYR A 1 188 ? 53.557 23.882 52.667 1.00 14.10 ? 188 TYR A CB 1 ATOM 1711 C CG . TYR A 1 188 ? 52.776 24.723 53.637 1.00 15.28 ? 188 TYR A CG 1 ATOM 1712 C CD1 . TYR A 1 188 ? 52.684 26.096 53.453 1.00 16.17 ? 188 TYR A CD1 1 ATOM 1713 C CD2 . TYR A 1 188 ? 52.078 24.147 54.692 1.00 14.08 ? 188 TYR A CD2 1 ATOM 1714 C CE1 . TYR A 1 188 ? 51.909 26.883 54.284 1.00 16.85 ? 188 TYR A CE1 1 ATOM 1715 C CE2 . TYR A 1 188 ? 51.296 24.928 55.533 1.00 17.18 ? 188 TYR A CE2 1 ATOM 1716 C CZ . TYR A 1 188 ? 51.213 26.300 55.313 1.00 16.20 ? 188 TYR A CZ 1 ATOM 1717 O OH . TYR A 1 188 ? 50.395 27.094 56.079 1.00 18.14 ? 188 TYR A OH 1 ATOM 1718 H H . TYR A 1 188 ? 55.488 23.689 54.354 1.00 0.00 ? 188 TYR A H 1 ATOM 1719 H HH . TYR A 1 188 ? 50.436 28.004 55.781 1.00 0.00 ? 188 TYR A HH 1 ATOM 1720 N N . PHE A 1 189 ? 55.957 21.698 51.995 1.00 13.61 ? 189 PHE A N 1 ATOM 1721 C CA . PHE A 1 189 ? 56.657 20.999 50.907 1.00 16.61 ? 189 PHE A CA 1 ATOM 1722 C C . PHE A 1 189 ? 57.402 19.758 51.426 1.00 18.46 ? 189 PHE A C 1 ATOM 1723 O O . PHE A 1 189 ? 58.636 19.763 51.585 1.00 17.80 ? 189 PHE A O 1 ATOM 1724 C CB . PHE A 1 189 ? 57.607 21.992 50.210 1.00 14.64 ? 189 PHE A CB 1 ATOM 1725 C CG . PHE A 1 189 ? 56.887 23.130 49.525 1.00 17.24 ? 189 PHE A CG 1 ATOM 1726 C CD1 . PHE A 1 189 ? 56.599 24.310 50.212 1.00 14.77 ? 189 PHE A CD1 1 ATOM 1727 C CD2 . PHE A 1 189 ? 56.415 22.988 48.211 1.00 17.85 ? 189 PHE A CD2 1 ATOM 1728 C CE1 . PHE A 1 189 ? 55.841 25.331 49.607 1.00 15.13 ? 189 PHE A CE1 1 ATOM 1729 C CE2 . PHE A 1 189 ? 55.660 23.998 47.606 1.00 19.08 ? 189 PHE A CE2 1 ATOM 1730 C CZ . PHE A 1 189 ? 55.371 25.180 48.315 1.00 17.90 ? 189 PHE A CZ 1 ATOM 1731 H H . PHE A 1 189 ? 56.498 22.124 52.692 1.00 0.00 ? 189 PHE A H 1 ATOM 1732 N N . PRO A 1 190 ? 56.662 18.644 51.591 1.00 20.51 ? 190 PRO A N 1 ATOM 1733 C CA . PRO A 1 190 ? 57.209 17.382 52.099 1.00 21.78 ? 190 PRO A CA 1 ATOM 1734 C C . PRO A 1 190 ? 58.260 16.608 51.316 1.00 23.72 ? 190 PRO A C 1 ATOM 1735 O O . PRO A 1 190 ? 59.150 16.008 51.927 1.00 25.93 ? 190 PRO A O 1 ATOM 1736 C CB . PRO A 1 190 ? 55.950 16.537 52.343 1.00 21.84 ? 190 PRO A CB 1 ATOM 1737 C CG . PRO A 1 190 ? 55.022 16.986 51.266 1.00 22.64 ? 190 PRO A CG 1 ATOM 1738 C CD . PRO A 1 190 ? 55.233 18.493 51.234 1.00 20.04 ? 190 PRO A CD 1 ATOM 1739 N N . ILE A 1 191 ? 58.204 16.629 49.988 1.00 22.31 ? 191 ILE A N 1 ATOM 1740 C CA . ILE A 1 191 ? 59.146 15.829 49.210 1.00 23.84 ? 191 ILE A CA 1 ATOM 1741 C C . ILE A 1 191 ? 59.967 16.533 48.134 1.00 25.70 ? 191 ILE A C 1 ATOM 1742 O O . ILE A 1 191 ? 60.916 15.946 47.596 1.00 27.51 ? 191 ILE A O 1 ATOM 1743 C CB . ILE A 1 191 ? 58.438 14.602 48.576 1.00 26.00 ? 191 ILE A CB 1 ATOM 1744 C CG1 . ILE A 1 191 ? 57.262 15.059 47.695 1.00 28.69 ? 191 ILE A CG1 1 ATOM 1745 C CG2 . ILE A 1 191 ? 57.946 13.669 49.670 1.00 26.10 ? 191 ILE A CG2 1 ATOM 1746 C CD1 . ILE A 1 191 ? 56.788 14.034 46.659 1.00 30.27 ? 191 ILE A CD1 1 ATOM 1747 H H . ILE A 1 191 ? 57.522 17.170 49.554 1.00 0.00 ? 191 ILE A H 1 ATOM 1748 N N . ASP A 1 192 ? 59.569 17.751 47.771 1.00 22.79 ? 192 ASP A N 1 ATOM 1749 C CA . ASP A 1 192 ? 60.288 18.547 46.779 1.00 21.22 ? 192 ASP A CA 1 ATOM 1750 C C . ASP A 1 192 ? 59.881 19.997 46.989 1.00 22.11 ? 192 ASP A C 1 ATOM 1751 O O . ASP A 1 192 ? 59.174 20.295 47.957 1.00 25.14 ? 192 ASP A O 1 ATOM 1752 C CB . ASP A 1 192 ? 59.997 18.078 45.341 1.00 20.35 ? 192 ASP A CB 1 ATOM 1753 C CG . ASP A 1 192 ? 58.513 18.027 45.005 1.00 19.66 ? 192 ASP A CG 1 ATOM 1754 O OD1 . ASP A 1 192 ? 57.746 18.936 45.363 1.00 21.28 ? 192 ASP A OD1 1 ATOM 1755 O OD2 . ASP A 1 192 ? 58.101 17.060 44.346 1.00 23.64 ? 192 ASP A OD2 1 ATOM 1756 H H . ASP A 1 192 ? 58.768 18.124 48.191 1.00 0.00 ? 192 ASP A H 1 ATOM 1757 N N . HIS A 1 193 ? 60.296 20.898 46.101 1.00 19.95 ? 193 HIS A N 1 ATOM 1758 C CA . HIS A 1 193 ? 59.926 22.293 46.281 1.00 18.38 ? 193 HIS A CA 1 ATOM 1759 C C . HIS A 1 193 ? 58.722 22.733 45.487 1.00 16.99 ? 193 HIS A C 1 ATOM 1760 O O . HIS A 1 193 ? 58.440 23.919 45.411 1.00 20.73 ? 193 HIS A O 1 ATOM 1761 C CB . HIS A 1 193 ? 61.118 23.224 46.004 1.00 18.66 ? 193 HIS A CB 1 ATOM 1762 C CG . HIS A 1 193 ? 61.630 23.178 44.596 1.00 23.02 ? 193 HIS A CG 1 ATOM 1763 N ND1 . HIS A 1 193 ? 62.925 23.518 44.271 1.00 25.67 ? 193 HIS A ND1 1 ATOM 1764 C CD2 . HIS A 1 193 ? 61.008 22.913 43.418 1.00 25.04 ? 193 HIS A CD2 1 ATOM 1765 C CE1 . HIS A 1 193 ? 63.078 23.475 42.958 1.00 27.22 ? 193 HIS A CE1 1 ATOM 1766 N NE2 . HIS A 1 193 ? 61.928 23.110 42.418 1.00 25.37 ? 193 HIS A NE2 1 ATOM 1767 H H . HIS A 1 193 ? 60.841 20.626 45.333 1.00 0.00 ? 193 HIS A H 1 ATOM 1768 H HD1 . HIS A 1 193 ? 63.636 23.725 44.906 1.00 0.00 ? 193 HIS A HD1 1 ATOM 1769 H HE2 . HIS A 1 193 ? 61.762 23.006 41.458 1.00 0.00 ? 193 HIS A HE2 1 ATOM 1770 N N . THR A 1 194 ? 57.951 21.785 44.978 1.00 16.66 ? 194 THR A N 1 ATOM 1771 C CA . THR A 1 194 ? 56.791 22.114 44.147 1.00 16.11 ? 194 THR A CA 1 ATOM 1772 C C . THR A 1 194 ? 55.432 21.669 44.709 1.00 15.93 ? 194 THR A C 1 ATOM 1773 O O . THR A 1 194 ? 54.461 22.431 44.714 1.00 17.96 ? 194 THR A O 1 ATOM 1774 C CB . THR A 1 194 ? 56.965 21.480 42.672 1.00 17.06 ? 194 THR A CB 1 ATOM 1775 O OG1 . THR A 1 194 ? 58.114 22.042 42.020 1.00 17.68 ? 194 THR A OG1 1 ATOM 1776 C CG2 . THR A 1 194 ? 55.722 21.704 41.786 1.00 15.31 ? 194 THR A CG2 1 ATOM 1777 H H . THR A 1 194 ? 58.175 20.856 45.156 1.00 0.00 ? 194 THR A H 1 ATOM 1778 H HG1 . THR A 1 194 ? 58.018 22.992 41.954 1.00 0.00 ? 194 THR A HG1 1 ATOM 1779 N N . HIS A 1 195 ? 55.350 20.409 45.102 1.00 16.57 ? 195 HIS A N 1 ATOM 1780 C CA . HIS A 1 195 ? 54.105 19.837 45.582 1.00 17.99 ? 195 HIS A CA 1 ATOM 1781 C C . HIS A 1 195 ? 53.787 20.104 47.023 1.00 19.11 ? 195 HIS A C 1 ATOM 1782 O O . HIS A 1 195 ? 54.594 19.861 47.908 1.00 21.21 ? 195 HIS A O 1 ATOM 1783 C CB . HIS A 1 195 ? 54.090 18.355 45.266 1.00 19.97 ? 195 HIS A CB 1 ATOM 1784 C CG . HIS A 1 195 ? 54.373 18.085 43.822 1.00 24.30 ? 195 HIS A CG 1 ATOM 1785 N ND1 . HIS A 1 195 ? 55.606 17.665 43.374 1.00 25.36 ? 195 HIS A ND1 1 ATOM 1786 C CD2 . HIS A 1 195 ? 53.619 18.288 42.714 1.00 23.87 ? 195 HIS A CD2 1 ATOM 1787 C CE1 . HIS A 1 195 ? 55.605 17.623 42.054 1.00 24.07 ? 195 HIS A CE1 1 ATOM 1788 N NE2 . HIS A 1 195 ? 54.411 17.997 41.629 1.00 24.59 ? 195 HIS A NE2 1 ATOM 1789 H H . HIS A 1 195 ? 56.134 19.856 45.057 1.00 0.00 ? 195 HIS A H 1 ATOM 1790 H HD1 . HIS A 1 195 ? 56.309 17.427 43.980 1.00 0.00 ? 195 HIS A HD1 1 ATOM 1791 H HE2 . HIS A 1 195 ? 54.140 18.051 40.692 1.00 0.00 ? 195 HIS A HE2 1 ATOM 1792 N N . THR A 1 196 ? 52.582 20.605 47.234 1.00 18.82 ? 196 THR A N 1 ATOM 1793 C CA . THR A 1 196 ? 52.104 20.963 48.555 1.00 17.03 ? 196 THR A CA 1 ATOM 1794 C C . THR A 1 196 ? 51.363 19.828 49.283 1.00 19.01 ? 196 THR A C 1 ATOM 1795 O O . THR A 1 196 ? 50.644 19.017 48.666 1.00 16.68 ? 196 THR A O 1 ATOM 1796 C CB . THR A 1 196 ? 51.122 22.173 48.448 1.00 14.12 ? 196 THR A CB 1 ATOM 1797 O OG1 . THR A 1 196 ? 50.087 21.867 47.493 1.00 13.04 ? 196 THR A OG1 1 ATOM 1798 C CG2 . THR A 1 196 ? 51.853 23.459 48.038 1.00 11.16 ? 196 THR A CG2 1 ATOM 1799 H H . THR A 1 196 ? 51.988 20.742 46.467 1.00 0.00 ? 196 THR A H 1 ATOM 1800 H HG1 . THR A 1 196 ? 49.585 21.106 47.792 1.00 0.00 ? 196 THR A HG1 1 ATOM 1801 N N . SER A 1 197 ? 51.520 19.811 50.610 1.00 19.60 ? 197 SER A N 1 ATOM 1802 C CA . SER A 1 197 ? 50.816 18.877 51.488 1.00 17.10 ? 197 SER A CA 1 ATOM 1803 C C . SER A 1 197 ? 49.361 19.406 51.550 1.00 17.95 ? 197 SER A C 1 ATOM 1804 O O . SER A 1 197 ? 49.071 20.491 51.036 1.00 15.66 ? 197 SER A O 1 ATOM 1805 C CB . SER A 1 197 ? 51.422 18.972 52.884 1.00 16.82 ? 197 SER A CB 1 ATOM 1806 O OG . SER A 1 197 ? 51.245 20.286 53.391 1.00 17.01 ? 197 SER A OG 1 ATOM 1807 H H . SER A 1 197 ? 52.121 20.458 51.021 1.00 0.00 ? 197 SER A H 1 ATOM 1808 H HG . SER A 1 197 ? 51.664 20.916 52.800 1.00 0.00 ? 197 SER A HG 1 ATOM 1809 N N . PRO A 1 198 ? 48.419 18.638 52.135 1.00 17.74 ? 198 PRO A N 1 ATOM 1810 C CA . PRO A 1 198 ? 47.033 19.131 52.209 1.00 16.88 ? 198 PRO A CA 1 ATOM 1811 C C . PRO A 1 198 ? 46.896 20.509 52.849 1.00 18.11 ? 198 PRO A C 1 ATOM 1812 O O . PRO A 1 198 ? 46.074 21.314 52.418 1.00 18.84 ? 198 PRO A O 1 ATOM 1813 C CB . PRO A 1 198 ? 46.331 18.052 53.034 1.00 17.12 ? 198 PRO A CB 1 ATOM 1814 C CG . PRO A 1 198 ? 47.001 16.805 52.535 1.00 15.53 ? 198 PRO A CG 1 ATOM 1815 C CD . PRO A 1 198 ? 48.481 17.207 52.507 1.00 18.76 ? 198 PRO A CD 1 ATOM 1816 N N . ALA A 1 199 ? 47.705 20.796 53.865 1.00 17.14 ? 199 ALA A N 1 ATOM 1817 C CA . ALA A 1 199 ? 47.646 22.099 54.529 1.00 18.62 ? 199 ALA A CA 1 ATOM 1818 C C . ALA A 1 199 ? 48.099 23.216 53.574 1.00 16.79 ? 199 ALA A C 1 ATOM 1819 O O . ALA A 1 199 ? 47.475 24.288 53.540 1.00 16.66 ? 199 ALA A O 1 ATOM 1820 C CB . ALA A 1 199 ? 48.508 22.100 55.809 1.00 16.98 ? 199 ALA A CB 1 ATOM 1821 H H . ALA A 1 199 ? 48.362 20.134 54.157 1.00 0.00 ? 199 ALA A H 1 ATOM 1822 N N . GLY A 1 200 ? 49.185 22.960 52.831 1.00 14.71 ? 200 GLY A N 1 ATOM 1823 C CA . GLY A 1 200 ? 49.708 23.916 51.865 1.00 12.87 ? 200 GLY A CA 1 ATOM 1824 C C . GLY A 1 200 ? 48.740 24.129 50.700 1.00 14.92 ? 200 GLY A C 1 ATOM 1825 O O . GLY A 1 200 ? 48.615 25.244 50.205 1.00 15.83 ? 200 GLY A O 1 ATOM 1826 H H . GLY A 1 200 ? 49.640 22.099 52.942 1.00 0.00 ? 200 GLY A H 1 ATOM 1827 N N . ALA A 1 201 ? 48.030 23.077 50.283 1.00 12.70 ? 201 ALA A N 1 ATOM 1828 C CA . ALA A 1 201 ? 47.057 23.185 49.203 1.00 13.25 ? 201 ALA A CA 1 ATOM 1829 C C . ALA A 1 201 ? 45.895 24.088 49.630 1.00 16.26 ? 201 ALA A C 1 ATOM 1830 O O . ALA A 1 201 ? 45.341 24.847 48.814 1.00 12.49 ? 201 ALA A O 1 ATOM 1831 C CB . ALA A 1 201 ? 46.542 21.784 48.781 1.00 9.82 ? 201 ALA A CB 1 ATOM 1832 H H . ALA A 1 201 ? 48.155 22.217 50.729 1.00 0.00 ? 201 ALA A H 1 ATOM 1833 N N . GLU A 1 202 ? 45.472 23.948 50.890 1.00 16.49 ? 202 GLU A N 1 ATOM 1834 C CA . GLU A 1 202 ? 44.394 24.769 51.456 1.00 15.92 ? 202 GLU A CA 1 ATOM 1835 C C . GLU A 1 202 ? 44.804 26.254 51.451 1.00 14.87 ? 202 GLU A C 1 ATOM 1836 O O . GLU A 1 202 ? 44.000 27.126 51.106 1.00 15.43 ? 202 GLU A O 1 ATOM 1837 C CB . GLU A 1 202 ? 44.089 24.318 52.894 1.00 16.87 ? 202 GLU A CB 1 ATOM 1838 C CG . GLU A 1 202 ? 43.175 25.254 53.676 1.00 15.40 ? 202 GLU A CG 1 ATOM 1839 C CD . GLU A 1 202 ? 41.763 25.344 53.113 1.00 20.34 ? 202 GLU A CD 1 ATOM 1840 O OE1 . GLU A 1 202 ? 41.210 24.311 52.664 1.00 20.98 ? 202 GLU A OE1 1 ATOM 1841 O OE2 . GLU A 1 202 ? 41.180 26.445 53.152 1.00 17.57 ? 202 GLU A OE2 1 ATOM 1842 H H . GLU A 1 202 ? 45.897 23.276 51.462 1.00 0.00 ? 202 GLU A H 1 ATOM 1843 N N . VAL A 1 203 ? 46.034 26.531 51.880 1.00 14.21 ? 203 VAL A N 1 ATOM 1844 C CA . VAL A 1 203 ? 46.569 27.889 51.904 1.00 14.61 ? 203 VAL A CA 1 ATOM 1845 C C . VAL A 1 203 ? 46.583 28.445 50.475 1.00 15.65 ? 203 VAL A C 1 ATOM 1846 O O . VAL A 1 203 ? 46.175 29.580 50.242 1.00 15.08 ? 203 VAL A O 1 ATOM 1847 C CB . VAL A 1 203 ? 48.003 27.909 52.502 1.00 13.87 ? 203 VAL A CB 1 ATOM 1848 C CG1 . VAL A 1 203 ? 48.673 29.300 52.322 1.00 12.66 ? 203 VAL A CG1 1 ATOM 1849 C CG2 . VAL A 1 203 ? 47.942 27.531 53.980 1.00 14.80 ? 203 VAL A CG2 1 ATOM 1850 H H . VAL A 1 203 ? 46.603 25.796 52.189 1.00 0.00 ? 203 VAL A H 1 ATOM 1851 N N . VAL A 1 204 ? 47.042 27.633 49.522 1.00 14.76 ? 204 VAL A N 1 ATOM 1852 C CA . VAL A 1 204 ? 47.101 28.040 48.111 1.00 13.80 ? 204 VAL A CA 1 ATOM 1853 C C . VAL A 1 204 ? 45.710 28.357 47.568 1.00 12.22 ? 204 VAL A C 1 ATOM 1854 O O . VAL A 1 204 ? 45.541 29.343 46.882 1.00 13.38 ? 204 VAL A O 1 ATOM 1855 C CB . VAL A 1 204 ? 47.833 26.949 47.240 1.00 11.41 ? 204 VAL A CB 1 ATOM 1856 C CG1 . VAL A 1 204 ? 47.705 27.242 45.736 1.00 11.87 ? 204 VAL A CG1 1 ATOM 1857 C CG2 . VAL A 1 204 ? 49.290 26.924 47.625 1.00 10.47 ? 204 VAL A CG2 1 ATOM 1858 H H . VAL A 1 204 ? 47.336 26.736 49.774 1.00 0.00 ? 204 VAL A H 1 ATOM 1859 N N . ALA A 1 205 ? 44.721 27.531 47.907 1.00 13.44 ? 205 ALA A N 1 ATOM 1860 C CA . ALA A 1 205 ? 43.332 27.710 47.467 1.00 12.49 ? 205 ALA A CA 1 ATOM 1861 C C . ALA A 1 205 ? 42.739 28.991 48.054 1.00 16.68 ? 205 ALA A C 1 ATOM 1862 O O . ALA A 1 205 ? 42.037 29.738 47.351 1.00 14.18 ? 205 ALA A O 1 ATOM 1863 C CB . ALA A 1 205 ? 42.474 26.502 47.862 1.00 9.70 ? 205 ALA A CB 1 ATOM 1864 H H . ALA A 1 205 ? 44.939 26.781 48.494 1.00 0.00 ? 205 ALA A H 1 ATOM 1865 N N . GLU A 1 206 ? 42.983 29.227 49.349 1.00 15.57 ? 206 GLU A N 1 ATOM 1866 C CA . GLU A 1 206 ? 42.503 30.449 50.006 1.00 15.93 ? 206 GLU A CA 1 ATOM 1867 C C . GLU A 1 206 ? 43.138 31.689 49.346 1.00 13.27 ? 206 GLU A C 1 ATOM 1868 O O . GLU A 1 206 ? 42.476 32.706 49.203 1.00 13.61 ? 206 GLU A O 1 ATOM 1869 C CB . GLU A 1 206 ? 42.866 30.449 51.497 1.00 17.05 ? 206 GLU A CB 1 ATOM 1870 C CG . GLU A 1 206 ? 42.144 29.390 52.327 1.00 18.01 ? 206 GLU A CG 1 ATOM 1871 C CD . GLU A 1 206 ? 42.798 29.180 53.677 1.00 20.55 ? 206 GLU A CD 1 ATOM 1872 O OE1 . GLU A 1 206 ? 43.703 29.965 54.024 1.00 21.95 ? 206 GLU A OE1 1 ATOM 1873 O OE2 . GLU A 1 206 ? 42.430 28.218 54.389 1.00 21.25 ? 206 GLU A OE2 1 ATOM 1874 H H . GLU A 1 206 ? 43.504 28.576 49.855 1.00 0.00 ? 206 GLU A H 1 ATOM 1875 N N . ALA A 1 207 ? 44.414 31.593 48.951 1.00 11.89 ? 207 ALA A N 1 ATOM 1876 C CA . ALA A 1 207 ? 45.108 32.720 48.316 1.00 11.77 ? 207 ALA A CA 1 ATOM 1877 C C . ALA A 1 207 ? 44.491 33.037 46.947 1.00 14.27 ? 207 ALA A C 1 ATOM 1878 O O . ALA A 1 207 ? 44.420 34.195 46.552 1.00 15.14 ? 207 ALA A O 1 ATOM 1879 C CB . ALA A 1 207 ? 46.593 32.440 48.192 1.00 9.96 ? 207 ALA A CB 1 ATOM 1880 H H . ALA A 1 207 ? 44.886 30.745 49.081 1.00 0.00 ? 207 ALA A H 1 ATOM 1881 N N . PHE A 1 208 ? 44.021 32.010 46.238 1.00 14.40 ? 208 PHE A N 1 ATOM 1882 C CA . PHE A 1 208 ? 43.368 32.221 44.949 1.00 13.75 ? 208 PHE A CA 1 ATOM 1883 C C . PHE A 1 208 ? 42.098 33.015 45.213 1.00 14.87 ? 208 PHE A C 1 ATOM 1884 O O . PHE A 1 208 ? 41.820 34.023 44.550 1.00 14.92 ? 208 PHE A O 1 ATOM 1885 C CB . PHE A 1 208 ? 42.991 30.879 44.298 1.00 13.88 ? 208 PHE A CB 1 ATOM 1886 C CG . PHE A 1 208 ? 42.272 31.025 42.980 1.00 14.56 ? 208 PHE A CG 1 ATOM 1887 C CD1 . PHE A 1 208 ? 42.980 31.318 41.814 1.00 12.04 ? 208 PHE A CD1 1 ATOM 1888 C CD2 . PHE A 1 208 ? 40.889 30.910 42.915 1.00 11.92 ? 208 PHE A CD2 1 ATOM 1889 C CE1 . PHE A 1 208 ? 42.324 31.495 40.611 1.00 13.56 ? 208 PHE A CE1 1 ATOM 1890 C CE2 . PHE A 1 208 ? 40.218 31.087 41.701 1.00 14.65 ? 208 PHE A CE2 1 ATOM 1891 C CZ . PHE A 1 208 ? 40.941 31.381 40.554 1.00 9.81 ? 208 PHE A CZ 1 ATOM 1892 H H . PHE A 1 208 ? 44.112 31.100 46.589 1.00 0.00 ? 208 PHE A H 1 ATOM 1893 N N . LEU A 1 209 ? 41.325 32.562 46.199 1.00 13.72 ? 209 LEU A N 1 ATOM 1894 C CA . LEU A 1 209 ? 40.077 33.229 46.553 1.00 12.81 ? 209 LEU A CA 1 ATOM 1895 C C . LEU A 1 209 ? 40.288 34.661 47.079 1.00 11.84 ? 209 LEU A C 1 ATOM 1896 O O . LEU A 1 209 ? 39.474 35.547 46.808 1.00 12.26 ? 209 LEU A O 1 ATOM 1897 C CB . LEU A 1 209 ? 39.266 32.360 47.518 1.00 14.22 ? 209 LEU A CB 1 ATOM 1898 C CG . LEU A 1 209 ? 38.896 31.024 46.843 1.00 18.27 ? 209 LEU A CG 1 ATOM 1899 C CD1 . LEU A 1 209 ? 38.244 30.061 47.846 1.00 16.34 ? 209 LEU A CD1 1 ATOM 1900 C CD2 . LEU A 1 209 ? 37.988 31.271 45.625 1.00 15.02 ? 209 LEU A CD2 1 ATOM 1901 H H . LEU A 1 209 ? 41.606 31.770 46.703 1.00 0.00 ? 209 LEU A H 1 ATOM 1902 N N . LYS A 1 210 ? 41.391 34.884 47.796 1.00 12.35 ? 210 LYS A N 1 ATOM 1903 C CA . LYS A 1 210 ? 41.739 36.217 48.292 1.00 15.01 ? 210 LYS A CA 1 ATOM 1904 C C . LYS A 1 210 ? 41.947 37.128 47.069 1.00 15.54 ? 210 LYS A C 1 ATOM 1905 O O . LYS A 1 210 ? 41.445 38.248 47.050 1.00 14.39 ? 210 LYS A O 1 ATOM 1906 C CB . LYS A 1 210 ? 43.021 36.165 49.140 1.00 16.69 ? 210 LYS A CB 1 ATOM 1907 C CG . LYS A 1 210 ? 43.380 37.477 49.860 1.00 18.91 ? 210 LYS A CG 1 ATOM 1908 C CD . LYS A 1 210 ? 42.372 37.831 50.971 1.00 20.95 ? 210 LYS A CD 1 ATOM 1909 C CE . LYS A 1 210 ? 42.792 39.103 51.715 1.00 19.81 ? 210 LYS A CE 1 ATOM 1910 N NZ . LYS A 1 210 ? 41.879 39.426 52.854 1.00 17.69 ? 210 LYS A NZ 1 ATOM 1911 H H . LYS A 1 210 ? 41.985 34.129 47.969 1.00 0.00 ? 210 LYS A H 1 ATOM 1912 H HZ1 . LYS A 1 210 ? 42.267 40.200 53.418 1.00 0.00 ? 210 LYS A HZ1 1 ATOM 1913 H HZ2 . LYS A 1 210 ? 41.805 38.591 53.465 1.00 0.00 ? 210 LYS A HZ2 1 ATOM 1914 H HZ3 . LYS A 1 210 ? 40.937 39.681 52.499 1.00 0.00 ? 210 LYS A HZ3 1 ATOM 1915 N N . ALA A 1 211 ? 42.684 36.627 46.064 1.00 15.03 ? 211 ALA A N 1 ATOM 1916 C CA . ALA A 1 211 ? 42.948 37.327 44.792 1.00 14.65 ? 211 ALA A CA 1 ATOM 1917 C C . ALA A 1 211 ? 41.628 37.664 44.078 1.00 16.19 ? 211 ALA A C 1 ATOM 1918 O O . ALA A 1 211 ? 41.449 38.773 43.584 1.00 16.24 ? 211 ALA A O 1 ATOM 1919 C CB . ALA A 1 211 ? 43.826 36.456 43.880 1.00 14.93 ? 211 ALA A CB 1 ATOM 1920 H H . ALA A 1 211 ? 43.069 35.735 46.178 1.00 0.00 ? 211 ALA A H 1 ATOM 1921 N N . VAL A 1 212 ? 40.691 36.717 44.062 1.00 16.58 ? 212 VAL A N 1 ATOM 1922 C CA . VAL A 1 212 ? 39.386 36.923 43.429 1.00 16.65 ? 212 VAL A CA 1 ATOM 1923 C C . VAL A 1 212 ? 38.577 38.081 44.045 1.00 18.51 ? 212 VAL A C 1 ATOM 1924 O O . VAL A 1 212 ? 38.046 38.946 43.318 1.00 17.77 ? 212 VAL A O 1 ATOM 1925 C CB . VAL A 1 212 ? 38.549 35.604 43.466 1.00 15.67 ? 212 VAL A CB 1 ATOM 1926 C CG1 . VAL A 1 212 ? 37.085 35.878 43.168 1.00 12.64 ? 212 VAL A CG1 1 ATOM 1927 C CG2 . VAL A 1 212 ? 39.120 34.602 42.459 1.00 15.74 ? 212 VAL A CG2 1 ATOM 1928 H H . VAL A 1 212 ? 40.875 35.860 44.494 1.00 0.00 ? 212 VAL A H 1 ATOM 1929 N N . VAL A 1 213 ? 38.479 38.095 45.378 1.00 18.21 ? 213 VAL A N 1 ATOM 1930 C CA . VAL A 1 213 ? 37.729 39.134 46.098 1.00 19.36 ? 213 VAL A CA 1 ATOM 1931 C C . VAL A 1 213 ? 38.413 40.498 45.940 1.00 18.83 ? 213 VAL A C 1 ATOM 1932 O O . VAL A 1 213 ? 37.752 41.512 45.662 1.00 21.67 ? 213 VAL A O 1 ATOM 1933 C CB . VAL A 1 213 ? 37.598 38.796 47.614 1.00 21.21 ? 213 VAL A CB 1 ATOM 1934 C CG1 . VAL A 1 213 ? 36.769 39.852 48.352 1.00 22.45 ? 213 VAL A CG1 1 ATOM 1935 C CG2 . VAL A 1 213 ? 36.949 37.446 47.776 1.00 26.41 ? 213 VAL A CG2 1 ATOM 1936 H H . VAL A 1 213 ? 38.930 37.394 45.893 1.00 0.00 ? 213 VAL A H 1 ATOM 1937 N N . CYS A 1 214 ? 39.734 40.513 46.084 1.00 16.71 ? 214 CYS A N 1 ATOM 1938 C CA . CYS A 1 214 ? 40.492 41.753 45.974 1.00 18.51 ? 214 CYS A CA 1 ATOM 1939 C C . CYS A 1 214 ? 40.428 42.396 44.602 1.00 20.23 ? 214 CYS A C 1 ATOM 1940 O O . CYS A 1 214 ? 40.320 43.617 44.504 1.00 20.29 ? 214 CYS A O 1 ATOM 1941 C CB . CYS A 1 214 ? 41.952 41.530 46.349 1.00 19.89 ? 214 CYS A CB 1 ATOM 1942 S SG . CYS A 1 214 ? 42.242 41.223 48.119 1.00 17.34 ? 214 CYS A SG 1 ATOM 1943 H H . CYS A 1 214 ? 40.194 39.669 46.262 1.00 0.00 ? 214 CYS A H 1 ATOM 1944 N N . THR A 1 215 ? 40.487 41.579 43.547 1.00 20.51 ? 215 THR A N 1 ATOM 1945 C CA . THR A 1 215 ? 40.468 42.089 42.175 1.00 20.36 ? 215 THR A CA 1 ATOM 1946 C C . THR A 1 215 ? 39.053 42.271 41.562 1.00 21.02 ? 215 THR A C 1 ATOM 1947 O O . THR A 1 215 ? 38.875 43.005 40.590 1.00 21.86 ? 215 THR A O 1 ATOM 1948 C CB . THR A 1 215 ? 41.397 41.238 41.255 1.00 21.47 ? 215 THR A CB 1 ATOM 1949 O OG1 . THR A 1 215 ? 40.781 39.987 40.964 1.00 29.79 ? 215 THR A OG1 1 ATOM 1950 C CG2 . THR A 1 215 ? 42.702 40.929 41.945 1.00 22.93 ? 215 THR A CG2 1 ATOM 1951 H H . THR A 1 215 ? 40.537 40.612 43.696 1.00 0.00 ? 215 THR A H 1 ATOM 1952 H HG1 . THR A 1 215 ? 40.577 39.521 41.777 1.00 0.00 ? 215 THR A HG1 1 ATOM 1953 N N . GLY A 1 216 ? 38.044 41.653 42.168 1.00 19.40 ? 216 GLY A N 1 ATOM 1954 C CA . GLY A 1 216 ? 36.691 41.776 41.662 1.00 18.55 ? 216 GLY A CA 1 ATOM 1955 C C . GLY A 1 216 ? 36.344 40.824 40.533 1.00 19.24 ? 216 GLY A C 1 ATOM 1956 O O . GLY A 1 216 ? 35.407 41.078 39.778 1.00 18.53 ? 216 GLY A O 1 ATOM 1957 H H . GLY A 1 216 ? 38.206 41.111 42.967 1.00 0.00 ? 216 GLY A H 1 ATOM 1958 N N . THR A 1 217 ? 37.087 39.724 40.429 1.00 17.70 ? 217 THR A N 1 ATOM 1959 C CA . THR A 1 217 ? 36.872 38.708 39.395 1.00 17.96 ? 217 THR A CA 1 ATOM 1960 C C . THR A 1 217 ? 35.429 38.222 39.439 1.00 18.05 ? 217 THR A C 1 ATOM 1961 O O . THR A 1 217 ? 34.853 38.114 40.520 1.00 18.29 ? 217 THR A O 1 ATOM 1962 C CB . THR A 1 217 ? 37.834 37.507 39.613 1.00 17.59 ? 217 THR A CB 1 ATOM 1963 O OG1 . THR A 1 217 ? 39.140 38.014 39.896 1.00 20.29 ? 217 THR A OG1 1 ATOM 1964 C CG2 . THR A 1 217 ? 37.906 36.612 38.355 1.00 18.06 ? 217 THR A CG2 1 ATOM 1965 H H . THR A 1 217 ? 37.811 39.587 41.075 1.00 0.00 ? 217 THR A H 1 ATOM 1966 H HG1 . THR A 1 217 ? 39.110 38.539 40.699 1.00 0.00 ? 217 THR A HG1 1 ATOM 1967 N N . SER A 1 218 ? 34.852 37.931 38.267 1.00 16.78 ? 218 SER A N 1 ATOM 1968 C CA . SER A 1 218 ? 33.459 37.471 38.143 1.00 15.60 ? 218 SER A CA 1 ATOM 1969 C C . SER A 1 218 ? 33.086 36.302 39.039 1.00 14.24 ? 218 SER A C 1 ATOM 1970 O O . SER A 1 218 ? 31.925 36.159 39.407 1.00 15.95 ? 218 SER A O 1 ATOM 1971 C CB . SER A 1 218 ? 33.135 37.068 36.682 1.00 15.45 ? 218 SER A CB 1 ATOM 1972 O OG . SER A 1 218 ? 33.992 36.019 36.245 1.00 15.15 ? 218 SER A OG 1 ATOM 1973 H H . SER A 1 218 ? 35.387 37.993 37.461 1.00 0.00 ? 218 SER A H 1 ATOM 1974 H HG . SER A 1 218 ? 33.755 35.772 35.348 1.00 0.00 ? 218 SER A HG 1 ATOM 1975 N N . LEU A 1 219 ? 34.054 35.438 39.339 1.00 13.99 ? 219 LEU A N 1 ATOM 1976 C CA . LEU A 1 219 ? 33.823 34.266 40.193 1.00 15.23 ? 219 LEU A CA 1 ATOM 1977 C C . LEU A 1 219 ? 33.267 34.671 41.583 1.00 17.87 ? 219 LEU A C 1 ATOM 1978 O O . LEU A 1 219 ? 32.647 33.863 42.272 1.00 16.99 ? 219 LEU A O 1 ATOM 1979 C CB . LEU A 1 219 ? 35.137 33.496 40.331 1.00 15.33 ? 219 LEU A CB 1 ATOM 1980 C CG . LEU A 1 219 ? 35.133 32.069 40.864 1.00 15.29 ? 219 LEU A CG 1 ATOM 1981 C CD1 . LEU A 1 219 ? 34.324 31.168 39.971 1.00 18.42 ? 219 LEU A CD1 1 ATOM 1982 C CD2 . LEU A 1 219 ? 36.553 31.586 40.910 1.00 17.59 ? 219 LEU A CD2 1 ATOM 1983 H H . LEU A 1 219 ? 34.950 35.595 38.973 1.00 0.00 ? 219 LEU A H 1 ATOM 1984 N N . LYS A 1 220 ? 33.500 35.934 41.966 1.00 19.37 ? 220 LYS A N 1 ATOM 1985 C CA . LYS A 1 220 ? 33.026 36.517 43.225 1.00 21.85 ? 220 LYS A CA 1 ATOM 1986 C C . LYS A 1 220 ? 31.567 36.176 43.454 1.00 21.48 ? 220 LYS A C 1 ATOM 1987 O O . LYS A 1 220 ? 31.152 35.949 44.582 1.00 21.62 ? 220 LYS A O 1 ATOM 1988 C CB . LYS A 1 220 ? 33.153 38.047 43.169 1.00 24.82 ? 220 LYS A CB 1 ATOM 1989 C CG . LYS A 1 220 ? 33.362 38.739 44.521 1.00 38.11 ? 220 LYS A CG 1 ATOM 1990 C CD . LYS A 1 220 ? 32.110 38.732 45.445 1.00 44.75 ? 220 LYS A CD 1 ATOM 1991 C CE . LYS A 1 220 ? 32.359 39.446 46.793 1.00 47.18 ? 220 LYS A CE 1 ATOM 1992 N NZ . LYS A 1 220 ? 32.808 40.887 46.648 1.00 47.43 ? 220 LYS A NZ 1 ATOM 1993 H H . LYS A 1 220 ? 34.027 36.502 41.372 1.00 0.00 ? 220 LYS A H 1 ATOM 1994 H HZ1 . LYS A 1 220 ? 32.079 41.431 46.143 1.00 0.00 ? 220 LYS A HZ1 1 ATOM 1995 H HZ2 . LYS A 1 220 ? 33.695 40.915 46.109 1.00 0.00 ? 220 LYS A HZ2 1 ATOM 1996 H HZ3 . LYS A 1 220 ? 32.960 41.297 47.591 1.00 0.00 ? 220 LYS A HZ3 1 ATOM 1997 N N . SER A 1 221 ? 30.783 36.129 42.383 1.00 22.31 ? 221 SER A N 1 ATOM 1998 C CA . SER A 1 221 ? 29.362 35.851 42.512 1.00 22.19 ? 221 SER A CA 1 ATOM 1999 C C . SER A 1 221 ? 28.941 34.457 43.006 1.00 20.92 ? 221 SER A C 1 ATOM 2000 O O . SER A 1 221 ? 27.783 34.266 43.348 1.00 22.25 ? 221 SER A O 1 ATOM 2001 C CB . SER A 1 221 ? 28.650 36.171 41.223 1.00 23.62 ? 221 SER A CB 1 ATOM 2002 O OG . SER A 1 221 ? 29.095 35.276 40.236 1.00 30.61 ? 221 SER A OG 1 ATOM 2003 H H . SER A 1 221 ? 31.168 36.285 41.496 1.00 0.00 ? 221 SER A H 1 ATOM 2004 H HG . SER A 1 221 ? 28.653 35.465 39.405 1.00 0.00 ? 221 SER A HG 1 ATOM 2005 N N . VAL A 1 222 ? 29.824 33.465 42.977 1.00 17.88 ? 222 VAL A N 1 ATOM 2006 C CA . VAL A 1 222 ? 29.446 32.158 43.513 1.00 17.81 ? 222 VAL A CA 1 ATOM 2007 C C . VAL A 1 222 ? 30.314 31.810 44.732 1.00 19.22 ? 222 VAL A C 1 ATOM 2008 O O . VAL A 1 222 ? 30.358 30.671 45.158 1.00 20.77 ? 222 VAL A O 1 ATOM 2009 C CB . VAL A 1 222 ? 29.503 31.006 42.472 1.00 19.19 ? 222 VAL A CB 1 ATOM 2010 C CG1 . VAL A 1 222 ? 28.464 31.217 41.378 1.00 20.13 ? 222 VAL A CG1 1 ATOM 2011 C CG2 . VAL A 1 222 ? 30.895 30.850 41.897 1.00 17.13 ? 222 VAL A CG2 1 ATOM 2012 H H . VAL A 1 222 ? 30.710 33.612 42.595 1.00 0.00 ? 222 VAL A H 1 ATOM 2013 N N . LEU A 1 223 ? 30.988 32.816 45.283 1.00 19.35 ? 223 LEU A N 1 ATOM 2014 C CA . LEU A 1 223 ? 31.858 32.679 46.454 1.00 19.33 ? 223 LEU A CA 1 ATOM 2015 C C . LEU A 1 223 ? 30.964 32.754 47.697 1.00 20.86 ? 223 LEU A C 1 ATOM 2016 O O . LEU A 1 223 ? 30.148 33.681 47.817 1.00 20.18 ? 223 LEU A O 1 ATOM 2017 C CB . LEU A 1 223 ? 32.880 33.816 46.439 1.00 20.37 ? 223 LEU A CB 1 ATOM 2018 C CG . LEU A 1 223 ? 34.050 33.823 47.404 1.00 23.42 ? 223 LEU A CG 1 ATOM 2019 C CD1 . LEU A 1 223 ? 34.670 32.436 47.527 1.00 23.70 ? 223 LEU A CD1 1 ATOM 2020 C CD2 . LEU A 1 223 ? 35.066 34.821 46.923 1.00 19.38 ? 223 LEU A CD2 1 ATOM 2021 H H . LEU A 1 223 ? 30.895 33.705 44.883 1.00 0.00 ? 223 LEU A H 1 ATOM 2022 N N . THR A 1 224 ? 31.093 31.765 48.588 1.00 19.00 ? 224 THR A N 1 ATOM 2023 C CA . THR A 1 224 ? 30.256 31.670 49.798 1.00 19.90 ? 224 THR A CA 1 ATOM 2024 C C . THR A 1 224 ? 30.727 32.505 50.989 1.00 19.52 ? 224 THR A C 1 ATOM 2025 O O . THR A 1 224 ? 29.941 32.776 51.890 1.00 21.17 ? 224 THR A O 1 ATOM 2026 C CB . THR A 1 224 ? 30.143 30.206 50.295 1.00 19.63 ? 224 THR A CB 1 ATOM 2027 O OG1 . THR A 1 224 ? 31.423 29.759 50.771 1.00 18.44 ? 224 THR A OG1 1 ATOM 2028 C CG2 . THR A 1 224 ? 29.673 29.288 49.184 1.00 22.07 ? 224 THR A CG2 1 ATOM 2029 H H . THR A 1 224 ? 31.771 31.085 48.441 1.00 0.00 ? 224 THR A H 1 ATOM 2030 H HG1 . THR A 1 224 ? 32.075 29.854 50.072 1.00 0.00 ? 224 THR A HG1 1 ATOM 2031 N N . THR A 1 225 ? 31.999 32.903 50.970 1.00 19.17 ? 225 THR A N 1 ATOM 2032 C CA . THR A 1 225 ? 32.632 33.677 52.036 1.00 20.04 ? 225 THR A CA 1 ATOM 2033 C C . THR A 1 225 ? 33.845 34.473 51.504 1.00 19.48 ? 225 THR A C 1 ATOM 2034 O O . THR A 1 225 ? 34.462 34.103 50.501 1.00 19.66 ? 225 THR A O 1 ATOM 2035 C CB . THR A 1 225 ? 33.136 32.711 53.170 1.00 20.15 ? 225 THR A CB 1 ATOM 2036 O OG1 . THR A 1 225 ? 33.740 33.462 54.231 1.00 17.50 ? 225 THR A OG1 1 ATOM 2037 C CG2 . THR A 1 225 ? 34.203 31.738 52.617 1.00 18.02 ? 225 THR A CG2 1 ATOM 2038 H H . THR A 1 225 ? 32.540 32.661 50.190 1.00 0.00 ? 225 THR A H 1 ATOM 2039 H HG1 . THR A 1 225 ? 33.097 34.066 54.608 1.00 0.00 ? 225 THR A HG1 1 ATOM 2040 N N . THR A 1 226 ? 34.194 35.555 52.201 1.00 18.39 ? 226 THR A N 1 ATOM 2041 C CA . THR A 1 226 ? 35.334 36.395 51.828 1.00 17.93 ? 226 THR A CA 1 ATOM 2042 C C . THR A 1 226 ? 36.291 36.496 53.004 1.00 17.76 ? 226 THR A C 1 ATOM 2043 O O . THR A 1 226 ? 37.224 37.300 52.977 1.00 18.92 ? 226 THR A O 1 ATOM 2044 C CB . THR A 1 226 ? 34.885 37.816 51.469 1.00 19.06 ? 226 THR A CB 1 ATOM 2045 O OG1 . THR A 1 226 ? 34.216 38.378 52.598 1.00 19.77 ? 226 THR A OG1 1 ATOM 2046 C CG2 . THR A 1 226 ? 33.903 37.806 50.256 1.00 21.16 ? 226 THR A CG2 1 ATOM 2047 H H . THR A 1 226 ? 33.668 35.797 52.990 1.00 0.00 ? 226 THR A H 1 ATOM 2048 H HG1 . THR A 1 226 ? 33.457 37.835 52.823 1.00 0.00 ? 226 THR A HG1 1 ATOM 2049 N N . SER A 1 227 ? 36.094 35.637 54.007 1.00 16.18 ? 227 SER A N 1 ATOM 2050 C CA . SER A 1 227 ? 36.929 35.638 55.215 1.00 14.92 ? 227 SER A CA 1 ATOM 2051 C C . SER A 1 227 ? 38.237 34.868 55.011 1.00 17.10 ? 227 SER A C 1 ATOM 2052 O O . SER A 1 227 ? 38.303 33.666 55.248 1.00 16.41 ? 227 SER A O 1 ATOM 2053 C CB . SER A 1 227 ? 36.125 35.077 56.399 1.00 16.52 ? 227 SER A CB 1 ATOM 2054 O OG . SER A 1 227 ? 36.875 35.094 57.606 1.00 16.42 ? 227 SER A OG 1 ATOM 2055 H H . SER A 1 227 ? 35.368 34.983 53.936 1.00 0.00 ? 227 SER A H 1 ATOM 2056 H HG . SER A 1 227 ? 36.337 34.762 58.328 1.00 0.00 ? 227 SER A HG 1 ATOM 2057 N N . PHE A 1 228 ? 39.277 35.569 54.558 1.00 16.67 ? 228 PHE A N 1 ATOM 2058 C CA . PHE A 1 228 ? 40.581 34.955 54.300 1.00 17.10 ? 228 PHE A CA 1 ATOM 2059 C C . PHE A 1 228 ? 41.669 35.898 54.769 1.00 18.72 ? 228 PHE A C 1 ATOM 2060 O O . PHE A 1 228 ? 41.564 37.098 54.583 1.00 20.48 ? 228 PHE A O 1 ATOM 2061 C CB . PHE A 1 228 ? 40.774 34.708 52.789 1.00 16.70 ? 228 PHE A CB 1 ATOM 2062 C CG . PHE A 1 228 ? 39.725 33.815 52.177 1.00 15.27 ? 228 PHE A CG 1 ATOM 2063 C CD1 . PHE A 1 228 ? 38.701 34.351 51.416 1.00 12.82 ? 228 PHE A CD1 1 ATOM 2064 C CD2 . PHE A 1 228 ? 39.743 32.441 52.404 1.00 14.69 ? 228 PHE A CD2 1 ATOM 2065 C CE1 . PHE A 1 228 ? 37.709 33.535 50.896 1.00 14.34 ? 228 PHE A CE1 1 ATOM 2066 C CE2 . PHE A 1 228 ? 38.749 31.616 51.882 1.00 14.85 ? 228 PHE A CE2 1 ATOM 2067 C CZ . PHE A 1 228 ? 37.733 32.168 51.129 1.00 13.85 ? 228 PHE A CZ 1 ATOM 2068 H H . PHE A 1 228 ? 39.163 36.529 54.395 1.00 0.00 ? 228 PHE A H 1 ATOM 2069 N N . GLU A 1 229 ? 42.733 35.354 55.341 1.00 20.82 ? 229 GLU A N 1 ATOM 2070 C CA . GLU A 1 229 ? 43.842 36.172 55.813 1.00 22.03 ? 229 GLU A CA 1 ATOM 2071 C C . GLU A 1 229 ? 44.612 36.819 54.655 1.00 23.18 ? 229 GLU A C 1 ATOM 2072 O O . GLU A 1 229 ? 44.480 36.424 53.494 1.00 21.82 ? 229 GLU A O 1 ATOM 2073 C CB . GLU A 1 229 ? 44.799 35.344 56.692 1.00 24.09 ? 229 GLU A CB 1 ATOM 2074 C CG . GLU A 1 229 ? 44.936 33.881 56.282 1.00 33.31 ? 229 GLU A CG 1 ATOM 2075 C CD . GLU A 1 229 ? 46.309 33.273 56.604 1.00 40.18 ? 229 GLU A CD 1 ATOM 2076 O OE1 . GLU A 1 229 ? 46.459 32.038 56.426 1.00 42.00 ? 229 GLU A OE1 1 ATOM 2077 O OE2 . GLU A 1 229 ? 47.249 34.018 56.996 1.00 42.27 ? 229 GLU A OE2 1 ATOM 2078 H H . GLU A 1 229 ? 42.746 34.381 55.443 1.00 0.00 ? 229 GLU A H 1 ATOM 2079 N N . GLY A 1 230 ? 45.467 37.773 55.009 1.00 22.29 ? 230 GLY A N 1 ATOM 2080 C CA . GLY A 1 230 ? 46.262 38.493 54.038 1.00 20.03 ? 230 GLY A CA 1 ATOM 2081 C C . GLY A 1 230 ? 45.637 39.837 53.699 1.00 19.51 ? 230 GLY A C 1 ATOM 2082 O O . GLY A 1 230 ? 44.599 40.233 54.236 1.00 18.20 ? 230 GLY A O 1 ATOM 2083 H H . GLY A 1 230 ? 45.564 37.997 55.956 1.00 0.00 ? 230 GLY A H 1 ATOM 2084 N N . THR A 1 231 ? 46.249 40.503 52.733 1.00 19.30 ? 231 THR A N 1 ATOM 2085 C CA . THR A 1 231 ? 45.794 41.800 52.279 1.00 21.76 ? 231 THR A CA 1 ATOM 2086 C C . THR A 1 231 ? 45.718 41.811 50.734 1.00 20.37 ? 231 THR A C 1 ATOM 2087 O O . THR A 1 231 ? 46.195 40.886 50.055 1.00 18.36 ? 231 THR A O 1 ATOM 2088 C CB . THR A 1 231 ? 46.756 42.904 52.792 1.00 22.58 ? 231 THR A CB 1 ATOM 2089 O OG1 . THR A 1 231 ? 46.249 44.200 52.443 1.00 27.76 ? 231 THR A OG1 1 ATOM 2090 C CG2 . THR A 1 231 ? 48.143 42.720 52.192 1.00 25.17 ? 231 THR A CG2 1 ATOM 2091 H H . THR A 1 231 ? 47.037 40.101 52.311 1.00 0.00 ? 231 THR A H 1 ATOM 2092 H HG1 . THR A 1 231 ? 46.193 44.288 51.489 1.00 0.00 ? 231 THR A HG1 1 ATOM 2093 N N . CYS A 1 232 ? 45.094 42.840 50.189 1.00 18.93 ? 232 CYS A N 1 ATOM 2094 C CA . CYS A 1 232 ? 44.970 42.961 48.739 1.00 22.12 ? 232 CYS A CA 1 ATOM 2095 C C . CYS A 1 232 ? 46.281 43.474 48.146 1.00 24.25 ? 232 CYS A C 1 ATOM 2096 O O . CYS A 1 232 ? 46.897 44.394 48.694 1.00 23.83 ? 232 CYS A O 1 ATOM 2097 C CB . CYS A 1 232 ? 43.771 43.839 48.381 1.00 17.97 ? 232 CYS A CB 1 ATOM 2098 S SG . CYS A 1 232 ? 42.184 43.108 48.902 1.00 19.61 ? 232 CYS A SG 1 ATOM 2099 H H . CYS A 1 232 ? 44.709 43.532 50.766 1.00 0.00 ? 232 CYS A H 1 ATOM 2100 N N . LEU A 1 233 ? 46.739 42.726 47.130 1.00 29.78 ? 233 LEU A N 1 ATOM 2101 C CA . LEU A 1 233 ? 47.990 42.864 46.345 1.00 30.00 ? 233 LEU A CA 1 ATOM 2102 C C . LEU A 1 233 ? 49.067 41.840 46.782 1.00 32.23 ? 233 LEU A C 1 ATOM 2103 O O . LEU A 1 233 ? 49.646 42.000 47.883 1.00 32.54 ? 233 LEU A O 1 ATOM 2104 C CB . LEU A 1 233 ? 48.545 44.284 46.374 1.00 31.17 ? 233 LEU A CB 1 ATOM 2105 C CG . LEU A 1 233 ? 47.810 45.361 45.574 1.00 27.45 ? 233 LEU A CG 1 ATOM 2106 C CD1 . LEU A 1 233 ? 48.829 46.027 44.689 1.00 30.50 ? 233 LEU A CD1 1 ATOM 2107 C CD2 . LEU A 1 233 ? 46.688 44.787 44.742 1.00 22.05 ? 233 LEU A CD2 1 ATOM 2108 O OXT . LEU A 1 233 ? 49.288 40.845 46.053 1.00 31.53 ? 233 LEU A OXT 1 ATOM 2109 H H . LEU A 1 233 ? 46.168 41.974 46.914 1.00 0.00 ? 233 LEU A H 1 HETATM 2110 C C1 . NAG B 2 . ? 63.854 27.066 57.882 1.00 33.07 ? 1001 NAG A C1 1 HETATM 2111 C C2 . NAG B 2 . ? 65.143 27.178 58.701 1.00 37.75 ? 1001 NAG A C2 1 HETATM 2112 C C3 . NAG B 2 . ? 65.808 25.829 58.997 1.00 38.69 ? 1001 NAG A C3 1 HETATM 2113 C C4 . NAG B 2 . ? 64.834 24.666 59.220 1.00 35.43 ? 1001 NAG A C4 1 HETATM 2114 C C5 . NAG B 2 . ? 63.707 24.725 58.204 1.00 33.67 ? 1001 NAG A C5 1 HETATM 2115 C C6 . NAG B 2 . ? 62.643 23.675 58.420 1.00 31.42 ? 1001 NAG A C6 1 HETATM 2116 C C7 . NAG B 2 . ? 66.791 28.939 58.511 1.00 41.02 ? 1001 NAG A C7 1 HETATM 2117 C C8 . NAG B 2 . ? 67.820 29.684 57.649 1.00 40.90 ? 1001 NAG A C8 1 HETATM 2118 N N2 . NAG B 2 . ? 66.113 27.952 57.939 1.00 40.59 ? 1001 NAG A N2 1 HETATM 2119 O O3 . NAG B 2 . ? 66.646 25.973 60.152 1.00 42.03 ? 1001 NAG A O3 1 HETATM 2120 O O4 . NAG B 2 . ? 65.557 23.433 59.036 1.00 37.32 ? 1001 NAG A O4 1 HETATM 2121 O O5 . NAG B 2 . ? 63.050 25.980 58.313 1.00 33.22 ? 1001 NAG A O5 1 HETATM 2122 O O6 . NAG B 2 . ? 61.829 24.013 59.532 1.00 35.65 ? 1001 NAG A O6 1 HETATM 2123 O O7 . NAG B 2 . ? 66.567 29.302 59.668 1.00 43.21 ? 1001 NAG A O7 1 HETATM 2124 H H1 . NAG B 2 . ? 64.087 26.868 56.818 1.00 0.00 ? 1001 NAG A H1 1 HETATM 2125 H H2 . NAG B 2 . ? 64.855 27.627 59.668 1.00 0.00 ? 1001 NAG A H2 1 HETATM 2126 H H3 . NAG B 2 . ? 66.453 25.556 58.144 1.00 0.00 ? 1001 NAG A H3 1 HETATM 2127 H H4 . NAG B 2 . ? 64.404 24.762 60.231 1.00 0.00 ? 1001 NAG A H4 1 HETATM 2128 H H5 . NAG B 2 . ? 64.146 24.569 57.202 1.00 0.00 ? 1001 NAG A H5 1 HETATM 2129 H H61 . NAG B 2 . ? 61.999 23.656 57.529 1.00 0.00 ? 1001 NAG A H61 1 HETATM 2130 H H62 . NAG B 2 . ? 63.052 22.661 58.491 1.00 0.00 ? 1001 NAG A H62 1 HETATM 2131 H H81 . NAG B 2 . ? 68.132 29.072 56.791 1.00 0.00 ? 1001 NAG A H81 1 HETATM 2132 H H82 . NAG B 2 . ? 68.718 29.908 58.243 1.00 0.00 ? 1001 NAG A H82 1 HETATM 2133 H H83 . NAG B 2 . ? 67.402 30.636 57.296 1.00 0.00 ? 1001 NAG A H83 1 HETATM 2134 H HN2 . NAG B 2 . ? 66.261 27.749 56.992 1.00 0.00 ? 1001 NAG A HN2 1 HETATM 2135 H HO3 . NAG B 2 . ? 66.101 26.197 60.909 1.00 0.00 ? 1001 NAG A HO3 1 HETATM 2136 H HO6 . NAG B 2 . ? 62.302 24.617 60.108 1.00 0.00 ? 1001 NAG A HO6 1 HETATM 2137 C C1 . NAG C 2 . ? 65.443 22.442 59.999 1.00 37.52 ? 1003 NAG A C1 1 HETATM 2138 C C2 . NAG C 2 . ? 66.149 21.190 59.500 1.00 39.46 ? 1003 NAG A C2 1 HETATM 2139 C C3 . NAG C 2 . ? 66.176 20.107 60.589 1.00 39.84 ? 1003 NAG A C3 1 HETATM 2140 C C4 . NAG C 2 . ? 66.667 20.670 61.939 1.00 39.71 ? 1003 NAG A C4 1 HETATM 2141 C C5 . NAG C 2 . ? 65.933 21.981 62.282 1.00 39.03 ? 1003 NAG A C5 1 HETATM 2142 C C6 . NAG C 2 . ? 66.458 22.675 63.538 1.00 40.54 ? 1003 NAG A C6 1 HETATM 2143 C C7 . NAG C 2 . ? 65.885 21.011 57.089 1.00 41.15 ? 1003 NAG A C7 1 HETATM 2144 C C8 . NAG C 2 . ? 65.108 20.421 55.929 1.00 40.90 ? 1003 NAG A C8 1 HETATM 2145 N N2 . NAG C 2 . ? 65.472 20.681 58.313 1.00 41.71 ? 1003 NAG A N2 1 HETATM 2146 O O3 . NAG C 2 . ? 67.063 19.064 60.169 1.00 40.84 ? 1003 NAG A O3 1 HETATM 2147 O O4 . NAG C 2 . ? 66.452 19.697 62.998 1.00 36.11 ? 1003 NAG A O4 1 HETATM 2148 O O5 . NAG C 2 . ? 66.069 22.913 61.194 1.00 36.52 ? 1003 NAG A O5 1 HETATM 2149 O O6 . NAG C 2 . ? 67.866 22.900 63.481 1.00 40.38 ? 1003 NAG A O6 1 HETATM 2150 O O7 . NAG C 2 . ? 66.843 21.756 56.868 1.00 41.52 ? 1003 NAG A O7 1 HETATM 2151 H H1 . NAG C 2 . ? 64.380 22.248 60.215 1.00 0.00 ? 1003 NAG A H1 1 HETATM 2152 H H2 . NAG C 2 . ? 67.204 21.448 59.299 1.00 0.00 ? 1003 NAG A H2 1 HETATM 2153 H H3 . NAG C 2 . ? 65.164 19.692 60.718 1.00 0.00 ? 1003 NAG A H3 1 HETATM 2154 H H4 . NAG C 2 . ? 67.731 20.925 61.802 1.00 0.00 ? 1003 NAG A H4 1 HETATM 2155 H H5 . NAG C 2 . ? 64.859 21.782 62.442 1.00 0.00 ? 1003 NAG A H5 1 HETATM 2156 H H61 . NAG C 2 . ? 66.225 22.061 64.421 1.00 0.00 ? 1003 NAG A H61 1 HETATM 2157 H H62 . NAG C 2 . ? 65.941 23.637 63.674 1.00 0.00 ? 1003 NAG A H62 1 HETATM 2158 H H81 . NAG C 2 . ? 65.104 21.118 55.078 1.00 0.00 ? 1003 NAG A H81 1 HETATM 2159 H H82 . NAG C 2 . ? 64.067 20.216 56.217 1.00 0.00 ? 1003 NAG A H82 1 HETATM 2160 H H83 . NAG C 2 . ? 65.578 19.483 55.605 1.00 0.00 ? 1003 NAG A H83 1 HETATM 2161 H HN2 . NAG C 2 . ? 64.707 20.078 58.417 1.00 0.00 ? 1003 NAG A HN2 1 HETATM 2162 H HO3 . NAG C 2 . ? 67.947 19.422 60.062 1.00 0.00 ? 1003 NAG A HO3 1 HETATM 2163 H HO6 . NAG C 2 . ? 68.137 22.995 62.564 1.00 0.00 ? 1003 NAG A HO6 1 HETATM 2164 C C1 . BMA D 3 . ? 67.554 18.939 63.406 1.00 35.05 ? 1004 BMA A C1 1 HETATM 2165 C C2 . BMA D 3 . ? 67.287 18.314 64.782 1.00 32.77 ? 1004 BMA A C2 1 HETATM 2166 C C3 . BMA D 3 . ? 68.449 17.399 65.170 1.00 32.86 ? 1004 BMA A C3 1 HETATM 2167 C C4 . BMA D 3 . ? 68.688 16.365 64.070 1.00 32.90 ? 1004 BMA A C4 1 HETATM 2168 C C5 . BMA D 3 . ? 68.882 17.065 62.731 1.00 32.88 ? 1004 BMA A C5 1 HETATM 2169 C C6 . BMA D 3 . ? 69.047 16.053 61.618 1.00 32.48 ? 1004 BMA A C6 1 HETATM 2170 O O2 . BMA D 3 . ? 66.059 17.575 64.747 1.00 31.99 ? 1004 BMA A O2 1 HETATM 2171 O O3 . BMA D 3 . ? 68.192 16.739 66.422 1.00 35.68 ? 1004 BMA A O3 1 HETATM 2172 O O4 . BMA D 3 . ? 69.882 15.632 64.367 1.00 33.45 ? 1004 BMA A O4 1 HETATM 2173 O O5 . BMA D 3 . ? 67.766 17.912 62.427 1.00 32.55 ? 1004 BMA A O5 1 HETATM 2174 O O6 . BMA D 3 . ? 69.237 16.786 60.392 1.00 31.53 ? 1004 BMA A O6 1 HETATM 2175 H H1 . BMA D 3 . ? 68.445 19.594 63.447 1.00 0.00 ? 1004 BMA A H1 1 HETATM 2176 H H2 . BMA D 3 . ? 67.151 19.128 65.514 1.00 0.00 ? 1004 BMA A H2 1 HETATM 2177 H H3 . BMA D 3 . ? 69.353 18.017 65.293 1.00 0.00 ? 1004 BMA A H3 1 HETATM 2178 H H4 . BMA D 3 . ? 67.833 15.674 64.015 1.00 0.00 ? 1004 BMA A H4 1 HETATM 2179 H H5 . BMA D 3 . ? 69.794 17.688 62.764 1.00 0.00 ? 1004 BMA A H5 1 HETATM 2180 H H61 . BMA D 3 . ? 68.159 15.406 61.559 1.00 0.00 ? 1004 BMA A H61 1 HETATM 2181 H H62 . BMA D 3 . ? 69.930 15.424 61.805 1.00 0.00 ? 1004 BMA A H62 1 HETATM 2182 H HO2 . BMA D 3 . ? 66.143 16.854 64.120 1.00 0.00 ? 1004 BMA A HO2 1 HETATM 2183 H HO3 . BMA D 3 . ? 68.032 17.398 67.102 1.00 0.00 ? 1004 BMA A HO3 1 HETATM 2184 H HO4 . BMA D 3 . ? 70.628 16.236 64.401 1.00 0.00 ? 1004 BMA A HO4 1 HETATM 2185 C C1 . MAN E 4 . ? 69.511 16.059 59.230 1.00 29.65 ? 1005 MAN A C1 1 HETATM 2186 C C2 . MAN E 4 . ? 69.865 16.962 58.068 1.00 28.82 ? 1005 MAN A C2 1 HETATM 2187 C C3 . MAN E 4 . ? 68.590 17.587 57.474 1.00 29.40 ? 1005 MAN A C3 1 HETATM 2188 C C4 . MAN E 4 . ? 67.559 16.496 57.168 1.00 26.55 ? 1005 MAN A C4 1 HETATM 2189 C C5 . MAN E 4 . ? 67.282 15.653 58.409 1.00 26.77 ? 1005 MAN A C5 1 HETATM 2190 C C6 . MAN E 4 . ? 66.317 14.533 58.111 1.00 25.73 ? 1005 MAN A C6 1 HETATM 2191 O O2 . MAN E 4 . ? 70.551 16.199 57.073 1.00 26.13 ? 1005 MAN A O2 1 HETATM 2192 O O3 . MAN E 4 . ? 68.910 18.310 56.261 1.00 37.34 ? 1005 MAN A O3 1 HETATM 2193 O O4 . MAN E 4 . ? 66.339 17.104 56.740 1.00 26.45 ? 1005 MAN A O4 1 HETATM 2194 O O5 . MAN E 4 . ? 68.514 15.092 58.902 1.00 27.95 ? 1005 MAN A O5 1 HETATM 2195 O O6 . MAN E 4 . ? 66.965 13.614 57.207 1.00 24.38 ? 1005 MAN A O6 1 HETATM 2196 H H1 . MAN E 4 . ? 68.686 16.745 59.589 1.00 0.00 ? 1005 MAN A H1 1 HETATM 2197 H H2 . MAN E 4 . ? 70.569 17.732 58.426 1.00 0.00 ? 1005 MAN A H2 1 HETATM 2198 H H3 . MAN E 4 . ? 68.145 18.311 58.168 1.00 0.00 ? 1005 MAN A H3 1 HETATM 2199 H H4 . MAN E 4 . ? 67.946 15.860 56.357 1.00 0.00 ? 1005 MAN A H4 1 HETATM 2200 H H5 . MAN E 4 . ? 66.733 16.262 59.156 1.00 0.00 ? 1005 MAN A H5 1 HETATM 2201 H H61 . MAN E 4 . ? 65.378 14.967 57.733 1.00 0.00 ? 1005 MAN A H61 1 HETATM 2202 H H62 . MAN E 4 . ? 66.061 14.010 59.044 1.00 0.00 ? 1005 MAN A H62 1 HETATM 2203 H HO2 . MAN E 4 . ? 71.326 15.791 57.466 1.00 0.00 ? 1005 MAN A HO2 1 HETATM 2204 H HO4 . MAN E 4 . ? 66.506 17.620 55.947 1.00 0.00 ? 1005 MAN A HO4 1 HETATM 2205 C C1 . MAN F 4 . ? 66.133 12.662 56.611 1.00 24.30 ? 1006 MAN A C1 1 HETATM 2206 C C2 . MAN F 4 . ? 66.836 11.865 55.543 1.00 25.37 ? 1006 MAN A C2 1 HETATM 2207 C C3 . MAN F 4 . ? 67.009 12.765 54.300 1.00 26.16 ? 1006 MAN A C3 1 HETATM 2208 C C4 . MAN F 4 . ? 65.674 13.434 53.876 1.00 25.46 ? 1006 MAN A C4 1 HETATM 2209 C C5 . MAN F 4 . ? 64.892 14.073 55.067 1.00 26.98 ? 1006 MAN A C5 1 HETATM 2210 C C6 . MAN F 4 . ? 63.447 14.519 54.704 1.00 23.49 ? 1006 MAN A C6 1 HETATM 2211 O O2 . MAN F 4 . ? 66.061 10.697 55.230 1.00 23.65 ? 1006 MAN A O2 1 HETATM 2212 O O3 . MAN F 4 . ? 67.562 12.005 53.219 1.00 25.38 ? 1006 MAN A O3 1 HETATM 2213 O O4 . MAN F 4 . ? 65.960 14.456 52.909 1.00 27.56 ? 1006 MAN A O4 1 HETATM 2214 O O5 . MAN F 4 . ? 64.860 13.163 56.204 1.00 24.41 ? 1006 MAN A O5 1 HETATM 2215 O O6 . MAN F 4 . ? 62.601 13.395 54.403 1.00 21.97 ? 1006 MAN A O6 1 HETATM 2216 H H1 . MAN F 4 . ? 66.604 13.615 56.246 1.00 0.00 ? 1006 MAN A H1 1 HETATM 2217 H H2 . MAN F 4 . ? 67.799 11.500 55.940 1.00 0.00 ? 1006 MAN A H2 1 HETATM 2218 H H3 . MAN F 4 . ? 67.771 13.547 54.479 1.00 0.00 ? 1006 MAN A H3 1 HETATM 2219 H H4 . MAN F 4 . ? 65.023 12.684 53.482 1.00 0.00 ? 1006 MAN A H4 1 HETATM 2220 H H5 . MAN F 4 . ? 65.378 15.032 55.323 1.00 0.00 ? 1006 MAN A H5 1 HETATM 2221 H H61 . MAN F 4 . ? 63.456 15.224 53.861 1.00 0.00 ? 1006 MAN A H61 1 HETATM 2222 H H62 . MAN F 4 . ? 63.015 15.052 55.565 1.00 0.00 ? 1006 MAN A H62 1 HETATM 2223 H HO2 . MAN F 4 . ? 65.947 10.169 56.024 1.00 0.00 ? 1006 MAN A HO2 1 HETATM 2224 H HO3 . MAN F 4 . ? 68.394 11.616 53.497 1.00 0.00 ? 1006 MAN A HO3 1 HETATM 2225 H HO4 . MAN F 4 . ? 66.542 15.110 53.304 1.00 0.00 ? 1006 MAN A HO4 1 HETATM 2226 H HO6 . MAN F 4 . ? 62.137 13.120 55.197 1.00 0.00 ? 1006 MAN A HO6 1 HETATM 2227 C C1 . MAN G 4 . ? 69.312 19.640 56.381 1.00 45.37 ? 1007 MAN A C1 1 HETATM 2228 C C2 . MAN G 4 . ? 69.009 20.480 55.161 1.00 48.96 ? 1007 MAN A C2 1 HETATM 2229 C C3 . MAN G 4 . ? 69.935 20.076 54.019 1.00 48.83 ? 1007 MAN A C3 1 HETATM 2230 C C4 . MAN G 4 . ? 71.405 20.162 54.459 1.00 49.26 ? 1007 MAN A C4 1 HETATM 2231 C C5 . MAN G 4 . ? 71.722 19.520 55.846 1.00 48.05 ? 1007 MAN A C5 1 HETATM 2232 C C6 . MAN G 4 . ? 73.051 20.096 56.379 1.00 48.33 ? 1007 MAN A C6 1 HETATM 2233 O O2 . MAN G 4 . ? 69.218 21.865 55.483 1.00 52.35 ? 1007 MAN A O2 1 HETATM 2234 O O3 . MAN G 4 . ? 69.715 20.961 52.910 1.00 49.69 ? 1007 MAN A O3 1 HETATM 2235 O O4 . MAN G 4 . ? 72.216 19.525 53.463 1.00 47.44 ? 1007 MAN A O4 1 HETATM 2236 O O5 . MAN G 4 . ? 70.680 19.776 56.840 1.00 47.84 ? 1007 MAN A O5 1 HETATM 2237 O O6 . MAN G 4 . ? 73.191 19.833 57.780 1.00 49.99 ? 1007 MAN A O6 1 HETATM 2238 H H1 . MAN G 4 . ? 69.732 18.728 55.881 1.00 0.00 ? 1007 MAN A H1 1 HETATM 2239 H H2 . MAN G 4 . ? 67.949 20.347 54.895 1.00 0.00 ? 1007 MAN A H2 1 HETATM 2240 H H3 . MAN G 4 . ? 69.702 19.057 53.669 1.00 0.00 ? 1007 MAN A H3 1 HETATM 2241 H H4 . MAN G 4 . ? 71.660 21.232 54.484 1.00 0.00 ? 1007 MAN A H4 1 HETATM 2242 H H5 . MAN G 4 . ? 71.861 18.425 55.790 1.00 0.00 ? 1007 MAN A H5 1 HETATM 2243 H H61 . MAN G 4 . ? 73.030 21.187 56.327 1.00 0.00 ? 1007 MAN A H61 1 HETATM 2244 H H62 . MAN G 4 . ? 73.901 19.584 55.909 1.00 0.00 ? 1007 MAN A H62 1 HETATM 2245 H HO2 . MAN G 4 . ? 68.749 22.089 56.288 1.00 0.00 ? 1007 MAN A HO2 1 HETATM 2246 H HO3 . MAN G 4 . ? 69.911 21.861 53.181 1.00 0.00 ? 1007 MAN A HO3 1 HETATM 2247 H HO4 . MAN G 4 . ? 72.005 18.589 53.427 1.00 0.00 ? 1007 MAN A HO4 1 HETATM 2248 H HO6 . MAN G 4 . ? 72.779 18.990 57.987 1.00 0.00 ? 1007 MAN A HO6 1 HETATM 2249 C C1 . NAG H 2 . ? 58.268 19.532 10.326 1.00 43.04 ? 1002 NAG A C1 1 HETATM 2250 C C2 . NAG H 2 . ? 59.607 19.252 9.628 1.00 46.35 ? 1002 NAG A C2 1 HETATM 2251 C C3 . NAG H 2 . ? 60.285 20.564 9.175 1.00 46.72 ? 1002 NAG A C3 1 HETATM 2252 C C4 . NAG H 2 . ? 59.333 21.335 8.288 1.00 43.68 ? 1002 NAG A C4 1 HETATM 2253 C C5 . NAG H 2 . ? 58.043 21.591 9.042 1.00 42.87 ? 1002 NAG A C5 1 HETATM 2254 C C6 . NAG H 2 . ? 57.052 22.323 8.135 1.00 45.07 ? 1002 NAG A C6 1 HETATM 2255 C C7 . NAG H 2 . ? 60.913 17.319 10.231 1.00 53.39 ? 1002 NAG A C7 1 HETATM 2256 C C8 . NAG H 2 . ? 61.854 16.666 11.235 1.00 55.14 ? 1002 NAG A C8 1 HETATM 2257 N N2 . NAG H 2 . ? 60.492 18.544 10.529 1.00 51.22 ? 1002 NAG A N2 1 HETATM 2258 O O3 . NAG H 2 . ? 61.504 20.293 8.455 1.00 47.46 ? 1002 NAG A O3 1 HETATM 2259 O O4 . NAG H 2 . ? 59.928 22.576 7.882 1.00 43.85 ? 1002 NAG A O4 1 HETATM 2260 O O5 . NAG H 2 . ? 57.439 20.331 9.450 1.00 42.77 ? 1002 NAG A O5 1 HETATM 2261 O O6 . NAG H 2 . ? 55.697 22.099 8.509 1.00 48.86 ? 1002 NAG A O6 1 HETATM 2262 O O7 . NAG H 2 . ? 60.562 16.709 9.211 1.00 54.92 ? 1002 NAG A O7 1 HETATM 2263 H H1 . NAG H 2 . ? 58.383 20.126 11.244 1.00 0.00 ? 1002 NAG A H1 1 HETATM 2264 H H2 . NAG H 2 . ? 59.362 18.689 8.710 1.00 0.00 ? 1002 NAG A H2 1 HETATM 2265 H H3 . NAG H 2 . ? 60.530 21.169 10.063 1.00 0.00 ? 1002 NAG A H3 1 HETATM 2266 H H4 . NAG H 2 . ? 59.126 20.734 7.388 1.00 0.00 ? 1002 NAG A H4 1 HETATM 2267 H H5 . NAG H 2 . ? 58.185 22.175 9.961 1.00 0.00 ? 1002 NAG A H5 1 HETATM 2268 H H61 . NAG H 2 . ? 57.252 23.404 8.171 1.00 0.00 ? 1002 NAG A H61 1 HETATM 2269 H H62 . NAG H 2 . ? 57.162 22.018 7.084 1.00 0.00 ? 1002 NAG A H62 1 HETATM 2270 H H81 . NAG H 2 . ? 61.625 16.999 12.258 1.00 0.00 ? 1002 NAG A H81 1 HETATM 2271 H H82 . NAG H 2 . ? 62.896 16.925 10.999 1.00 0.00 ? 1002 NAG A H82 1 HETATM 2272 H H83 . NAG H 2 . ? 61.752 15.571 11.197 1.00 0.00 ? 1002 NAG A H83 1 HETATM 2273 H HN2 . NAG H 2 . ? 60.782 18.968 11.363 1.00 0.00 ? 1002 NAG A HN2 1 HETATM 2274 H HO3 . NAG H 2 . ? 61.907 21.123 8.190 1.00 0.00 ? 1002 NAG A HO3 1 HETATM 2275 H HO4 . NAG H 2 . ? 59.316 23.050 7.315 1.00 0.00 ? 1002 NAG A HO4 1 HETATM 2276 H HO6 . NAG H 2 . ? 55.627 22.112 9.467 1.00 0.00 ? 1002 NAG A HO6 1 HETATM 2277 O O . HOH I 5 . ? 36.107 36.851 59.555 1.00 12.98 ? 1008 HOH A O 1 HETATM 2278 H H1 . HOH I 5 . ? 36.125 37.670 59.061 1.00 0.00 ? 1008 HOH A H1 1 HETATM 2279 H H2 . HOH I 5 . ? 36.510 37.061 60.397 1.00 0.00 ? 1008 HOH A H2 1 HETATM 2280 O O . HOH I 5 . ? 50.115 26.361 39.303 1.00 11.46 ? 1009 HOH A O 1 HETATM 2281 H H1 . HOH I 5 . ? 51.065 26.483 39.319 1.00 0.00 ? 1009 HOH A H1 1 HETATM 2282 H H2 . HOH I 5 . ? 49.905 25.943 40.136 1.00 0.00 ? 1009 HOH A H2 1 HETATM 2283 O O . HOH I 5 . ? 51.430 30.983 34.741 1.00 15.61 ? 1010 HOH A O 1 HETATM 2284 H H1 . HOH I 5 . ? 51.769 31.094 33.853 1.00 0.00 ? 1010 HOH A H1 1 HETATM 2285 H H2 . HOH I 5 . ? 50.558 30.607 34.627 1.00 0.00 ? 1010 HOH A H2 1 HETATM 2286 O O . HOH I 5 . ? 47.867 24.206 37.808 1.00 12.42 ? 1011 HOH A O 1 HETATM 2287 H H1 . HOH I 5 . ? 48.446 24.611 38.453 1.00 0.00 ? 1011 HOH A H1 1 HETATM 2288 H H2 . HOH I 5 . ? 48.309 24.356 36.972 1.00 0.00 ? 1011 HOH A H2 1 HETATM 2289 O O . HOH I 5 . ? 31.585 28.029 52.647 1.00 20.86 ? 1012 HOH A O 1 HETATM 2290 H H1 . HOH I 5 . ? 31.499 28.037 53.600 1.00 0.00 ? 1012 HOH A H1 1 HETATM 2291 H H2 . HOH I 5 . ? 30.684 28.083 52.327 1.00 0.00 ? 1012 HOH A H2 1 HETATM 2292 O O . HOH I 5 . ? 44.997 25.244 23.324 1.00 17.09 ? 1013 HOH A O 1 HETATM 2293 H H1 . HOH I 5 . ? 44.799 25.915 23.976 1.00 0.00 ? 1013 HOH A H1 1 HETATM 2294 H H2 . HOH I 5 . ? 44.418 24.518 23.557 1.00 0.00 ? 1013 HOH A H2 1 HETATM 2295 O O . HOH I 5 . ? 56.146 30.656 25.109 1.00 13.48 ? 1014 HOH A O 1 HETATM 2296 H H1 . HOH I 5 . ? 55.423 30.864 25.702 1.00 0.00 ? 1014 HOH A H1 1 HETATM 2297 H H2 . HOH I 5 . ? 55.864 31.015 24.268 1.00 0.00 ? 1014 HOH A H2 1 HETATM 2298 O O . HOH I 5 . ? 52.312 23.359 33.937 1.00 10.76 ? 1015 HOH A O 1 HETATM 2299 H H1 . HOH I 5 . ? 52.709 24.225 33.837 1.00 0.00 ? 1015 HOH A H1 1 HETATM 2300 H H2 . HOH I 5 . ? 52.791 22.819 33.309 1.00 0.00 ? 1015 HOH A H2 1 HETATM 2301 O O . HOH I 5 . ? 36.515 32.480 58.561 1.00 14.98 ? 1016 HOH A O 1 HETATM 2302 H H1 . HOH I 5 . ? 36.468 33.299 59.054 1.00 0.00 ? 1016 HOH A H1 1 HETATM 2303 H H2 . HOH I 5 . ? 35.862 31.916 58.977 1.00 0.00 ? 1016 HOH A H2 1 HETATM 2304 O O . HOH I 5 . ? 49.777 30.443 16.991 1.00 20.83 ? 1017 HOH A O 1 HETATM 2305 H H1 . HOH I 5 . ? 49.641 29.507 16.847 1.00 0.00 ? 1017 HOH A H1 1 HETATM 2306 H H2 . HOH I 5 . ? 50.711 30.582 16.830 1.00 0.00 ? 1017 HOH A H2 1 HETATM 2307 O O . HOH I 5 . ? 50.493 19.405 44.744 1.00 15.21 ? 1018 HOH A O 1 HETATM 2308 H H1 . HOH I 5 . ? 50.871 18.682 44.244 1.00 0.00 ? 1018 HOH A H1 1 HETATM 2309 H H2 . HOH I 5 . ? 49.566 19.400 44.502 1.00 0.00 ? 1018 HOH A H2 1 HETATM 2310 O O . HOH I 5 . ? 49.494 23.479 45.309 1.00 18.25 ? 1019 HOH A O 1 HETATM 2311 H H1 . HOH I 5 . ? 48.555 23.474 45.500 1.00 0.00 ? 1019 HOH A H1 1 HETATM 2312 H H2 . HOH I 5 . ? 49.685 22.587 45.017 1.00 0.00 ? 1019 HOH A H2 1 HETATM 2313 O O . HOH I 5 . ? 44.894 39.444 40.528 1.00 18.24 ? 1020 HOH A O 1 HETATM 2314 H H1 . HOH I 5 . ? 45.114 38.560 40.819 1.00 0.00 ? 1020 HOH A H1 1 HETATM 2315 H H2 . HOH I 5 . ? 44.264 39.315 39.819 1.00 0.00 ? 1020 HOH A H2 1 HETATM 2316 O O . HOH I 5 . ? 52.873 27.152 46.153 1.00 16.03 ? 1021 HOH A O 1 HETATM 2317 H H1 . HOH I 5 . ? 52.982 28.085 45.971 1.00 0.00 ? 1021 HOH A H1 1 HETATM 2318 H H2 . HOH I 5 . ? 53.525 26.951 46.824 1.00 0.00 ? 1021 HOH A H2 1 HETATM 2319 O O . HOH I 5 . ? 51.363 25.758 36.737 1.00 12.87 ? 1022 HOH A O 1 HETATM 2320 H H1 . HOH I 5 . ? 52.134 25.727 37.293 1.00 0.00 ? 1022 HOH A H1 1 HETATM 2321 H H2 . HOH I 5 . ? 50.655 26.018 37.327 1.00 0.00 ? 1022 HOH A H2 1 HETATM 2322 O O . HOH I 5 . ? 40.216 33.189 15.762 1.00 16.99 ? 1023 HOH A O 1 HETATM 2323 H H1 . HOH I 5 . ? 40.691 33.383 14.954 1.00 0.00 ? 1023 HOH A H1 1 HETATM 2324 H H2 . HOH I 5 . ? 40.555 32.338 16.038 1.00 0.00 ? 1023 HOH A H2 1 HETATM 2325 O O . HOH I 5 . ? 52.264 30.452 18.743 1.00 12.82 ? 1024 HOH A O 1 HETATM 2326 H H1 . HOH I 5 . ? 52.926 29.764 18.810 1.00 0.00 ? 1024 HOH A H1 1 HETATM 2327 H H2 . HOH I 5 . ? 52.500 31.072 19.432 1.00 0.00 ? 1024 HOH A H2 1 HETATM 2328 O O . HOH I 5 . ? 58.756 27.152 27.148 1.00 22.50 ? 1025 HOH A O 1 HETATM 2329 H H1 . HOH I 5 . ? 58.241 26.495 26.678 1.00 0.00 ? 1025 HOH A H1 1 HETATM 2330 H H2 . HOH I 5 . ? 59.348 26.640 27.699 1.00 0.00 ? 1025 HOH A H2 1 HETATM 2331 O O . HOH I 5 . ? 58.061 27.510 35.257 1.00 26.63 ? 1026 HOH A O 1 HETATM 2332 H H1 . HOH I 5 . ? 57.927 27.310 34.331 1.00 0.00 ? 1026 HOH A H1 1 HETATM 2333 H H2 . HOH I 5 . ? 57.176 27.575 35.617 1.00 0.00 ? 1026 HOH A H2 1 HETATM 2334 O O . HOH I 5 . ? 37.248 21.429 45.189 1.00 20.25 ? 1027 HOH A O 1 HETATM 2335 H H1 . HOH I 5 . ? 37.776 21.878 45.849 1.00 0.00 ? 1027 HOH A H1 1 HETATM 2336 H H2 . HOH I 5 . ? 36.958 22.129 44.603 1.00 0.00 ? 1027 HOH A H2 1 HETATM 2337 O O . HOH I 5 . ? 51.557 24.930 44.424 1.00 18.66 ? 1028 HOH A O 1 HETATM 2338 H H1 . HOH I 5 . ? 51.800 24.476 45.230 1.00 0.00 ? 1028 HOH A H1 1 HETATM 2339 H H2 . HOH I 5 . ? 50.614 24.788 44.335 1.00 0.00 ? 1028 HOH A H2 1 HETATM 2340 O O . HOH I 5 . ? 61.167 22.418 49.495 1.00 25.42 ? 1029 HOH A O 1 HETATM 2341 H H1 . HOH I 5 . ? 61.660 23.192 49.224 1.00 0.00 ? 1029 HOH A H1 1 HETATM 2342 H H2 . HOH I 5 . ? 60.250 22.675 49.399 1.00 0.00 ? 1029 HOH A H2 1 HETATM 2343 O O . HOH I 5 . ? 48.390 29.998 33.394 1.00 21.74 ? 1030 HOH A O 1 HETATM 2344 H H1 . HOH I 5 . ? 48.685 29.324 32.782 1.00 0.00 ? 1030 HOH A H1 1 HETATM 2345 H H2 . HOH I 5 . ? 48.719 29.705 34.245 1.00 0.00 ? 1030 HOH A H2 1 HETATM 2346 O O . HOH I 5 . ? 56.816 29.860 60.227 1.00 20.15 ? 1031 HOH A O 1 HETATM 2347 H H1 . HOH I 5 . ? 56.983 29.754 59.291 1.00 0.00 ? 1031 HOH A H1 1 HETATM 2348 H H2 . HOH I 5 . ? 55.929 30.213 60.277 1.00 0.00 ? 1031 HOH A H2 1 HETATM 2349 O O . HOH I 5 . ? 45.967 31.740 52.491 1.00 33.30 ? 1032 HOH A O 1 HETATM 2350 H H1 . HOH I 5 . ? 45.766 31.672 51.557 1.00 0.00 ? 1032 HOH A H1 1 HETATM 2351 H H2 . HOH I 5 . ? 45.698 30.897 52.855 1.00 0.00 ? 1032 HOH A H2 1 HETATM 2352 O O . HOH I 5 . ? 45.497 34.573 51.621 1.00 24.00 ? 1033 HOH A O 1 HETATM 2353 H H1 . HOH I 5 . ? 46.115 35.247 51.905 1.00 0.00 ? 1033 HOH A H1 1 HETATM 2354 H H2 . HOH I 5 . ? 44.657 35.028 51.558 1.00 0.00 ? 1033 HOH A H2 1 HETATM 2355 O O . HOH I 5 . ? 61.059 31.763 33.621 1.00 35.70 ? 1034 HOH A O 1 HETATM 2356 H H1 . HOH I 5 . ? 60.207 31.418 33.356 1.00 0.00 ? 1034 HOH A H1 1 HETATM 2357 H H2 . HOH I 5 . ? 60.996 32.705 33.461 1.00 0.00 ? 1034 HOH A H2 1 HETATM 2358 O O . HOH I 5 . ? 48.963 18.939 55.638 1.00 31.29 ? 1035 HOH A O 1 HETATM 2359 H H1 . HOH I 5 . ? 48.111 18.878 55.207 1.00 0.00 ? 1035 HOH A H1 1 HETATM 2360 H H2 . HOH I 5 . ? 49.508 19.425 55.018 1.00 0.00 ? 1035 HOH A H2 1 HETATM 2361 O O . HOH I 5 . ? 45.052 29.668 56.430 1.00 26.00 ? 1036 HOH A O 1 HETATM 2362 H H1 . HOH I 5 . ? 45.410 30.000 57.254 1.00 0.00 ? 1036 HOH A H1 1 HETATM 2363 H H2 . HOH I 5 . ? 44.159 30.011 56.402 1.00 0.00 ? 1036 HOH A H2 1 HETATM 2364 O O . HOH I 5 . ? 47.992 38.677 50.670 1.00 28.51 ? 1037 HOH A O 1 HETATM 2365 H H1 . HOH I 5 . ? 47.768 38.731 49.741 1.00 0.00 ? 1037 HOH A H1 1 HETATM 2366 H H2 . HOH I 5 . ? 47.223 39.026 51.122 1.00 0.00 ? 1037 HOH A H2 1 HETATM 2367 O O . HOH I 5 . ? 41.885 16.443 31.903 1.00 32.46 ? 1038 HOH A O 1 HETATM 2368 H H1 . HOH I 5 . ? 42.722 15.980 31.939 1.00 0.00 ? 1038 HOH A H1 1 HETATM 2369 H H2 . HOH I 5 . ? 41.666 16.616 32.819 1.00 0.00 ? 1038 HOH A H2 1 HETATM 2370 O O . HOH I 5 . ? 51.672 15.543 29.362 1.00 23.62 ? 1039 HOH A O 1 HETATM 2371 H H1 . HOH I 5 . ? 51.915 16.260 29.949 1.00 0.00 ? 1039 HOH A H1 1 HETATM 2372 H H2 . HOH I 5 . ? 50.728 15.642 29.242 1.00 0.00 ? 1039 HOH A H2 1 HETATM 2373 O O . HOH I 5 . ? 35.447 33.766 21.079 1.00 40.85 ? 1040 HOH A O 1 HETATM 2374 H H1 . HOH I 5 . ? 35.924 33.097 20.586 1.00 0.00 ? 1040 HOH A H1 1 HETATM 2375 H H2 . HOH I 5 . ? 35.070 33.291 21.820 1.00 0.00 ? 1040 HOH A H2 1 HETATM 2376 O O . HOH I 5 . ? 35.412 16.843 20.683 1.00 16.71 ? 1041 HOH A O 1 HETATM 2377 H H1 . HOH I 5 . ? 34.491 16.586 20.728 1.00 0.00 ? 1041 HOH A H1 1 HETATM 2378 H H2 . HOH I 5 . ? 35.412 17.781 20.872 1.00 0.00 ? 1041 HOH A H2 1 HETATM 2379 O O . HOH I 5 . ? 35.325 34.083 28.822 1.00 32.57 ? 1042 HOH A O 1 HETATM 2380 H H1 . HOH I 5 . ? 35.191 34.916 28.371 1.00 0.00 ? 1042 HOH A H1 1 HETATM 2381 H H2 . HOH I 5 . ? 36.168 34.184 29.264 1.00 0.00 ? 1042 HOH A H2 1 HETATM 2382 O O . HOH I 5 . ? 50.868 13.405 25.607 1.00 28.54 ? 1043 HOH A O 1 HETATM 2383 H H1 . HOH I 5 . ? 50.049 12.920 25.709 1.00 0.00 ? 1043 HOH A H1 1 HETATM 2384 H H2 . HOH I 5 . ? 50.597 14.314 25.472 1.00 0.00 ? 1043 HOH A H2 1 HETATM 2385 O O . HOH I 5 . ? 58.230 29.898 26.862 1.00 33.28 ? 1044 HOH A O 1 HETATM 2386 H H1 . HOH I 5 . ? 58.546 29.671 27.737 1.00 0.00 ? 1044 HOH A H1 1 HETATM 2387 H H2 . HOH I 5 . ? 57.403 30.355 27.019 1.00 0.00 ? 1044 HOH A H2 1 HETATM 2388 O O . HOH I 5 . ? 41.548 15.112 47.385 1.00 26.00 ? 1045 HOH A O 1 HETATM 2389 H H1 . HOH I 5 . ? 41.638 14.967 46.443 1.00 0.00 ? 1045 HOH A H1 1 HETATM 2390 H H2 . HOH I 5 . ? 41.611 16.062 47.486 1.00 0.00 ? 1045 HOH A H2 1 HETATM 2391 O O . HOH I 5 . ? 60.868 32.935 59.247 1.00 29.41 ? 1046 HOH A O 1 HETATM 2392 H H1 . HOH I 5 . ? 60.298 33.091 58.494 1.00 0.00 ? 1046 HOH A H1 1 HETATM 2393 H H2 . HOH I 5 . ? 61.748 32.886 58.875 1.00 0.00 ? 1046 HOH A H2 1 HETATM 2394 O O . HOH I 5 . ? 39.919 17.676 30.314 1.00 29.60 ? 1047 HOH A O 1 HETATM 2395 H H1 . HOH I 5 . ? 39.629 18.563 30.099 1.00 0.00 ? 1047 HOH A H1 1 HETATM 2396 H H2 . HOH I 5 . ? 40.796 17.796 30.681 1.00 0.00 ? 1047 HOH A H2 1 HETATM 2397 O O . HOH I 5 . ? 29.949 26.039 49.927 1.00 53.52 ? 1048 HOH A O 1 HETATM 2398 H H1 . HOH I 5 . ? 30.599 26.740 49.882 1.00 0.00 ? 1048 HOH A H1 1 HETATM 2399 H H2 . HOH I 5 . ? 29.827 25.770 49.016 1.00 0.00 ? 1048 HOH A H2 1 HETATM 2400 O O . HOH I 5 . ? 30.835 22.910 45.340 1.00 27.28 ? 1049 HOH A O 1 HETATM 2401 H H1 . HOH I 5 . ? 30.749 23.817 45.633 1.00 0.00 ? 1049 HOH A H1 1 HETATM 2402 H H2 . HOH I 5 . ? 31.520 22.941 44.671 1.00 0.00 ? 1049 HOH A H2 1 HETATM 2403 O O . HOH I 5 . ? 38.435 34.629 24.091 1.00 62.06 ? 1050 HOH A O 1 HETATM 2404 H H1 . HOH I 5 . ? 39.386 34.546 24.029 1.00 0.00 ? 1050 HOH A H1 1 HETATM 2405 H H2 . HOH I 5 . ? 38.177 33.974 24.740 1.00 0.00 ? 1050 HOH A H2 1 HETATM 2406 O O . HOH I 5 . ? 64.609 30.380 49.313 1.00 23.34 ? 1051 HOH A O 1 HETATM 2407 H H1 . HOH I 5 . ? 63.942 29.704 49.197 1.00 0.00 ? 1051 HOH A H1 1 HETATM 2408 H H2 . HOH I 5 . ? 64.804 30.361 50.249 1.00 0.00 ? 1051 HOH A H2 1 HETATM 2409 O O . HOH I 5 . ? 56.807 9.508 50.377 1.00 33.75 ? 1052 HOH A O 1 HETATM 2410 H H1 . HOH I 5 . ? 57.193 9.767 49.540 1.00 0.00 ? 1052 HOH A H1 1 HETATM 2411 H H2 . HOH I 5 . ? 57.560 9.305 50.933 1.00 0.00 ? 1052 HOH A H2 1 HETATM 2412 O O . HOH I 5 . ? 31.406 20.662 43.742 1.00 33.50 ? 1053 HOH A O 1 HETATM 2413 H H1 . HOH I 5 . ? 31.661 21.574 43.603 1.00 0.00 ? 1053 HOH A H1 1 HETATM 2414 H H2 . HOH I 5 . ? 31.691 20.212 42.946 1.00 0.00 ? 1053 HOH A H2 1 HETATM 2415 O O . HOH I 5 . ? 50.861 19.124 15.354 1.00 32.42 ? 1054 HOH A O 1 HETATM 2416 H H1 . HOH I 5 . ? 51.747 18.762 15.328 1.00 0.00 ? 1054 HOH A H1 1 HETATM 2417 H H2 . HOH I 5 . ? 50.397 18.571 15.983 1.00 0.00 ? 1054 HOH A H2 1 HETATM 2418 O O . HOH I 5 . ? 56.720 18.326 48.265 1.00 20.36 ? 1055 HOH A O 1 HETATM 2419 H H1 . HOH I 5 . ? 55.833 17.996 48.412 1.00 0.00 ? 1055 HOH A H1 1 HETATM 2420 H H2 . HOH I 5 . ? 56.691 19.235 48.561 1.00 0.00 ? 1055 HOH A H2 1 HETATM 2421 O O . HOH I 5 . ? 61.842 19.635 26.481 1.00 22.92 ? 1056 HOH A O 1 HETATM 2422 H H1 . HOH I 5 . ? 61.321 19.686 27.282 1.00 0.00 ? 1056 HOH A H1 1 HETATM 2423 H H2 . HOH I 5 . ? 62.149 18.728 26.456 1.00 0.00 ? 1056 HOH A H2 1 HETATM 2424 O O . HOH I 5 . ? 56.702 37.004 34.516 1.00 39.65 ? 1057 HOH A O 1 HETATM 2425 H H1 . HOH I 5 . ? 55.993 37.048 35.156 1.00 0.00 ? 1057 HOH A H1 1 HETATM 2426 H H2 . HOH I 5 . ? 56.466 36.271 33.947 1.00 0.00 ? 1057 HOH A H2 1 HETATM 2427 O O . HOH I 5 . ? 59.116 33.316 44.831 1.00 20.16 ? 1058 HOH A O 1 HETATM 2428 H H1 . HOH I 5 . ? 60.027 33.033 44.751 1.00 0.00 ? 1058 HOH A H1 1 HETATM 2429 H H2 . HOH I 5 . ? 59.018 33.559 45.752 1.00 0.00 ? 1058 HOH A H2 1 HETATM 2430 O O . HOH I 5 . ? 53.340 14.607 19.073 1.00 30.13 ? 1059 HOH A O 1 HETATM 2431 H H1 . HOH I 5 . ? 54.201 15.026 19.061 1.00 0.00 ? 1059 HOH A H1 1 HETATM 2432 H H2 . HOH I 5 . ? 53.485 13.771 19.516 1.00 0.00 ? 1059 HOH A H2 1 HETATM 2433 O O . HOH I 5 . ? 59.218 30.689 44.089 1.00 20.45 ? 1060 HOH A O 1 HETATM 2434 H H1 . HOH I 5 . ? 58.643 31.386 44.403 1.00 0.00 ? 1060 HOH A H1 1 HETATM 2435 H H2 . HOH I 5 . ? 58.623 30.008 43.773 1.00 0.00 ? 1060 HOH A H2 1 HETATM 2436 O O . HOH I 5 . ? 51.368 21.181 19.904 1.00 19.60 ? 1061 HOH A O 1 HETATM 2437 H H1 . HOH I 5 . ? 51.409 20.385 19.375 1.00 0.00 ? 1061 HOH A H1 1 HETATM 2438 H H2 . HOH I 5 . ? 52.257 21.303 20.234 1.00 0.00 ? 1061 HOH A H2 1 HETATM 2439 O O . HOH I 5 . ? 59.479 32.459 25.817 1.00 22.18 ? 1062 HOH A O 1 HETATM 2440 H H1 . HOH I 5 . ? 59.257 31.533 25.724 1.00 0.00 ? 1062 HOH A H1 1 HETATM 2441 H H2 . HOH I 5 . ? 58.744 32.925 25.419 1.00 0.00 ? 1062 HOH A H2 1 HETATM 2442 O O . HOH I 5 . ? 46.916 13.851 38.047 1.00 17.99 ? 1063 HOH A O 1 HETATM 2443 H H1 . HOH I 5 . ? 46.908 13.391 38.886 1.00 0.00 ? 1063 HOH A H1 1 HETATM 2444 H H2 . HOH I 5 . ? 46.942 14.778 38.283 1.00 0.00 ? 1063 HOH A H2 1 HETATM 2445 O O . HOH I 5 . ? 33.730 31.632 56.351 1.00 18.92 ? 1064 HOH A O 1 HETATM 2446 H H1 . HOH I 5 . ? 34.385 31.690 57.047 1.00 0.00 ? 1064 HOH A H1 1 HETATM 2447 H H2 . HOH I 5 . ? 34.180 31.180 55.637 1.00 0.00 ? 1064 HOH A H2 1 HETATM 2448 O O . HOH I 5 . ? 52.058 20.380 55.866 1.00 22.70 ? 1065 HOH A O 1 HETATM 2449 H H1 . HOH I 5 . ? 51.120 20.463 55.696 1.00 0.00 ? 1065 HOH A H1 1 HETATM 2450 H H2 . HOH I 5 . ? 52.458 21.067 55.332 1.00 0.00 ? 1065 HOH A H2 1 HETATM 2451 O O . HOH I 5 . ? 47.059 36.182 49.837 1.00 22.72 ? 1066 HOH A O 1 HETATM 2452 H H1 . HOH I 5 . ? 47.419 36.649 49.082 1.00 0.00 ? 1066 HOH A H1 1 HETATM 2453 H H2 . HOH I 5 . ? 47.299 35.267 49.690 1.00 0.00 ? 1066 HOH A H2 1 HETATM 2454 O O . HOH I 5 . ? 30.133 36.765 55.880 1.00 44.17 ? 1067 HOH A O 1 HETATM 2455 H H1 . HOH I 5 . ? 30.716 36.703 56.637 1.00 0.00 ? 1067 HOH A H1 1 HETATM 2456 H H2 . HOH I 5 . ? 29.292 37.037 56.248 1.00 0.00 ? 1067 HOH A H2 1 HETATM 2457 O O . HOH I 5 . ? 44.498 19.080 19.736 1.00 27.81 ? 1068 HOH A O 1 HETATM 2458 H H1 . HOH I 5 . ? 43.859 19.299 19.057 1.00 0.00 ? 1068 HOH A H1 1 HETATM 2459 H H2 . HOH I 5 . ? 44.155 19.487 20.531 1.00 0.00 ? 1068 HOH A H2 1 HETATM 2460 O O . HOH I 5 . ? 50.016 36.453 22.550 1.00 22.76 ? 1069 HOH A O 1 HETATM 2461 H H1 . HOH I 5 . ? 49.987 35.506 22.684 1.00 0.00 ? 1069 HOH A H1 1 HETATM 2462 H H2 . HOH I 5 . ? 50.517 36.564 21.741 1.00 0.00 ? 1069 HOH A H2 1 HETATM 2463 O O . HOH I 5 . ? 41.289 40.507 34.617 1.00 35.61 ? 1070 HOH A O 1 HETATM 2464 H H1 . HOH I 5 . ? 40.739 39.836 35.021 1.00 0.00 ? 1070 HOH A H1 1 HETATM 2465 H H2 . HOH I 5 . ? 42.177 40.155 34.677 1.00 0.00 ? 1070 HOH A H2 1 HETATM 2466 O O . HOH I 5 . ? 47.626 13.930 40.717 1.00 23.24 ? 1071 HOH A O 1 HETATM 2467 H H1 . HOH I 5 . ? 47.526 14.433 41.526 1.00 0.00 ? 1071 HOH A H1 1 HETATM 2468 H H2 . HOH I 5 . ? 47.925 14.571 40.073 1.00 0.00 ? 1071 HOH A H2 1 HETATM 2469 O O . HOH I 5 . ? 35.244 41.538 45.092 1.00 27.86 ? 1072 HOH A O 1 HETATM 2470 H H1 . HOH I 5 . ? 34.314 41.738 44.992 1.00 0.00 ? 1072 HOH A H1 1 HETATM 2471 H H2 . HOH I 5 . ? 35.283 40.964 45.858 1.00 0.00 ? 1072 HOH A H2 1 HETATM 2472 O O . HOH I 5 . ? 41.628 22.302 54.637 1.00 43.24 ? 1073 HOH A O 1 HETATM 2473 H H1 . HOH I 5 . ? 41.990 22.366 53.753 1.00 0.00 ? 1073 HOH A H1 1 HETATM 2474 H H2 . HOH I 5 . ? 41.167 23.131 54.766 1.00 0.00 ? 1073 HOH A H2 1 HETATM 2475 O O . HOH I 5 . ? 54.042 24.837 43.737 1.00 28.30 ? 1074 HOH A O 1 HETATM 2476 H H1 . HOH I 5 . ? 53.610 25.104 44.549 1.00 0.00 ? 1074 HOH A H1 1 HETATM 2477 H H2 . HOH I 5 . ? 53.359 24.900 43.070 1.00 0.00 ? 1074 HOH A H2 1 HETATM 2478 O O . HOH I 5 . ? 36.698 31.484 55.786 1.00 20.73 ? 1075 HOH A O 1 HETATM 2479 H H1 . HOH I 5 . ? 37.000 32.154 56.399 1.00 0.00 ? 1075 HOH A H1 1 HETATM 2480 H H2 . HOH I 5 . ? 37.020 31.779 54.933 1.00 0.00 ? 1075 HOH A H2 1 HETATM 2481 O O . HOH I 5 . ? 61.347 23.005 39.246 1.00 32.58 ? 1076 HOH A O 1 HETATM 2482 H H1 . HOH I 5 . ? 61.982 22.742 39.912 1.00 0.00 ? 1076 HOH A H1 1 HETATM 2483 H H2 . HOH I 5 . ? 60.602 23.340 39.746 1.00 0.00 ? 1076 HOH A H2 1 HETATM 2484 O O . HOH I 5 . ? 42.515 16.513 39.168 1.00 19.88 ? 1077 HOH A O 1 HETATM 2485 H H1 . HOH I 5 . ? 42.784 17.429 39.237 1.00 0.00 ? 1077 HOH A H1 1 HETATM 2486 H H2 . HOH I 5 . ? 41.846 16.513 38.483 1.00 0.00 ? 1077 HOH A H2 1 HETATM 2487 O O . HOH I 5 . ? 59.160 24.193 33.209 1.00 24.06 ? 1078 HOH A O 1 HETATM 2488 H H1 . HOH I 5 . ? 58.807 23.589 32.556 1.00 0.00 ? 1078 HOH A H1 1 HETATM 2489 H H2 . HOH I 5 . ? 58.477 24.857 33.309 1.00 0.00 ? 1078 HOH A H2 1 HETATM 2490 O O . HOH I 5 . ? 52.969 32.180 60.802 1.00 29.68 ? 1079 HOH A O 1 HETATM 2491 H H1 . HOH I 5 . ? 53.005 31.647 60.008 1.00 0.00 ? 1079 HOH A H1 1 HETATM 2492 H H2 . HOH I 5 . ? 52.475 31.649 61.428 1.00 0.00 ? 1079 HOH A H2 1 HETATM 2493 O O . HOH I 5 . ? 44.218 20.862 54.323 1.00 41.22 ? 1080 HOH A O 1 HETATM 2494 H H1 . HOH I 5 . ? 44.605 21.731 54.223 1.00 0.00 ? 1080 HOH A H1 1 HETATM 2495 H H2 . HOH I 5 . ? 44.058 20.564 53.427 1.00 0.00 ? 1080 HOH A H2 1 HETATM 2496 O O . HOH I 5 . ? 54.117 14.605 27.397 1.00 30.54 ? 1081 HOH A O 1 HETATM 2497 H H1 . HOH I 5 . ? 53.748 15.375 26.964 1.00 0.00 ? 1081 HOH A H1 1 HETATM 2498 H H2 . HOH I 5 . ? 55.007 14.537 27.051 1.00 0.00 ? 1081 HOH A H2 1 HETATM 2499 O O . HOH I 5 . ? 40.633 28.082 19.634 1.00 23.63 ? 1082 HOH A O 1 HETATM 2500 H H1 . HOH I 5 . ? 39.850 28.369 20.105 1.00 0.00 ? 1082 HOH A H1 1 HETATM 2501 H H2 . HOH I 5 . ? 41.169 28.871 19.558 1.00 0.00 ? 1082 HOH A H2 1 HETATM 2502 O O . HOH I 5 . ? 52.283 29.655 60.931 1.00 28.66 ? 1083 HOH A O 1 HETATM 2503 H H1 . HOH I 5 . ? 51.994 29.356 61.794 1.00 0.00 ? 1083 HOH A H1 1 HETATM 2504 H H2 . HOH I 5 . ? 51.773 29.134 60.312 1.00 0.00 ? 1083 HOH A H2 1 HETATM 2505 O O . HOH I 5 . ? 35.698 15.826 28.411 1.00 42.46 ? 1084 HOH A O 1 HETATM 2506 H H1 . HOH I 5 . ? 35.313 16.662 28.674 1.00 0.00 ? 1084 HOH A H1 1 HETATM 2507 H H2 . HOH I 5 . ? 35.138 15.517 27.699 1.00 0.00 ? 1084 HOH A H2 1 HETATM 2508 O O . HOH I 5 . ? 28.760 22.229 31.834 1.00 21.74 ? 1085 HOH A O 1 HETATM 2509 H H1 . HOH I 5 . ? 28.228 22.739 31.223 1.00 0.00 ? 1085 HOH A H1 1 HETATM 2510 H H2 . HOH I 5 . ? 29.635 22.611 31.765 1.00 0.00 ? 1085 HOH A H2 1 HETATM 2511 O O . HOH I 5 . ? 35.908 35.594 32.573 1.00 26.82 ? 1086 HOH A O 1 HETATM 2512 H H1 . HOH I 5 . ? 36.320 35.129 33.301 1.00 0.00 ? 1086 HOH A H1 1 HETATM 2513 H H2 . HOH I 5 . ? 35.962 34.984 31.837 1.00 0.00 ? 1086 HOH A H2 1 HETATM 2514 O O . HOH I 5 . ? 51.933 8.652 18.812 1.00 33.16 ? 1087 HOH A O 1 HETATM 2515 H H1 . HOH I 5 . ? 52.488 8.635 19.592 1.00 0.00 ? 1087 HOH A H1 1 HETATM 2516 H H2 . HOH I 5 . ? 52.541 8.531 18.084 1.00 0.00 ? 1087 HOH A H2 1 HETATM 2517 O O . HOH I 5 . ? 32.392 36.101 54.689 1.00 24.83 ? 1088 HOH A O 1 HETATM 2518 H H1 . HOH I 5 . ? 32.048 35.222 54.849 1.00 0.00 ? 1088 HOH A H1 1 HETATM 2519 H H2 . HOH I 5 . ? 33.318 35.965 54.488 1.00 0.00 ? 1088 HOH A H2 1 HETATM 2520 O O . HOH I 5 . ? 60.179 30.830 19.116 1.00 35.74 ? 1089 HOH A O 1 HETATM 2521 H H1 . HOH I 5 . ? 60.215 30.206 19.842 1.00 0.00 ? 1089 HOH A H1 1 HETATM 2522 H H2 . HOH I 5 . ? 59.254 30.858 18.873 1.00 0.00 ? 1089 HOH A H2 1 HETATM 2523 O O . HOH I 5 . ? 47.999 35.341 37.577 1.00 85.64 ? 1090 HOH A O 1 HETATM 2524 H H1 . HOH I 5 . ? 47.851 34.725 38.293 1.00 0.00 ? 1090 HOH A H1 1 HETATM 2525 H H2 . HOH I 5 . ? 48.761 35.858 37.837 1.00 0.00 ? 1090 HOH A H2 1 HETATM 2526 O O . HOH I 5 . ? 33.806 19.552 43.491 1.00 41.04 ? 1091 HOH A O 1 HETATM 2527 H H1 . HOH I 5 . ? 33.423 19.714 44.353 1.00 0.00 ? 1091 HOH A H1 1 HETATM 2528 H H2 . HOH I 5 . ? 33.193 19.957 42.877 1.00 0.00 ? 1091 HOH A H2 1 HETATM 2529 O O . HOH I 5 . ? 51.156 23.020 11.250 1.00 32.27 ? 1092 HOH A O 1 HETATM 2530 H H1 . HOH I 5 . ? 50.999 23.607 11.990 1.00 0.00 ? 1092 HOH A H1 1 HETATM 2531 H H2 . HOH I 5 . ? 50.597 23.362 10.551 1.00 0.00 ? 1092 HOH A H2 1 HETATM 2532 O O . HOH I 5 . ? 58.083 26.497 38.337 1.00 28.90 ? 1093 HOH A O 1 HETATM 2533 H H1 . HOH I 5 . ? 57.244 26.780 37.974 1.00 0.00 ? 1093 HOH A H1 1 HETATM 2534 H H2 . HOH I 5 . ? 57.853 25.798 38.951 1.00 0.00 ? 1093 HOH A H2 1 HETATM 2535 O O . HOH I 5 . ? 69.964 13.137 57.155 1.00 43.54 ? 1094 HOH A O 1 HETATM 2536 H H1 . HOH I 5 . ? 69.377 13.893 57.128 1.00 0.00 ? 1094 HOH A H1 1 HETATM 2537 H H2 . HOH I 5 . ? 69.398 12.386 56.977 1.00 0.00 ? 1094 HOH A H2 1 HETATM 2538 O O . HOH I 5 . ? 58.334 23.723 38.303 1.00 35.06 ? 1095 HOH A O 1 HETATM 2539 H H1 . HOH I 5 . ? 57.550 23.704 37.754 1.00 0.00 ? 1095 HOH A H1 1 HETATM 2540 H H2 . HOH I 5 . ? 58.053 24.162 39.105 1.00 0.00 ? 1095 HOH A H2 1 HETATM 2541 O O . HOH I 5 . ? 36.865 13.331 39.803 1.00 41.55 ? 1096 HOH A O 1 HETATM 2542 H H1 . HOH I 5 . ? 36.699 12.887 40.635 1.00 0.00 ? 1096 HOH A H1 1 HETATM 2543 H H2 . HOH I 5 . ? 37.784 13.595 39.853 1.00 0.00 ? 1096 HOH A H2 1 HETATM 2544 O O . HOH I 5 . ? 26.102 27.434 33.574 1.00 28.46 ? 1097 HOH A O 1 HETATM 2545 H H1 . HOH I 5 . ? 26.868 27.996 33.683 1.00 0.00 ? 1097 HOH A H1 1 HETATM 2546 H H2 . HOH I 5 . ? 26.127 26.847 34.331 1.00 0.00 ? 1097 HOH A H2 1 HETATM 2547 O O . HOH I 5 . ? 42.837 17.352 52.756 1.00 40.21 ? 1098 HOH A O 1 HETATM 2548 H H1 . HOH I 5 . ? 43.667 16.968 52.475 1.00 0.00 ? 1098 HOH A H1 1 HETATM 2549 H H2 . HOH I 5 . ? 42.290 17.341 51.970 1.00 0.00 ? 1098 HOH A H2 1 HETATM 2550 O O . HOH I 5 . ? 44.783 42.604 43.324 1.00 33.39 ? 1099 HOH A O 1 HETATM 2551 H H1 . HOH I 5 . ? 44.043 42.516 43.926 1.00 0.00 ? 1099 HOH A H1 1 HETATM 2552 H H2 . HOH I 5 . ? 45.152 41.722 43.267 1.00 0.00 ? 1099 HOH A H2 1 HETATM 2553 O O . HOH I 5 . ? 36.506 21.544 48.391 1.00 32.30 ? 1100 HOH A O 1 HETATM 2554 H H1 . HOH I 5 . ? 35.698 21.801 48.836 1.00 0.00 ? 1100 HOH A H1 1 HETATM 2555 H H2 . HOH I 5 . ? 36.773 22.328 47.910 1.00 0.00 ? 1100 HOH A H2 1 HETATM 2556 O O . HOH I 5 . ? 53.341 19.411 12.363 1.00 38.53 ? 1101 HOH A O 1 HETATM 2557 H H1 . HOH I 5 . ? 53.042 19.433 13.273 1.00 0.00 ? 1101 HOH A H1 1 HETATM 2558 H H2 . HOH I 5 . ? 54.256 19.689 12.405 1.00 0.00 ? 1101 HOH A H2 1 HETATM 2559 O O . HOH I 5 . ? 58.834 20.889 30.667 1.00 26.59 ? 1102 HOH A O 1 HETATM 2560 H H1 . HOH I 5 . ? 58.219 20.480 31.275 1.00 0.00 ? 1102 HOH A H1 1 HETATM 2561 H H2 . HOH I 5 . ? 58.821 21.818 30.899 1.00 0.00 ? 1102 HOH A H2 1 HETATM 2562 O O . HOH I 5 . ? 39.660 14.787 38.943 1.00 46.82 ? 1103 HOH A O 1 HETATM 2563 H H1 . HOH I 5 . ? 40.056 15.559 39.348 1.00 0.00 ? 1103 HOH A H1 1 HETATM 2564 H H2 . HOH I 5 . ? 39.050 14.456 39.602 1.00 0.00 ? 1103 HOH A H2 1 HETATM 2565 O O . HOH I 5 . ? 31.379 34.687 27.324 1.00 40.46 ? 1104 HOH A O 1 HETATM 2566 H H1 . HOH I 5 . ? 31.350 34.032 28.022 1.00 0.00 ? 1104 HOH A H1 1 HETATM 2567 H H2 . HOH I 5 . ? 31.760 34.224 26.578 1.00 0.00 ? 1104 HOH A H2 1 HETATM 2568 O O . HOH I 5 . ? 57.625 36.349 42.866 1.00 61.95 ? 1105 HOH A O 1 HETATM 2569 H H1 . HOH I 5 . ? 57.059 36.177 43.619 1.00 0.00 ? 1105 HOH A H1 1 HETATM 2570 H H2 . HOH I 5 . ? 58.441 35.892 43.072 1.00 0.00 ? 1105 HOH A H2 1 HETATM 2571 O O . HOH I 5 . ? 38.378 16.038 41.897 1.00 35.55 ? 1106 HOH A O 1 HETATM 2572 H H1 . HOH I 5 . ? 38.534 16.016 42.841 1.00 0.00 ? 1106 HOH A H1 1 HETATM 2573 H H2 . HOH I 5 . ? 39.211 16.331 41.527 1.00 0.00 ? 1106 HOH A H2 1 HETATM 2574 O O . HOH I 5 . ? 29.906 24.062 47.842 1.00 47.02 ? 1107 HOH A O 1 HETATM 2575 H H1 . HOH I 5 . ? 29.099 24.559 47.703 1.00 0.00 ? 1107 HOH A H1 1 HETATM 2576 H H2 . HOH I 5 . ? 30.483 24.668 48.307 1.00 0.00 ? 1107 HOH A H2 1 HETATM 2577 O O . HOH I 5 . ? 53.190 18.200 37.357 1.00 23.55 ? 1108 HOH A O 1 HETATM 2578 H H1 . HOH I 5 . ? 54.132 18.214 37.191 1.00 0.00 ? 1108 HOH A H1 1 HETATM 2579 H H2 . HOH I 5 . ? 52.905 19.098 37.184 1.00 0.00 ? 1108 HOH A H2 1 HETATM 2580 O O . HOH I 5 . ? 56.048 17.298 37.508 1.00 46.74 ? 1109 HOH A O 1 HETATM 2581 H H1 . HOH I 5 . ? 55.518 17.820 36.906 1.00 0.00 ? 1109 HOH A H1 1 HETATM 2582 H H2 . HOH I 5 . ? 55.545 17.286 38.322 1.00 0.00 ? 1109 HOH A H2 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 # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1001 1001 NAG NAG A . C 2 NAG 2 1003 1003 NAG NAG A . D 3 BMA 3 1004 1004 BMA MAN A . E 4 MAN 4 1005 1005 MAN MAN A . F 4 MAN 5 1006 1006 MAN MAN A . G 4 MAN 6 1007 1007 MAN MAN A . H 2 NAG 1 1002 1002 NAG NAG A . I 5 HOH 1 1008 1 HOH HOH A . I 5 HOH 2 1009 2 HOH HOH A . I 5 HOH 3 1010 3 HOH HOH A . I 5 HOH 4 1011 4 HOH HOH A . I 5 HOH 5 1012 5 HOH HOH A . I 5 HOH 6 1013 6 HOH HOH A . I 5 HOH 7 1014 7 HOH HOH A . I 5 HOH 8 1015 8 HOH HOH A . I 5 HOH 9 1016 9 HOH HOH A . I 5 HOH 10 1017 10 HOH HOH A . I 5 HOH 11 1018 11 HOH HOH A . I 5 HOH 12 1019 12 HOH HOH A . I 5 HOH 13 1020 13 HOH HOH A . I 5 HOH 14 1021 14 HOH HOH A . I 5 HOH 15 1022 15 HOH HOH A . I 5 HOH 16 1023 16 HOH HOH A . I 5 HOH 17 1024 17 HOH HOH A . I 5 HOH 18 1025 18 HOH HOH A . I 5 HOH 19 1026 19 HOH HOH A . I 5 HOH 20 1027 20 HOH HOH A . I 5 HOH 21 1028 21 HOH HOH A . I 5 HOH 22 1029 22 HOH HOH A . I 5 HOH 23 1030 23 HOH HOH A . I 5 HOH 24 1031 24 HOH HOH A . I 5 HOH 25 1032 25 HOH HOH A . I 5 HOH 26 1033 26 HOH HOH A . I 5 HOH 27 1034 27 HOH HOH A . I 5 HOH 28 1035 28 HOH HOH A . I 5 HOH 29 1036 29 HOH HOH A . I 5 HOH 30 1037 30 HOH HOH A . I 5 HOH 31 1038 31 HOH HOH A . I 5 HOH 32 1039 32 HOH HOH A . I 5 HOH 33 1040 33 HOH HOH A . I 5 HOH 34 1041 34 HOH HOH A . I 5 HOH 35 1042 35 HOH HOH A . I 5 HOH 36 1043 36 HOH HOH A . I 5 HOH 37 1044 37 HOH HOH A . I 5 HOH 38 1045 38 HOH HOH A . I 5 HOH 39 1046 39 HOH HOH A . I 5 HOH 40 1047 40 HOH HOH A . I 5 HOH 41 1048 41 HOH HOH A . I 5 HOH 42 1049 42 HOH HOH A . I 5 HOH 43 1050 43 HOH HOH A . I 5 HOH 44 1051 44 HOH HOH A . I 5 HOH 45 1052 45 HOH HOH A . I 5 HOH 46 1053 46 HOH HOH A . I 5 HOH 47 1054 47 HOH HOH A . I 5 HOH 48 1055 48 HOH HOH A . I 5 HOH 49 1056 49 HOH HOH A . I 5 HOH 50 1057 50 HOH HOH A . I 5 HOH 51 1058 51 HOH HOH A . I 5 HOH 52 1059 52 HOH HOH A . I 5 HOH 53 1060 53 HOH HOH A . I 5 HOH 54 1061 54 HOH HOH A . I 5 HOH 55 1062 55 HOH HOH A . I 5 HOH 56 1063 56 HOH HOH A . I 5 HOH 57 1064 57 HOH HOH A . I 5 HOH 58 1065 58 HOH HOH A . I 5 HOH 59 1066 59 HOH HOH A . I 5 HOH 60 1067 60 HOH HOH A . I 5 HOH 61 1068 61 HOH HOH A . I 5 HOH 62 1069 62 HOH HOH A . I 5 HOH 63 1070 63 HOH HOH A . I 5 HOH 64 1071 64 HOH HOH A . I 5 HOH 65 1072 65 HOH HOH A . I 5 HOH 66 1073 66 HOH HOH A . I 5 HOH 67 1074 67 HOH HOH A . I 5 HOH 68 1075 68 HOH HOH A . I 5 HOH 69 1076 69 HOH HOH A . I 5 HOH 70 1077 70 HOH HOH A . I 5 HOH 71 1078 71 HOH HOH A . I 5 HOH 72 1079 72 HOH HOH A . I 5 HOH 73 1080 73 HOH HOH A . I 5 HOH 74 1081 74 HOH HOH A . I 5 HOH 75 1082 75 HOH HOH A . I 5 HOH 76 1083 76 HOH HOH A . I 5 HOH 77 1084 77 HOH HOH A . I 5 HOH 78 1085 78 HOH HOH A . I 5 HOH 79 1086 79 HOH HOH A . I 5 HOH 80 1087 80 HOH HOH A . I 5 HOH 81 1088 81 HOH HOH A . I 5 HOH 82 1089 82 HOH HOH A . I 5 HOH 83 1090 83 HOH HOH A . I 5 HOH 84 1091 84 HOH HOH A . I 5 HOH 85 1092 85 HOH HOH A . I 5 HOH 86 1093 86 HOH HOH A . I 5 HOH 87 1094 87 HOH HOH A . I 5 HOH 88 1095 88 HOH HOH A . I 5 HOH 89 1096 89 HOH HOH A . I 5 HOH 90 1097 90 HOH HOH A . I 5 HOH 91 1098 91 HOH HOH A . I 5 HOH 92 1099 92 HOH HOH A . I 5 HOH 93 1100 93 HOH HOH A . I 5 HOH 94 1101 94 HOH HOH A . I 5 HOH 95 1102 95 HOH HOH A . I 5 HOH 96 1103 96 HOH HOH A . I 5 HOH 97 1104 97 HOH HOH A . I 5 HOH 98 1105 98 HOH HOH A . I 5 HOH 99 1106 99 HOH HOH A . I 5 HOH 100 1107 100 HOH HOH A . I 5 HOH 101 1108 101 HOH HOH A . I 5 HOH 102 1109 102 HOH HOH A . # 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' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_defined_assembly _pdbx_struct_assembly.method_details ? _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I # _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 2000-04-26 2 'Structure model' 1 1 2008-04-27 3 'Structure model' 1 2 2011-07-13 4 'Structure model' 1 3 2017-10-04 # _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 ROTAVATA 'data reduction' . ? 1 MLPHARE phasing . ? 2 X-PLOR refinement 3.851 ? 3 CCP4 'data scaling' '(AGROVATA' ? 4 ROTAVATA 'data scaling' . ? 5 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 O6 A BMA 1004 ? ? H1 A MAN 1005 ? ? 0.97 2 1 O3 A MAN 1005 ? ? H1 A MAN 1007 ? ? 0.99 3 1 O6 A MAN 1005 ? ? H1 A MAN 1006 ? ? 1.03 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 H2 A HOH 1012 ? ? 1_555 H1 A HOH 1017 ? ? 2_665 1.32 2 1 HZ3 A LYS 210 ? ? 1_555 O2 A MAN 1006 ? ? 3_756 1.50 # 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 ? ? -113.64 -155.62 2 1 SER A 18 ? ? 38.32 54.52 3 1 ASN A 137 ? ? -38.39 105.20 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 BETA-D-MANNOSE BMA 4 ALPHA-D-MANNOSE MAN 5 water HOH #